JP5169225B2 - COMPOSITE MATERIAL MODEL CREATION DEVICE, SIMULATION DEVICE, COMPOSITE MATERIAL MODEL CREATION PROGRAM, AND COMPOSITE MATERIAL MODEL CREATION DEVICE OPERATION METHOD - Google Patents

Description

The present invention relates to a composite material model creation device that creates a composite material model of a composite material in which particles are dispersed in a matrix material, a simulation device that performs simulation of the composite material, a composite material model creation program, and a composite material model creation device. It relates to the operation method.

  Recently, various dynamic simulations of composite materials using the finite element method have been proposed. In particular, it has been proposed to simulate the mechanical properties such as the modulus and viscoelastic properties of a compound in which a reinforcing material (hereinafter referred to as filler) such as carbon black or silica is dispersed in a matrix material such as rubber. .

When creating a computable simulation model used for the above simulation, the viscoelastic properties and other results obtained by the simulation are affected by the position of the filler model. There is a need to. However, the filler position information necessary for creating this model is three-dimensional information, and it is extremely difficult to accurately acquire the position information of each filler.
On the other hand, in order to reproduce the distributed arrangement of fillers, it is also conceivable to set fillers randomly arranged using uniform random numbers. Thereby, a model of the composite material in which the filler is uniformly dispersed is generated, but the uniform random dispersion arrangement of the filler does not necessarily reproduce viscoelastic characteristics and the like well.
On the other hand, in order to reproduce the dispersed arrangement of fillers, it may be possible to determine the position of the filler based on the experience of the simulation operator, but abundant experience of the operator is required. Moreover, even if the filler dispersive arrangement is set by the operator, it is extremely difficult to reproduce the actual arrangement.

In the following Patent Document 1, a method for simulating the interaction between fillers is disclosed. The gazette calculates the total potential energy between the fillers, but does not mention how to disperse the fillers.
Thus, it is difficult to reproduce the state in which fillers are dispersedly arranged in the matrix material at present without relying on the operator's hands and without obtaining filler position information, and therefore the filler is dispersed in the matrix material. It is unclear how to effectively model the placed composite material.

JP 2005-208930 A

Therefore, in order to solve the above-described conventional problems, the present invention provides an operation method of a composite material model creation apparatus that effectively creates a composite material model in which particles are dispersed in a matrix material, a composite material model creation apparatus, It is another object of the present invention to provide a composite material model program and a simulation apparatus that obtains a simulation model from the created composite material model and performs simulation.

The present invention is an apparatus for creating a composite material model that creates a model of a composite material in which particles are dispersed in a matrix material. When two particle models are arranged in a matrix material model, a virtual model created by the two particle models is provided. A potential is set, and further, a first means for creating a composite material model in which a plurality of particle models are arranged in a matrix material model, and a value of a virtual potential acting between the plurality of particle models are totaled to obtain a total potential A second means for calculating an energy value; a third means for temporarily moving at least one particle model of the plurality of particle models; and calculating a value of total potential energy after the temporary movement; Compare the value of the total potential energy before temporary movement of the particle model with the value of the total potential energy after temporary movement, When the value of the total potential energy after the movement is lower than the value of the total potential energy before the temporary movement, the provisional movement is determined as the main movement of the particle model, and a modified composite material model is generated by correcting the arrangement of the particle model. and fourth means, have a, and control means for controlling said first to fourth means, said third means and the fourth means further the modification generated by the fourth means The control means performs the calculation of the total potential energy value before and after the temporary movement and the comparison with respect to the composite material model so as to further correct the corrected composite material model. Means and the fourth means, wherein the fourth means determines that the temporary movement of the particle model is the main movement, the distance between the models of the particle model is equal to or less than a predetermined distance. It obtains the size of the cluster when it is cross-sectional, when satisfying this magnitude is predetermined to output to end the correction of the layout of the particle model in the composite material model as the final composite material model An apparatus for creating a characteristic composite material model is provided.

The virtual potential is preferably a dipole potential based on the dipole moment when a charge value or a magnetic dipole moment value of 1 unit is given to the particle model.
At this time, it is preferable that the third means temporarily changes the direction of the particle model determined by the dipole moment in addition to the temporary movement of the position of the particle model.
The particle model has a direction, and the virtual potential is a potential generated depending on the position and direction of two particle models, and the particle model is an aggregate of a plurality of particles. The aggregate of the plurality of particles has a directionality characterized by a predetermined direction, and it is more preferable that this direction is used as the direction of the particle model.
In addition, it is preferable that the third means temporarily changes the direction of the particle model in addition to the temporary movement of the position of the particle model. The edge shape of the particle model is preferably represented by a shape function, and the area or volume of the particle model has a value that substantially matches the area or volume of an aggregate of a plurality of particles represented by the particle model. Is preferred.

In the fourth means, the value of the total potential energy after temporary movement is lower than the value of the total potential energy before temporary movement, and the area or volume occupied by all the particle models after temporary movement is When the particle model before the temporary movement substantially occupies the area or volume occupied by the particle model, the temporary movement is preferably set as the main movement.
In the fourth means, the value of the total potential energy after provisional movement is lower than the value of the total potential energy before provisional movement, and whether or not the shape functions overlap between the particle models after provisional movement. When there is no overlap, it is preferable that the temporary movement is the main movement.
The fourth means preferably further creates the final composite material model by replacing each of the plurality of particle models whose arrangement has been corrected with a model of a plurality of particle aggregates. .

  Furthermore, the present invention provides the first means, the second means, the third means, the fourth means, the control means, and the fourth means generated in the composite material model creation apparatus. When the corrected composite material model satisfying a predetermined condition, the corrected composite material model at this time is determined as the final composite material model, and the position of the particle model in the final composite material model is determined as the dispersion of the particles A model that reproduces the composite material in which the particles are arranged at the dispersed positions and that is divided into a plurality of computable elements to create a composite material simulation model, There is provided a simulation apparatus characterized by comprising:

At that time, it is preferable that the fifth means further calculates the deformation simulation by giving boundary conditions and load conditions or forced displacement conditions to the created composite material simulation model.
In that case, it is preferable that the boundary condition is a cyclic symmetry condition that allows relative displacement of edges on both sides of the composite material simulation model so that the composite material simulation model is continuously connected.

Furthermore, the present invention is a simulation model creation program for causing a computer to create a simulation model of a composite material in which particles are dispersed in a matrix material. When two particle models are arranged in a matrix material model, the two particle models are provided. A first procedure for causing a computer to create a composite material model in which a plurality of particle models are arranged in a matrix material model and storing the composite material model in a computer storage means; For the composite material model stored in the storage means of the second procedure for causing the calculation means to calculate the value of the total potential energy by summing the values of the virtual potential acting between the plurality of particle models, A small number of the plurality of particle models A third procedure in which at least one particle model is temporarily moved to the calculation means, and the value of the total potential energy after the temporary movement is calculated by the calculation means; and the total potential energy of the particle model before the temporary movement is calculated. When the value of the total potential energy after the temporary movement is lower than the value of the total potential energy before the temporary movement, the temporary movement is determined. possess a fourth procedure for storing the corrected composite model which allowed set to the arithmetic unit as the movement of the particles model was modified arrangement of particles model in the storage means, a modified composite model of the arrangement In contrast, the temporary movement, the calculation of the total potential energy after the temporary movement and the comparison are performed, and the modified composite material model is generated. When the third procedure and the fourth procedure are controlled by a control means of a computer, and the temporary movement of the particle model is determined as the main movement in the fourth procedure, the inter-model distance of the particle model is a predetermined distance or less. The calculation means determines the size of the cluster when it is determined to be a cluster, and when the size satisfies a predetermined condition, the calculation of the arrangement of the particle model in the composite material model is performed. Provided is a composite material model creation program characterized in that the means is terminated and determined as a final composite material model .

The virtual potential is preferably a dipole potential based on the dipole moment when a charge unit or a magnetic dipole moment value of one unit is given to the particle model.
At that time, in the third procedure, it is preferable to temporarily change the direction of the particle model determined by the dipole moment in addition to the temporary movement of the position of the particle model.
The particle model has a direction, and the virtual potential is a potential generated depending on the position and direction of two particle models, and the particle model is an aggregate of a plurality of particles. The aggregate of the plurality of particles has a directionality characterized by a predetermined direction, and it is more preferable that this direction is used as the direction of the particle model.
At that time, in the third procedure, it is preferable to temporarily change the orientation of the particle model in addition to the temporary movement of the position of the particle model.

Further, the present invention includes a CPU, comprising: a memory, an input operation system, a method of operating a producing apparatus of a composite material model to create a model of the composite material particles are dispersed in a matrix material, said CPU When two particle models are arranged in the matrix material model based on the conditions input by the operator via the input operation system, the virtual potential created by the two particle models is set and the matrix material model A first step of creating a composite material model in which a plurality of particle models are arranged; a second step of calculating a value of total potential energy by summing values of virtual potentials acting between the particle models; Tentatively move at least one of the particle models, and the total potential energy after this tentative movement The value of the total potential energy after the temporary movement is compared with the value of the total potential energy before the temporary movement of the particle model and the value of the total potential energy after the temporary movement. When the total potential energy value before the temporary movement is low, a modified composite material model in which the temporary movement is determined as the main movement of the particle model and the arrangement of the particle model is corrected is generated and stored in the memory And calculating the value of the total potential energy before the temporary movement and after the temporary movement and performing the comparison on the corrected composite material model generated in the fourth step. The third step and the fourth step are repeated so as to further modify the composite material model, and the fourth step includes a temporary movement of the particle model. When the movement is determined, the size of the cluster is determined when the distance between the models of the particle model is determined to be a cluster by a predetermined distance or less, and when the size satisfies a predetermined condition, the composite material model Finishing the modification of the arrangement of the particle model and outputting as a final composite material model, and the virtual potential includes a dipole potential obtained by adding a charge value or a magnetic dipole moment value to the particle model. The operation method of the composite material model creation apparatus characterized by the above is provided.

At this time, in the third step, it is preferable to temporarily change the direction of the particle model determined by the dipole moment in addition to the temporary movement of the position of the particle model.
The particle model has an orientation, and the virtual potential is a potential created depending on the position and orientation of two particle models, and the particle model represents an aggregate of a plurality of particles as one model. The aggregate of the plurality of particles has a directionality characterized in a predetermined direction, and this direction is preferably used as the direction of the particle model.
In the third step, it is preferable to temporarily change the orientation of the particle model in addition to the temporary movement of the position of the particle model.

In the present invention, when two particle models are arranged in the matrix material model, a virtual potential created by the two particle models is set, and the value of the total potential energy before and after the temporary movement of at least one particle model is calculated. By comparing, the provisional movement is determined as the main movement in accordance with the comparison result, and the corrected composite material model is generated. Therefore, the composite material model can be effectively created.
In particular, by defining a dipole potential based on a dipole moment as a virtual potential, it is possible to reproduce a state in which carbon black is dispersed in an actual rubber matrix.

Hereinafter, based on embodiments shown in the accompanying drawings, a composite material model creation apparatus, a simulation apparatus, a composite material model creation program, and an operation method of the composite material model creation apparatus of the present invention will be described in detail.

FIG. 1 is a schematic configuration diagram of an apparatus for carrying out a composite material model creation method according to an embodiment of the composite material model creation apparatus and simulation apparatus of the present invention.
A composite material model creation device (hereinafter referred to as creation device) 10 shown in FIG. 1 is a device that functions by reading a program into a computer and executing it, and creates a simulation model of a composite material in which particles are dispersed in a matrix material. And a device for performing simulation.

The creation device 10 includes a CPU 12, a memory 14, an I / O interface 16, a ROM (not shown), and the like. By executing a predetermined program, a condition setting unit 18, a total potential energy calculation unit 20, temporary movement information The setting unit 22, the initial / corrected model generation unit 24, the finite element model generation unit 26, the simulation calculation unit 28, and the data processing control unit 30 are generated and configured as a program module 32.
The creation apparatus 10 is connected to an input operation system 40 such as a mouse and a keyboard, a display 50, and a printer 60 via an I / O interface 16. Further, although not shown, it is connected to a reading / writing device that appropriately reads and writes a recording medium such as a CD or a DVD.

The general function of the production apparatus 10 will be described. A composite material model that reproduces a state in which fillers (including aggregates of fillers) such as carbon black and silica are dispersed in a matrix material such as rubber is determined. This is a device that creates a simulation model of a composite material using position information of the filler model in, and performs a simulation using a finite element method or the like to obtain mechanical properties such as viscoelastic properties of the composite material. Specifically, first, a compound model (composite material model) is created in which a plurality of filler models (particle models) are randomly arranged in a rubber model (matrix material model). On the other hand, a virtual potential created by two filler particle models is set, and the value of the total potential energy is calculated by summing the values of the virtual potential acting between the plurality of filler models. Next, the position of at least one particle model is temporarily moved, and the value of the total potential energy after this temporary movement is calculated. After this, the value of the total potential energy before the temporary movement of the filler model is compared with the value of the total potential energy after the temporary movement, and the value of the total potential energy after the temporary movement is the value of the total potential energy before the temporary movement. When the value is lower than, the provisional movement is determined as the main movement of the filler model, and a corrected composite material model in which the position of the filler model is corrected is generated. The temporary movement is repeated, and when the filler model satisfies a predetermined end determination condition, the position of the filler model is determined as the final compound model. Based on the position of the filler model, a simulation model capable of executing the compound using the finite element method is created, and mechanical characteristics such as modulus and viscoelastic characteristics are obtained.
The compound model is a model configured by arranging, for example, a circular filler model in a rubber model in a certain region.

The condition setting unit 18 of the creating apparatus 10 is a part for setting various conditions for creating a compound model and various conditions for creating and executing a simulation model based on the finite element method. Conditions are set by an operator using the input operation system 40 while viewing the input setting screen displayed on the display 50.
Items to be set as conditions for creating a compound model include the number and diameter (diameter) of filler models to be placed in the compound model, the initial placement method of the filler model, the size of the system of the compound model, the thermodynamic temperature of the system, The virtual potential type, the reference movement amount for temporary movement of the filler model, the overlap determination condition and the overlap determination method for adjusting the overlap of the temporary movement of the filler model, and the end determination condition of the temporary movement are exemplified.
Items to be set as conditions for creating and executing a simulation model based on the finite element method include the number of mesh divisions of the finite element model, material constants, boundary conditions, external force or forced displacement for simulation, etc. .

  Based on the position of the filler model currently arranged in the compound model, the total potential energy calculation unit 20 calculates the total potential energy obtained by summing up the values of the virtual potential that the filler model acts on according to the type of the set virtual potential. This is the part to calculate. Details will be described in a compound model creation method described below.

  The temporary movement information setting unit 22 is a part that selects at least one filler model currently arranged in the compound model and generates temporary movement information using the set reference movement amount. The set temporary movement information is provided to the initial / corrected model generation unit 24. The details of setting temporary movement information will be described later.

  The initial / corrected model generation unit 24 uses the set initial placement method (for example, a placement method using uniform random numbers) for the number of the set filler models to perform initial placement of the filler models having the set diameter. Furthermore, the temporary movement is performed based on the temporary movement information set by the temporary movement information setting unit 22 for the filler model selected from the plurality of arranged filler models. Furthermore, when creating a second compound model to be described later, the initial / corrected model generation unit 24 adjusts the overlap between filler models when an overlap occurs between filler models during temporary movement. Further, when the temporary movement is completed and the position of the filler model is determined, the filler model is replaced as necessary.

  The finite element model creation unit 26 creates and sets a compound model based on the finite element method that can be simulated using the positional information of the filler model when the final compound model is determined by repeatedly performing temporary movement. This is a part for performing a simulation calculation by applying a set external force or a forced displacement under the boundary conditions. For example, results such as viscoelastic characteristics are output to the display 50 and the printer 60.

The data processing control unit 30 executes the condition setting unit 18, the total potential energy calculation unit 20, the temporary movement information setting unit 22, the initial / corrected model generation unit 24, the finite element model creation unit 26, and the simulation calculation unit 28. The part to control.
For example, for the compound model in which the initial / corrected model generation unit 24 has temporarily moved the filler model, the total potential energy calculation unit 20 instructs the total potential energy value to be calculated. Comparing the value of the total potential energy before provisional movement with the value of the total potential energy after provisional movement, and when the value of the total potential energy after provisional movement is lower than the value of the total potential energy before provisional movement, The temporary movement is determined as the main movement of the filler model, and the initial / corrected model generation unit 24 is instructed to generate a corrected compound model in which the position of the filler model is corrected. In addition, even when the value of the total potential energy after temporary movement is not lower than the value of the total potential energy before temporary movement, a corrected compound model in which the position of the filler model is corrected is generated with a predetermined probability. The initial / corrected model generation unit 24 is instructed.

Further, the data processing control unit 30 determines whether or not the corrected compound model satisfies a predetermined end determination condition. If the predetermined compound determination condition is satisfied, the data processing control unit 30 ends the repetitive temporary movement process and finishes the compound model. Control to determine. The determined compound model information is controlled to be stored in the memory 14. For example, as described later, the end determination condition includes whether or not the size of the cluster created by the filler model is equal to or smaller than a predetermined size, and the value of the total potential energy after provisional movement is included in a predetermined range. Or not.
In this manner, the data processing control unit 30 is a part that determines the data processing result by the sequential processing modularized by the program, and further generates various instruction commands according to the determination result. A typical process is executed by the CPU 12.

  Hereinafter, a method for creating the first compound model in the creating apparatus 10 will be described in detail. FIG. 2 is a flowchart for explaining the flow of an example of a method for creating the first compound model.

First, in the condition setting unit 18, various conditions are set by input by an operator (step S100).
As described above, the conditions are various conditions for creating a compound model and various conditions for creating and executing a simulation model based on the finite element method. For example, the number and diameter of the filler model, the initial placement method of the filler model, the size of the system of the compound model, the thermodynamic temperature of the system, the type of virtual potential, the reference movement amount for temporary movement of the filler model, and the temporary movement An end determination condition is listed. Further, the number of mesh divisions of the finite element model, material characteristics, boundary conditions, external force for simulation, forced displacement, and the like can be given.

Next, in the initial / corrected model generation unit 24, the filler model is randomly arranged in the rubber model (step S110). FIG. 3A shows an example of a compound model 74 in which 100 filler models (● in the figure) 72 are randomly arranged in a two-dimensional rubber model 70. The filler model 72 has a circular shape, and the rubber model 70 has a square shape. The diameter of the filler model 72 and the size of the compound model 74 in FIG. The length of the direction is based on the set condition.
The random arrangement of the filler model 72 in the rubber model 70 is such that the square sides of the rubber model 70 are orthogonal to the x-axis and y-axis, the length of each side of the square shape is 1, and the CPU 12 has 0 to 1. Two random numbers are generated in a range between them, and the values of the two random numbers are mapped as x-coordinate and y-coordinate to a square area of the rubber model 70.

Next, the total potential energy calculation unit 20 calculates the total potential energy value U _{cur obtained} by summing up the values of the virtual potential acting between the plurality of randomly arranged filler models 72 (step S120).
The virtual potential is calculated based on the type of virtual potential set by the condition setting unit 18. The virtual potential is a dipole potential based on a dipole moment when, for example, a magnetic dipole moment having directionality is given to a filler model with a unit of dipole moment. The dipole potential is expressed as shown in the following formula (1). One unit of dipole moment represents a unit vector obtained by dividing a dipole moment vector by the magnitude of the dipole moment. That is, n _i in equation (1) represents a unit dipole moment, and represents a unit vector of a unit magnetic dipole moment of the i th filler model. t _ij represents a distance vector between the i th filler model and the j th filler model. λ is a proportionality constant. In addition, since the magnetic dipole moment which has directionality is provided to the filler model 72 arranged at random, the circular filler model 72 is also provided with information on the direction of the magnetic dipole moment.
In the present invention, the virtual potential is a dipole potential based on a magnetic moment, a dipole potential based on an electric dipole moment, or a combination of these dipole potentials and a spherically symmetric potential such as Leonard-Jones potential. It can also be used.

Next, in the temporary movement information setting unit 22, one of the arranged filler models 72 is selected, information on temporary movement of the selected filler model 72 is set, and the filler selected in the initial / corrected model generation unit 24 is selected. The model 72 is temporarily moved (step S130).
The temporary movement information is obtained by multiplying a set reference movement amount by a uniform random number value between 0 and 1 as a temporary movement amount, and if a two-dimensional compound model is obtained, two random value values are obtained. As a result, two temporary movement amounts are determined. The direction of the dipole moment given to the filler model 72 is also temporarily changed by a random number. Specifically, a random number between 0 and 1 is generated, and a product obtained by multiplying the random number value by 360 degrees is set as an azimuth angle (with the x axis as a reference axis) to be added in the XY coordinate system. , Temporarily change the direction of the dipole moment. As described above, the temporary movement includes a temporary change of the direction in addition to the temporary movement of the position.
The following formulas (2) and (3) formulate the temporary movement amount when the compound model 74 is a three-dimensional model. X _cur indicates the current position vector of the selected filler model 72 in the XYZ coordinate system, where the x coordinate is a _x , the y coordinate is a _y , and the z coordinate is a _z . The position vector after the temporary movement is X _new , δr in the expression (3) is a reference movement amount, and R ₁ , R ₂ , and R ₃ are random values between 0 and ₁ . In the case of a three-dimensional model, the temporary change of orientation is similarly performed in three dimensions.
FIG. 3B shows a state in which the filler model 72 indicated by a white circle is temporarily moved. In the present invention, the number of filler models 72 that temporarily move simultaneously is not limited to one, and a plurality of filler models 72 may be simultaneously performed.

Next, the total potential energy calculation unit 20 calculates the total potential energy U _new after the temporary movement according to the above equation (1) (step S140).
Next, the data processor control unit 30 compares the total potential energy U _cur before temporary movement with the total potential energy U _new after temporary movement (step S150). The total potential energy is compared before and after the temporary movement in order to determine whether or not the temporary movement is an event that can actually occur. When the value of U _new is lower than the value of U _cur , the temporary movement is an event that can actually occur, that is, the temporary movement is the main movement, and the position vector X _cur of the filler model 72 before the temporary movement is The position vector X _new after the temporary movement is replaced (step S160). Accordingly, the total potential energy U _cur before the temporary movement is also replaced with the total potential energy U _new after the temporary movement (step S170). The replaced position vector X _cur and the total potential energy U _cur are stored in the memory 14. At this time, of course, the orientation information of the filler model 72 is also replaced and stored in the memory 14.

Next, the data processing unit control unit 30 determines whether or not the compound model 74 in which the filler model 72 is arranged satisfies the end determination condition (step S180). For example, the end determination condition is whether or not the size of the cluster created by the filler model 72 is equal to or smaller than a predetermined size. A cluster can be regarded as a continuous lump when the inter-model distance of the particle model is equal to or smaller than a predetermined distance (for example, smaller than the diameter of the filler model) when the temporary movement of the filler model 72 is determined as the main movement. A group. Alternatively, whether or not the value of the total potential energy after the temporary movement is included in a predetermined range can be set as the end determination condition. Of course, at this time, whether or not the number of repeated temporary movements described below has reached a predetermined number can be added to the end determination condition. In addition, the size of the cluster refers to the longer one of the lengths from end to end of the cluster in two orthogonal directions.
If the end determination condition is not satisfied, the process returns to step S130, and one filler model 72 is selected again to set temporary movement information. Thereafter, steps S140, 150,... Are repeated.
On the other hand, if the end determination condition is satisfied, the positions of all filler models 72 in the compound model 74 are determined (step S200), and the final compound model is determined. The position information of the filler model 72 is stored in the memory 14 and used for creating a model using the finite element method.

On the other hand, when the result in Step S150 is negative, that is, when the value of U _new is not lower than the value of U _cur , the data processor control unit 30 generates a uniform random number in the range between 0 and 1. Then, the magnitude relationship between the value R of the random number at this time and the set transition probability V is examined (step S190). The transition probability V is a quotient obtained by dividing the difference (U _new −U _cur ) of the total potential energy before and after the temporary movement by −kT (k is a Boltzmann constant, T is an absolute temperature) as shown in the following formula (4) This is calculated as a power of the base e of the natural logarithm, and is a factor based on the Boltzmann distribution. The magnitude relationship between the transition probability V and the random value R is compared, and when the random value R is large, it is determined that the temporary movement may actually occur, and the process proceeds to steps S160 and S170 where the temporary movement is the main movement. When the value R of the random number is not larger than the transition probability V, the temporary movement is not considered as the main movement because the temporary movement does not occur, and the process returns to step S130 without proceeding to steps S160 and S170.

  FIG. 3C is a diagram illustrating a final arrangement result when the method illustrated in FIG. 2 is performed on the arrangement of the filler model 72 illustrated in FIG. In the example of FIG. 3C, the shape of the compound model 74 is a square shape having a length of 1, and the diameter of the filler model is 0.07. The virtual potential uses the above formula (1), and λ at this time is 7. As shown in FIG.3 (c), it turns out that the filler model 72 has produced | generated the cluster. This is because when the dipole potential represented by the formula (1) is used, the total potential energy is reduced by generating clusters. FIG. 4A is a diagram showing a three-dimensional filler model obtained by using the method shown in FIG. FIG. 4B and FIG. 4C show the result of the dispersed arrangement of the filler model obtained by the method shown in FIG. 2 and the actual two-dimensional arrangement of the filler. As can be seen from FIGS. 4B and 4C, it can be seen that the dispersed arrangement of the filler model obtained by the method shown in FIG. 2 is very similar to the actual arrangement of the filler.

  The first compound model creation method, that is, the filler model arrangement method approximated to the actual filler dispersion arrangement is performed as described above.

Thus, the first compound model creation method for creating a simulation model of a composite material in which particles are dispersed in a matrix material can be executed using a program having the following procedure in a computer.
(1) When two filler models are arranged in the matrix material model, a virtual potential created by the filler model is set in the CPU 12 of the computer, and a compound material model in which a plurality of filler models are arranged in the matrix material model is A first procedure that is created by the CPU 12 and stored in the memory 14 of the computer.
(2) A second procedure for causing the CPU 12 to calculate the value of the total potential energy by summing the values of the virtual potential acting between the filler models.
(3) A third model that temporarily moves the position of at least one filler model to the CPU 12 with respect to the compound model stored in the memory 14 of the computer, and causes the CPU 12 to calculate the value of the total potential energy after this temporary movement. procedure.
(4) The CPU 12 compares the value of the total potential energy before the temporary movement of the filler model with the value of the total potential energy after the temporary movement, and the value of the total potential energy after the temporary movement is the total potential energy before the temporary movement. A fourth procedure for causing the memory 14 to store a modified compound model in which the provisional movement is determined as the main movement of the filler model and the placement of the filler model is corrected when the value is lower than the value of.

At that time, the third procedure is performed to generate a corrected compound model by calculating the total potential energy before the temporary movement and after the temporary movement and performing the comparison with respect to the compound model whose arrangement is corrected. When the CPU 4 controls the fourth procedure and the temporary movement of the filler model is determined as the main movement in the fourth procedure, when the distance between the models of the filler model is equal to or less than a predetermined distance, the cluster is determined to be a cluster. When the size of the cluster is determined by the CPU 12 and this size satisfies a predetermined end determination condition, the correction of the filler model in the compound model may be ended by the CPU 12 and determined as the final compound model.
Further, the third procedure and the third step are performed so that the corrected compound model is generated by calculating and comparing the total potential energy before the temporary movement and after the temporary movement for the compound model whose arrangement is corrected. In the fourth procedure, when the total potential energy value after the temporary movement is included in the predetermined range, the CPU 12 ends the correction of the position of the filler model in the compound model, and the final procedure is performed. It can also be determined as a composite material model.

  The virtual potential is, for example, a dipole potential based on a dipole moment when a charge model or a magnetic dipole moment value gives a unit dipole moment to a filler model. At that time, it is preferable to change the orientation of the filler model determined by the dipole moment.

FIG. 5 is a flowchart for explaining the flow of simulation using the finite element method using the position information of the filler model when determined as the final compound model.
First, in the finite element model creation unit 26, the filler model position information stored in the memory 14 is called, and the position of the filler part is set (step S300).
Next, a simulation model that reproduces a compound in which fillers are distributed and arranged on a rubber member is created (step S310). For example, in the case of a two-dimensional model, the simulation model is composed of a plurality of finite elements of a single size formed by dividing a mesh into rectangular regions at equal intervals, as shown in FIG. The element corresponding to the filler is determined at the position corresponding to the filler position information. In the model shown in FIG. 6A, the number of rectangular elements provided along one side is 100, and the number of elements is 10,000. FIG. 6B shows an example of a three-dimensional simulation model composed of rectangular parallelepiped elements. In the models shown in FIGS. 6A and 6B, the elements corresponding to the filler are indicated by black areas, and the elements corresponding to the rubber are indicated by white areas. In the example shown in FIGS. 6A and 6B, an Arruda-Boyce superelastic model is used as the material property of rubber. The material properties of the rubber may have relaxation properties that change with time. The parameters μ and λ in the Arruda-Boyce superelastic model are 0.05 and 2.3 for elements corresponding to rubber, and 5.00 and 2.3 for elements corresponding to fillers, respectively. A material constant is used for the material characteristic of the filler.

  In the present invention, the material property represented by the Arruda-Boyce superelastic model is used as the material property of the rubber, but other material constants may be used. As the material constant, for example, values such as Young's modulus, shear rigidity or modulus, and Poisson's ratio may be set. At this time, the Young's modulus, shear rigidity, or modulus value used as the material constant of rubber is lower than the Young's modulus, shear rigidity, or modulus value of the material constant of the filler. Conditions such as material characteristics and material constants used in such a simulation model are set by the condition setting unit 18. In this embodiment, a rectangular region is a model that is divided into meshes at equal intervals and configured with the same size elements, but in the present invention, the model is not limited to a model in which the above regions are divided into meshes at equal intervals. The mesh may be divided by elements having different sizes according to the arrangement position and shape. However, as shown in FIGS. 6A and 6B, the simulation model in which the above-described region is divided into meshes at equal intervals and configured with elements of the same size can be divided into fillers regardless of where the filler positions are set. This is effective in that it does not need to be carried out according to the position of.

  A simulation is performed in which a boundary condition is given to a simulation model that can be calculated by being given material characteristics or material constants, and further a load condition or a forced displacement condition is given to reproduce a mechanical behavior (step S320). An example of the boundary condition is a cyclic symmetry condition that allows relative displacement. When performing nonlinear analysis in the simulation, it is preferable to set a periodic boundary condition that allows a relative displacement between the two boundaries in addition to the amount of displacement of the boundary between the two opposing sides. The load condition refers to a condition for setting an external force to be applied to two sides facing each other, for example. Boundary conditions, load conditions, forced displacement conditions, and the like are set by the condition setting unit 18.

In the simulation, for example, a uniaxial tensile test in which an external force or a forced displacement is applied to two opposite sides of the simulation model and a biaxial tensile test in which an external force or a forced displacement is applied to two opposite sides are reproduced.
The result obtained by the simulation is output to the display 50 and the printer 60 (step S330). FIGS. 7A and 7B are diagrams showing simulation results of reproducing a uniaxial tensile test by applying a forced displacement to two opposite sides of the simulation model shown in FIG. 6 (giving a displacement 4 in the x direction). . FIG. 7A is a diagram illustrating deformation of the simulation model. FIG. 7B is a diagram showing the maximum principal distortion at that time in black and white. The black part shows the part where the maximum principal distortion is large.
As a simulation result, the mechanical characteristics of the compound are obtained and output to the display 50 and the printer 60.

  As described above, in the above-described embodiment, a compound model can be effectively created by setting a virtual potential and determining a model of a composite material in which particles are dispersed in a matrix material using an end determination condition. A simulation model can be created using this result, and the simulation can be performed efficiently.

Next, a method for creating the second compound model in the creating apparatus 10 will be described in detail below. FIG. 8 is a flowchart for explaining the flow of an example of a method for creating the second compound model.
In the second compound model, an aggregate in which a plurality of fillers are in an aggregated state (see FIG. 9A) is represented by a structure model having one direction (see FIG. 9B), and this filler structure model is As in the case of the first compound model, a plurality of random models are arranged and temporarily moved. This temporary movement is performed until a predetermined end condition is satisfied, the position and orientation of the filler structure model are determined, and the determined filler structure model is replaced with a model in which a plurality of fillers are in an aggregated state, and the final compound A model is generated. Based on the generated model, a simulation is performed to obtain mechanical characteristics such as modulus and viscoelastic characteristics. The aggregate in which a plurality of fillers are in an aggregated state has a directionality characterized by the aggregated form, and the direction at this time is used as the orientation of the filler structure model. Depending on the orientation and position of this filler structure model, a virtual potential is created.
Hereinafter, a method for creating the second compound model will be described using a two-dimensional model according to the flowchart of FIG. The method for creating the second compound model can of course be applied to a three-dimensional model.

  First, in the condition setting unit 18, various conditions are set in the same manner as in the first compound model by an input by an operator (step S400). In the second compound model, in addition to the conditions of the first compound model, an overlap determination condition and an overlap processing method for adjusting overlap at the time of temporary movement of the filler structure model are set.

  Next, in the initial / corrected model generation unit 24, the filler structure model is randomly arranged in the rubber model as in the case of the particle model of the first compound model (step S410). FIG. 10A shows an example of a compound model 78 in which 16 filler structure models (ellipsoids in the figure) 76 are randomly arranged in a two-dimensional rubber model 70. The azimuth angle indicating the orientation of the filler structure model 76 is one round clockwise from the center of the filler structure model 76 with the x-axis plus direction as a reference, with the square orthogonal sides of the rubber model 70 as the x-axis and y-axis. The determined azimuth angle is defined as 1 and the CPU 12 generates a random number in the range of 0 to 1, and is determined by the value of this random number. Here, the filler structure model is a model of an aggregate in which three fillers are in an aggregated state. In addition, the edge shape of the filler structure model is such that the major axis coincides with the direction in which the three fillers aggregate, the minor axis is ½ of the major axis, and the area is three times the area of the filler (the area is aggregated 3 An elliptical shape (corresponding to the area of one filler assembly). Further, the edge shape of the filler structure model is represented by a shape function representing this elliptical shape. When the compound model is a three-dimensional model, the volume of the filler structure model is matched with the volume of the aggregate of three aggregated fillers.

Next, in the total potential energy calculation unit 20, the calculation of the total potential energy value U _{cur obtained} by summing up the values of the virtual potentials acting between the plurality of randomly arranged filler structure models 76 is performed as the first compound model. The same is done (step S420). The virtual potential in the present embodiment is calculated based on the position of the filler structure model 76 and the direction represented by the long axis.

Next, the provisional movement information setting unit 22 selects one of the arranged filler structure models 76, information on provisional movement of the selected filler structure model 76 is set, and the initial / correction model generation unit 24 selects The provisional movement of the filler structure model 76 is performed in the same manner as the first compound model (step S430). The temporary movement of the filler structure model 76 includes, in addition to the temporary movement of the position, temporary change of the direction of the long axis representing the direction of the filler structure model 76.
FIG. 10B shows a state in which the filler structure model 76 indicated by a white oval is temporarily moved.

  Next, the initial / corrected model generation unit 24 adjusts the overlap between the temporarily moved filler structure model 76 and the other filler structure model 76 (step S440). Adjustment of the overlap of the filler structure model 76 expresses the edge shape of the filler structure model 76 by a shape function, and the presence or absence of overlap of the shape function between the filler structure model 76 temporarily moved and the filler structure model 76 not temporarily moved. If there is no overlap, this temporary movement is adopted. If there is an overlap, this temporary movement is canceled and the temporary movement of the filler structure model 76 is repeated until no overlapping of shape functions occurs. This makes it easy to keep the amount of all fillers in the compound model 78 constant.

Further, when the compound model is a two-dimensional model, the overlap of the filler structure model 76 is adjusted by adding the sum of the areas occupied by the filler structure model 76 in the compound model 78. adopt. If the areas do not match, the temporary movement is canceled and the temporary movement of the filler structure model 76 is repeated until the areas match. Thereby, the amount of all fillers in the compound model 78 can be kept constant. When the compound model is a three-dimensional model, the filler structure model overlap adjustment may be performed using the volume occupied by the filler structure model in the compound model.
Further, the adjustment of the overlap of the filler structure model 76 can be performed even if this temporary movement is adopted when the change margin before and after the temporary movement is less than or equal to a certain value for the sum of the area occupied by the filler structure model 76 in the compound model 78. Good. Adjustment of the overlap of the filler structure model 76 is performed by generating a random number of 0 to 1 when the above-mentioned change allowance of the sum of the area occupied by the filler structure model 76 is larger than a certain value, and the random value is, for example, 0.5 or more In this case, this temporary movement may be adopted. Further, this overlap adjustment may be performed at the time of all temporary movements, and may be performed only at an arbitrary timing such as when an end condition described later is satisfied. Alternatively, it may not be performed at all.

Next, the total potential energy calculation unit 20 calculates the adopted total potential energy U _new after the temporary movement in the same manner as in the first compound model (step S450).
Next, in the data processing unit control unit 30, the total potential energy U _cur before the temporary movement and the total potential energy U _new after the temporary movement are compared in the same manner as in the first compound model (step S460). When all potential energy satisfies the same conditions as the first compound model, the position vector X _cur of the first compound models as well as before the temporary mobile filler structure model 76, substitution in the position vector X _{new new} after temporary mobile (Step S470). Accordingly, the total potential energy U _cur before the temporary movement is also replaced with the total potential energy U _new after the temporary movement (step S480). The replaced position vector X _cur and the total potential energy U _cur are stored in the memory 14. At this time, of course, the orientation information of the filler structure model 76 is also replaced and stored in the memory 14.

Next, the data processing control unit 30 determines whether or not the compound model 78 in which the filler structure model 76 is arranged satisfies the end determination condition, similarly to the first compound model (step S490).
If the end determination condition is not satisfied, the process returns to step S430, and one filler structure model 76 is selected again to set temporary movement information. Thereafter, steps S440, 450,... Are repeated. On the other hand, when the end determination condition is satisfied, the positions of all filler structure models 76 in the compound model 78 are determined as shown in FIG. 10C (step S510).
Next, the initial / corrected model generation unit 24 determines the position and uses the position information and orientation information of the filler structure model 76 for each of the plurality of filler structure models 76 whose arrangement has been corrected. The structure model is replaced with a model of an aggregate of a plurality of particles in which fillers are aggregated (step S520), and a final compound model is determined.
Next, in the data processing control unit 30, the position information of the replaced particle model is stored in the memory 14, and is used to create a model using the finite element method.

On the other hand, when the temporary movement is denied in step S460, that is, when the value of U _new is not lower than the value of U _cur , the data processing control unit 30 sets 0 to 0 as in the first compound model. Uniform random numbers are generated in the range between 1 and the magnitude relationship between the random value R at this time and the set transition probability V is examined (step S500). The magnitude relationship between the transition probability V and the value R of the random number is compared, and when the value R of the random number is large, it is determined that the temporary movement can actually occur, and the process proceeds to steps S470 and S480 where the temporary movement is the main movement. When the value R of the random number is not larger than the transition probability V, the temporary movement is not considered as the main movement because the temporary movement does not occur, and the process returns to step S430 without proceeding to step S470 and step S480.

  FIG. 10C is a diagram showing a final arrangement result when the method shown in FIG. 8 is used for the arrangement of the filler structure model 76 shown in FIG. In the example of FIG. 10C, the compound model 78 has a long diameter (diameter) of 0.2 when the rubber model 70 has a square shape with a length of 1. The virtual potential uses the above-described equation (1), and λ at this time is 14. As shown in FIG. 10C, it can be seen that the filler structure model 76 generates a cluster.

In the present embodiment, the filler structure model is obtained by modeling an aggregate of three linearly aggregated fillers. However, the filler structure model is not limited to this, and an aggregate of filler aggregates in any aggregated state is modeled. It may be. For example, an assembly of a certain number of fillers having a certain shape with directionality, each illustrated in FIG. 11, may be modeled. Moreover, the kind of filler structure model used simultaneously is not limited to one, You may use multiple types simultaneously.
In the present embodiment, the shape of the filler structure model is an elliptical shape, but is not limited to this, and may be any shape having information on the position, orientation, and area of the filler structure model 76. For example, it may be a rectangle or a rhombus.
In this embodiment, the direction characterizing the filler structure model is the direction of the axis passing through the three aggregated fillers. However, the direction is not limited to this, and may be any direction in which a virtual potential can be calculated. For example, the direction having the maximum or minimum length of the aggregate of fillers or the direction in which the secondary cross-section moment is maximum or minimum may be used.

  The method for creating the second compound model, that is, the method for arranging the filler structure model is performed as described above.

  In this way, a second compound model creation method for creating a simulation model of a composite material in which a plurality of aggregated fillers are dispersed in a matrix material uses a program having the same procedure as that of the first compound model in a computer. In addition, a modified compound model in which the arrangement of the filler structure model is corrected can be created.

  At this time, the filler structure model has an orientation, and the virtual potential is a potential that is created depending on the position and orientation of the two filler structure models. The filler structure model is a collection of a plurality of fillers. The model is expressed as a model, and the aggregate of the plurality of fillers has a directionality characterized in a predetermined direction, and this direction is preferably used as the direction of the filler structure model. In addition, the temporary movement of the filler structure model preferably temporarily changes the orientation of the filler structure model in addition to the temporary movement of the position of the filler structure model.

  In the second compound model, as in the first compound model, the positions of a plurality of aggregated filler portions are set, and a simulation model is created that reproduces a compound in which a plurality of aggregated fillers are dispersedly arranged on a rubber member. A boundary condition or the like is given to the simulation model, a simulation for reproducing the mechanical behavior is performed, and a result obtained by the simulation is output to the display 50 or the printer 60.

In the second method for creating a compound model, a compound model can be created in a short time (with a reduced calculation load) by using a filler structure model obtained by modeling an aggregate in which a plurality of fillers are aggregated. This is because, after the adopted temporary movement, the number of calculations for each step of calculating the total potential energy is approximately the square of the number of filler models in the first compound model, and in the second compound model, it is approximately the filler structure model. This is because the number of steps is reduced to the square of the number, and the number of steps for calculating the total potential energy itself after the adopted temporary movement is reduced. By using the filler structure model in the second compound model, the calculation time required for model creation is reduced to about 1/27 when the number of aggregated fillers is three as an example.
Note that the number of fillers that aggregate in the aggregate that models the filler structure model is not particularly limited as long as the aggregation of the actual filler can be simulated. If the number of fillers forming the filler structure model increases, the number of filler structure models handled in the compound model including the same number of fillers decreases, so that the calculation time can be further shortened.

  The composite material model creation device, simulation device, composite material model creation program, and composite material model creation method of the present invention have been described above in detail, but the present invention is not limited to the above-described embodiment, and the gist of the present invention. It goes without saying that various improvements and changes may be made without departing from the scope of the invention.

1 is a schematic configuration diagram of an apparatus for implementing a composite material model creation method according to an embodiment of a composite material model creation apparatus and a simulation apparatus of the present invention. It is a flowchart explaining the flow of an example of the preparation method of the 1st simulation model of this invention. (A) is a figure which shows an example of the 1st compound model which arranged the filler model at random in a two-dimensional rubber model, (b) is a figure explaining temporary movement of a filler model, (c FIG. 4B is a diagram illustrating an example of a filler model arrangement result obtained by the first composite material model creation method of the present invention. (A) is a figure which shows an example of the arrangement | positioning result of the three-dimensional filler model obtained by the preparation method of the 1st composite material model of this invention, (b) is the arrangement | positioning result of a two-dimensional filler model (C) is a figure which shows the example of the two-dimensional dispersion | distribution arrangement | positioning of an actual filler. It is a flowchart explaining an example of the flow of the simulation method of the composite material of this invention. (A), (b) is a figure which shows the example of the simulation model obtained with the simulation method of the 1st composite material of this invention. (A), (b) is a figure which shows an example of the result obtained with the simulation method of the composite material of this invention. It is a flowchart explaining the flow of an example of the production method of the 2nd simulation model of this invention. (A) is an aggregate in which a plurality of fillers are in an aggregated state, and (b) is an example of a filler structure model. (A) is a figure which shows an example of the 2nd compound model which arranged the filler structure model at random in a two-dimensional rubber model, (b) is a figure explaining temporary movement of a filler structure model, (C) is a figure which shows an example of the arrangement | positioning result of the filler structure model obtained with the preparation method of the 2nd composite material model of this invention. It is a figure which shows the other model of the aggregate | assembly with which several particle | grains aggregated represented as a filler structure model.

Explanation of symbols

10 Composite Material Model Creation Device 12 CPU
14 Memory 16 I / O Interface 18 Condition Setting Unit 20 Total Potential Energy Calculation Unit 22 Temporary Movement Information Setting Unit 24 Initial / Modified Model Generation Unit 26 Finite Element Model Creation Unit 28 Simulation Operation Unit 30 Data Processing Control Unit 40 Input Operation System 50 Display 60 Printer 70 Rubber model 72 Filler model 74, 78 Compound model 76 Filler structure model

Claims (22)

A composite material model creation device for creating a composite material model in which particles are dispersed in a matrix material,
When two particle models are arranged in the matrix material model, a virtual potential created by the two particle models is set, and a composite material model in which a plurality of particle models are arranged in the matrix material model is created. Means,
A second means for calculating a value of total potential energy by summing values of virtual potentials acting between the plurality of particle models;
A third means for temporarily moving at least one particle model of the plurality of particle models and calculating a value of total potential energy after the temporary movement;
Compare the value of the total potential energy before temporary movement of the particle model with the value of the total potential energy after temporary movement, and compare the value of the total potential energy after temporary movement to the value of the total potential energy before temporary movement. And a fourth means for generating a modified composite material model in which the provisional movement is defined as a main movement of the particle model and the arrangement of the particle model is corrected,
Have a, and control means for controlling said first to fourth means,
The third means and the fourth means further calculate the value of the total potential energy before the temporary movement and after the temporary movement, with respect to the modified composite material model generated by the fourth means, and The control means controls the third means and the fourth means to perform the comparison to further modify the modified composite material model;
The fourth means obtains the size of the cluster when it is determined as a cluster when the inter-model distance of the particle model is equal to or less than a predetermined distance when the temporary movement of the particle model is determined as the main movement. An apparatus for creating a composite material model , wherein when the size satisfies a predetermined condition, the modification of the arrangement of the particle model in the composite material model is terminated and output as a final composite material model . The composite material model creating apparatus according to claim 1, wherein the virtual potential is a dipole potential obtained by adding a charge value or a magnetic dipole moment value to the particle model. 3. The composite material model creating apparatus according to claim 2 , wherein the third means changes the direction of the particle model determined by the dipole moment in addition to the temporary movement of the position of the particle model. The particle model has an orientation;
The virtual potential is a potential created depending on the position and orientation of two particle models,
The particle model represents an aggregate of a plurality of particles as one model, and the aggregate of the plurality of particles has a direction characteristic of a predetermined direction, and this direction is the direction of the particle model. The composite material model creating apparatus according to claim 1, wherein the composite material model creating apparatus is used as an orientation. 5. The composite material model creating apparatus according to claim 4 , wherein the third means temporarily changes the orientation of the particle model in addition to the temporary movement of the position of the particle model. The composite material model creating apparatus according to claim 4 or 5 , wherein an edge shape of the particle model is represented by a shape function. The composite material model creation apparatus according to any one of claims 4 to 6 , wherein the particle model has an area or volume substantially equal to an area or volume of an aggregate of a plurality of particles represented by the particle model. . In the fourth means, the value of the total potential energy after the temporary movement is lower than the value of the total potential energy before the temporary movement, and the area or volume occupied by all the particle models after the temporary movement is The composite material model creating apparatus according to any one of claims 4 to 7 , wherein when the particle model before movement substantially coincides with an area or volume occupied by the particle model, the temporary movement is set as the main movement. In the fourth means, the value of the total potential energy after provisional movement is lower than the value of the total potential energy before provisional movement, and the presence or absence of overlap of the shape functions between the particle models after provisional movement is determined. The composite material model creating apparatus according to claim 6 , wherein when the calculation is performed and there is no overlap, the temporary movement is set as the main movement. The fourth means further creates a final composite material model by replacing each of the plurality of particle models whose arrangement has been corrected with a model of a plurality of particle aggregates . 10. The composite material model creating apparatus according to any one of items 9 to 9 . The first means, the second means, the third means, the fourth means, and the control means in the composite material model creating apparatus according to any one of claims 1 to 10 ,
When the modified composite material model generated in the fourth means satisfies a predetermined condition, the modified composite material model at this time is determined as the final composite material model, and the particle model in the final composite material model is determined. Is a model that reproduces the composite material in which the particles are arranged at the dispersion position and is divided by a plurality of computable elements to create a composite material simulation model. And a fifth means. 12. The simulation apparatus according to claim 11 , wherein the fifth means further performs calculation of deformation simulation by adding boundary conditions and load conditions or forced displacement conditions to the created composite material simulation model. . The simulation apparatus according to claim 12 , wherein the boundary condition is a cyclic symmetry condition that allows relative displacement of edges on both sides of the composite material simulation model so that the composite material simulation model is continuously connected. A simulation model creation program for causing a computer to create a simulation model of a composite material in which particles are dispersed in a matrix material,
When two particle models are arranged in the matrix material model, the virtual potential created by the two particle models is set by the computer, and a composite material model in which a plurality of particle models are arranged in the matrix material model is calculated by a computer computing means. A first procedure to be created and stored in a storage means of a computer;
A second procedure in which the values of virtual potentials acting between the plurality of particle models are summed to cause the calculation means to calculate a value of total potential energy;
With respect to the composite material model stored in the storage means of the computer, at least one particle model of the plurality of particle models is temporarily moved to the computing means, and the value of the total potential energy after the temporary movement is A third procedure for causing the computing means to calculate;
The calculation means compares the value of the total potential energy before temporary movement of the particle model with the value of the total potential energy after temporary movement, and the value of the total potential energy after temporary movement is the total potential energy before temporary movement. A fourth procedure for causing the storage means to store a modified composite material model in which the calculation means is determined as the primary movement of the particle model and the arrangement of the particle model is corrected when the temporary movement is lower than the value of Yes, and
The third procedure is performed to generate the corrected composite material model by performing the temporary movement, calculating the total potential energy after the temporary movement, and performing the comparison with respect to the composite material model with the corrected arrangement. And the fourth procedure is controlled by the control means of the computer,
In the fourth procedure, when the temporary movement of the particle model is determined as the main movement, the size of the cluster when the inter-model distance of the particle model is determined to be a cluster by being equal to or less than a predetermined distance is calculated as the computing unit. And when the size satisfies a predetermined condition, the calculation means ends the correction of the arrangement of the particle model in the composite material model and is determined as a final composite material model. Material model creation program. The virtual potential, the particle model, when the value of the charge values or magnetic dipole moment has granted the dipole moment of a unit, according to claim 14 which is a dipole potential based on the dipole moment A composite material model creation program. The composite material model creation program according to claim 15 , wherein in the third procedure, in addition to the temporary movement of the position of the particle model, the direction of the particle model determined by the dipole moment is also temporarily changed. The particle model has an orientation;
The virtual potential is a potential created depending on the position and orientation of two particle models,
The particle model represents an aggregate of a plurality of particles as one model, and the aggregate of the plurality of particles has a direction characteristic of a predetermined direction, and this direction is the direction of the particle model. 15. The composite material model creation program according to claim 14, which is used as an orientation. The composite material model creation program according to claim 17 , wherein in the third procedure, in addition to the temporary movement of the position of the particle model, the direction of the particle model is also temporarily changed. CPU,
Memory,
Input operation system,
A method for operating a composite material model creating apparatus for creating a composite material model in which particles are dispersed in a matrix material, comprising:
The CPU is
When two particle models are arranged in the matrix material model based on conditions input by the operator via the input operation system, a virtual potential created by the two particle models is set, and a plurality of matrix material models are set in the matrix material model. A first step of creating a composite material model with a particle model;
A second step of calculating a value of total potential energy by summing values of virtual potentials acting between the particle models;
A third step of temporarily moving at least one particle model of the plurality of particle models and calculating a value of total potential energy after the temporary movement;
Compare the value of the total potential energy before temporary movement of the particle model with the value of the total potential energy after temporary movement, and compare the value of the total potential energy after temporary movement to the value of the total potential energy before temporary movement. And a fourth step of generating a modified composite material model in which the provisional movement is defined as a main movement of the particle model and the arrangement of the particle model is corrected and stored in the memory ,
The corrected composite material model generated in the fourth step is further corrected by calculating and comparing the value of the total potential energy before and after the temporary movement, and the comparison. As described above, the third step and the fourth step are repeated,
In the fourth step, when the temporary movement of the particle model is determined as the main movement, the size of the cluster when it is determined as a cluster when the inter-model distance of the particle model is equal to or less than a predetermined distance is obtained, When the size satisfies a predetermined condition, the arrangement of the particle model in the composite material model is corrected and output as the final composite material model,
The virtual potential, the particle model, the operation method of the producing apparatus of the composite model which comprises the dipole potential imparted with the values of the charge values or magnetic dipole moment. 20. The operation method of the composite material model creating apparatus according to claim 19 , wherein, in the third step, in addition to the temporary movement of the position of the particle model, the direction of the particle model determined by the dipole moment is also temporarily changed. The particle model has an orientation;
The virtual potential is a potential created depending on the position and orientation of two particle models,
The particle model represents an aggregate of a plurality of particles as one model, and the aggregate of the plurality of particles has a direction characteristic of a predetermined direction, and this direction is the direction of the particle model. The operation method of the composite material model creating apparatus according to claim 19 or 20, which is used as an orientation. The operation method of the composite material model creating apparatus according to claim 21 , wherein, in the third step, in addition to the temporary movement of the position of the particle model, the direction of the particle model is also temporarily changed.

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