CN104657564A - Abrasive flow machining numerical simulation research method based on molecular dynamics - Google Patents
Abrasive flow machining numerical simulation research method based on molecular dynamics Download PDFInfo
- Publication number
- CN104657564A CN104657564A CN201510112567.2A CN201510112567A CN104657564A CN 104657564 A CN104657564 A CN 104657564A CN 201510112567 A CN201510112567 A CN 201510112567A CN 104657564 A CN104657564 A CN 104657564A
- Authority
- CN
- China
- Prior art keywords
- abrasive
- simulation
- molecular dynamics
- machining
- atom
- Prior art date
- Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
- Granted
Links
Landscapes
- Management, Administration, Business Operations System, And Electronic Commerce (AREA)
Abstract
The invention relates to an abrasive flow machining numerical simulation research method based on molecular dynamics. According to the method, numerical simulation researches are carried out on a machining course by taking a single abrasive grain as a tool. Specifically, the method comprises the following steps: (1) carrying out abrasive flow machining course simulation researches on the basis of molecular dynamics; (2) establishing an abrasive micro-cutting molecular dynamic model; (3) discussing the influence of related parameters on energy change in the machining course and analyzing the quality of a machined surface; and (4) exploring the influence of abrasive machining on an abrasive crystal structure at a micro-scale. According to the method disclosed by the invention, by researching and analyzing a single-abrasive micro-cutting process in the abrasive flow machining course by virtue of a molecular dynamics method, atomic displacement in a Newtonian layer of a workpiece during the abrasive micro-cutting process can be calibrated; and the method can be used for achieving molecular dynamic simulation of abrasive grains and pointing out that bond angle of an abrasive grain can be changed in the course of machining the abrasive grains, so as to lay a theoretical foundation for the subsequent researches on the deformation of the abrasive crystal structure in the abrasive flow machining course.
Description
Technical field
The present invention relates to a kind of based on molecular dynamics abrasive Flow Machining method of numerical simulation, belong to Machining Technology field.
Background technology
Along with the development of science and technology, small, the ultraprecise processing technique field of machining forward strides forward.Friction pair gap in many high-end products becomes more and more less, starts to enter nanometer scale, and Micro Lub studies as the another most important theories in mechanical engineering application.
Abrasive Flow Machining can realize the skin processing to specific channel inwall, improve the smooth finish of surface of the work, therefore abrasive Flow Machining can solve the Precision Machining that other traditional diamond-making techniques cannot realize complicated shape part, makes it play an important role in Precision Machining field.Abrasive Flow Machining technology is widely used in the Precision Machining of the field parts such as Space Science and Technology, mould, automobile, medicine equipment, optical table.In abrasive Flow Machining process, abrasive material produces stress with the surface of part to be processed and contacts, and relative motion occurs, and this just produces the effect of abrasive particle grinding work piece, thus the grinding polishing effect reached piece surface, abrasive particle can regard the cutter in process as in the process.Utilize the abrasive particle in abrasive Flow to use countless cutting tools as, with its hard sharp corner angle, the channel surface that abrasive Flow flows through is cut repeatedly, thus realize the finishing of pipe surface.Abrasive particle, to the main mechanism by the cutting of mill material surface being abrasive wear, by microscopic dimensions research surface of the work removal, clearerly can recognize the change occurred under micro-scale in material processing.Under micro-scale, abrasive wear occurs in the microcosmic local of surface of the work, and on research surface of the work, microscopic dimensions dynamic behaviour is the important channel being familiar with Abrasive Wear Mechanism with change.Therefore, be very necessary to the research of the phenomenon in abrasive particle micro cutting process and cutting scheme.But in the research to abrasive grain cutting process, general simple formula calculates wear extent or carries out observation analysis to surface of the work by experiment, is difficult to reflect dynamic changing process.Micro cutting occurs in tiny area, and this region has the atom of workpiece and cutter to distribute, and cuts the acting force transferred between atom, may produce new physical phenomenon, as microscopic heat conduction.Studying the micro-scale of abrasive Flow Machining, has been Nanotribology theoretical category.Nanotribology is the abrasion mechanism based on atom, molecular scale being studied frictional interface, and therefore the power thermal characteristics of micro-scale, mechanical property likely change.Nanotribology is different from macroscopical tribology in research method, theoretical foundation, measuring technology and application etc., and this just makes macroscopic concept and theory in microscopic fields research, has inapplicable part, therefore needs to find new theory and research method.
Summary of the invention
The object of the present invention is to provide a kind of based on molecular dynamics abrasive Flow Machining method of numerical simulation, so that better for machining processes.
To achieve these goals, technical scheme of the present invention is as follows.
A kind of based on molecular dynamics abrasive Flow Machining method of numerical simulation, carry out numerical simulation study using single abrasive particle as cutter to process, its concrete steps are as follows:
(1) carry out the abrasive Flow Machining process simulation research based on molecular dynamics, research correlation parameter, on the impact of energy variation in abrasive Flow Machining, is write molecular dynamics and is set up realistic model and carry out Molecular Dynamics;
(2) according to molecular dynamics ultimate principle, set up the Molecular Dynamics Model of abrasive particle micro cutting, carry out the abrasive particle grinding numerical simulation based on molecular dynamics, by the numerical solution equation of motion, draw displacement and the speed of the relative machined material atom of abrasive particle atom, obtain the movement locus of not atom in the same time, probe into the removal of abrasive Flow Machining process Atom, surperficial potential variation;
(3) set forth the removal mechanisms at work of material from microcosmic angle, inquire into correlation parameter to the impact of energy variation in process, and to machined surface quality analysis;
(4) probe into after abrasive machining, the situation of change of abrasive particle, probe into the impact of abrasive Flow Machining on abrasive particle crystal structure from micro-scale.
In above-mentioned steps (1), the process of molecular dynamics simulation is divided into the following steps:
(1) simulated system that will emulate is theorized model;
(2) system initial parameter is set, comprise the atomic type of particle, boundary condition, atomic coordinates etc.;
(3) selected rational potential function, is described interatomic acting force;
(4) select computing method, solve the equation of motion;
(5) complete the simulation step number of initial setting after relaxation, obtain particle trajectory file;
(6) extract related physical quantity, analog result is analyzed.
From simulated technological process analysis, molecular dynamics simulation carries out initial parameter definition to set up model, solves the process that the equation of motion obtains phase path, the architectural characteristic of last statistics system and character to particle.
In above-mentioned steps (2), as follows based on molecular dynamics abrasive Flow Machining numerical simulator operation steps:
(1) set up abrasive particle grinding model: the first step of molecular dynamics simulation builds chemical model, namely defines its micromechanism according to real material chemical composition, this comprises atomic species and atom number that system comprises.In molecular dynamics simulation, need the feature according to simulated system and computing equipment, determine suitable system scale.
After establishing model, next step task be to the atom of set up system between the field of force be described.Main detection workpiece is ground the change of processing in the process, therefore cutter is set as rigid body.In most of the cases, need the interaction carrying out each several part atom in description system with different force field parameters, to meet the needs of molecular dynamics simulation, obtain more realistic notional result.When dividing the energy corresponding to different motor patterns, the scheme that the force field parameter in same source is taked is identical, mutually from being in harmony between each parameter.On the contrary, the force field parameter of separate sources, the scheme taked when dividing the energy corresponding to different motor patterns is different, can not certainly be in harmony between each parameter.Therefore when the force field parameter of mixed separate sources carries out molecular dynamics simulation, the self-consistency between parameter must be ensured, namely ensure to make the reasonable noncontradictory of optimum configurations, otherwise, be difficult to obtain rational analog result.Adopt EAM gesture to describe power between copper atom in model, utilize Morse gesture to describe acting force between workpiece and abrasive particle, Tersoff gesture describes the interatomic acting force of cutter.
After the foundation of implementation model, need to set initiation parameter.Its parameters setting process sums up the following aspects:
A () is chosen numerical integration and is calculated or difference scheme, comprise Verlet algorithm, leapfrog algorithm etc.;
Choosing of (b) numerical integration time step;
C () describes intermolecular interaction, choosing of potential function, and truncation radius and truncation method etc.;
When () calculates intermolecular force d, the simplified process method chosen, as neighbor table algorithm, grid indexing method, and parameter related to this;
E () is to the demarcation of simulated system assemblage, and the algorithm of statistic ensemble when state variable N, P, T realize;
F () simulated process parameter, comprises the step number etc. of relaxation and analogue simulation.
G the setting of () simulated experiment parameter, according to experiment content to speed, temperature is demarcated.
(2) Initialize installation of model: based on classical force theory, for any classical mechanics system, as long as determine initial configuration and the initial velocity of system, just can counting system in the configuration of any time afterwards and speed.Utilize the concept of statistical mechanics, the initial configuration of simulated system and initial velocity, corresponding track is in the starting point of phase space, and molecular dynamics simulation calculates one section of phase path by the starting point in phase space.Any molecular dynamics simulation can only obtain a bit of of system phase path, and in order to ensure the representativeness of this segment track in phase space that molecular dynamics simulation obtains, order reliable simulate the data obtained, and the starting point of simulation must close to equilibrium state.On the contrary, if the starting point far from equilibrium state of phase path, not only can cause simulating the phase path obtained does not have representativeness, but also can affect the stability of simulation process, causes simulation normally not carry out.For determining that the General Requirements of simulating configuration and initial velocity is:
A (), in monoatomic molecules system and small molecule systems simulation, as long as the temperature of simulation is not too low, generally reaches equilibrium state than being easier to, can set the initial configuration of system randomly.But, must be noted that the shape of molecule too can not depart from equilibrium configuration, intermolecularly can not lean on mutually too near.Otherwise molecule internal stress and intermolecular repulsive force are too large, the equation of motion will be made to be in non-steady state, cause the failure of molecular dynamics simulation.If there is this failed situation, can geometries optimize be utilized, the structure of optimization system before molecular dynamics simulation, reduce the potential energy of system, guarantee normally carrying out of simulation process.
B (), in crystal system, must guarantee that initial configuration is near equilibrium configuration, otherwise cannot reach equilibrium configuration by simulation.
C (), for synthesis macromolecule, biomacromolecule system or macromolecular solution, according to the architectural feature determination initial configuration of large molecule and solvent, if configuration is wrong during the course, the large molecule of simulating is difficult to realize equilibrium configuration.
D () setting initial velocity comparatively initial configuration is convenient and free, general by Maxwell velocity distribution, the initial velocity of an atom in setting system randomly.
(3) relaxation of simulated system: after starting condition sets, can not ensure that set initial condition parameters makes simulated system reach equilibrium state completely, this just needs, to system relaxation process, under the condition not adding external force, namely to make the equilibrium state that system self reaches stable.Namely before molecular dynamics simulation, allow system from calculating some steps, system exports energy and temperature parameter and reaches steady state (SS), can think that system tends to balance state, and the time calculating this process is called the relaxation time.Relaxation time unsuitable oversize also should not be too short, this is because the time, too short meeting made system not reach equilibrium state; Time is too much, and simulation process can be made very long, and calculated amount also can increase, and increases the load of computing machine.Relaxation process is a very important link in molecular dynamics simulation as can be seen here, and generally this relaxation process realizes often through the method for the thermostat layer atom of institute's Modling model being carried out to speed scale.
(4) determination of time integral step-length: the time parameter that molecular dynamics simulation can be studied and experimental technique have very large complementarity.In classical molecular dynamics, the time scale of system be can't help the speed of electron motion and is arranged, but is decided by the rotation of interatomic collision accident, atom and intramolecular time of vibration.It can utilize the characteristic of computer simulation to make up the deficiency of scientific experiment on the processing time, but can not be infinitely small in choosing of molecular dynamics simulation time step.Time step is chosen too little, then the time of calculating simulation will increase, and increases computing time, so also will consider the configuration of computer hardware facility, avoids causing computing excess; Time step is excessive, then simulate the data possibility imperfection obtained, effectively can not observe, lose its accuracy, molecular dynamics time step has important impact for simulation process and simulation result.Usual principle for integration step process in molecular dynamics simulation is, the integration step of simulation should be less than 1/10th of the system the fastest period of motion.For reducing simulated time, step-length chooses 1fs, counting yield can be made like this to promote, effectively can be analyzed data again.
(5) setting of molecular dynamics simulation correlation parameter: for probing into the impact of different machining parameters on workpiece, carries out contrast simulation by aspects such as the temperature to abrasive particle shape, abrasive grain speed size and direction, system.The speed of abrasive particle is 50m/s, 60m/s, 70m/s, 80m/s, 90m/s at-x direction setting.When carrying out bevelling Molecular Dynamics, on speed basis, x direction, setting-y direction is the speed of 4m/s, and the temperature of system is set as 293K, 300K, 310K, 320K respectively, adopts Nose-Hoover method for regulating temperature to carry out temperature adjustment to workpiece.On x, y direction, flexible boundary condition is adopted for simulation system, namely allows system to have the party's subtle change upwards, Z-direction adopts periodic boundary condition.Because the abrasive grain speed of abrasive particle Simulation of Grinding simulation is different, so simulation total step number is a value range.In fact, along with the carrying out of molecular dynamics simulation, phase path file will increase rapidly, even can write completely whole file system, and this just causes simulated data also overflow or exceed simulated system, causes the failure of simulation.Therefore, first must estimate the size of phase path file, avoid the phenomenon of data spill-over to occur.On the other hand, the phase path file data of output very little, is also unfavorable for the various character of statistics system.So consider, set simulation step number scope as being 20000 to 40000 steps, then simulated time is 20ps to 40ps.
This beneficial effect of the invention is: (1) utilizes Molecular Dynamics Method to analyze the Micro cutting Process of single abrasive particle in abrasive Flow Machining process, achieves the demarcation of workpiece newton layer discomposition in abrasive particle Micro cutting Process.By analyzing the change of workpiece discomposition, inquire into the packing phenomenon of chip formation mechenism and atom in abrasive particle Micro cutting Process, analysis is carried out to the atomic migration phenomenon of machined surface known, because abrasive particle is to the repulsion effect between the squeezing action of workpiece and inside workpiece atom, the part of atoms generation micro-displacement of inside workpiece, abrasive particle lower surface is to the rubbing action of surface of the work simultaneously, surface of the work atom produces with the consistent displacement in grain motion direction, realizes the micro-cutting processing of abrasive Flow.(2) molecular simulation visual software is utilized to analyze workpiece surface appearance, observe and show that the unrelieved stress that surface of the work exists and plastic yield are the reasons causing surface of the work to occur concavo-convex phenomenon, and find because the effect producing acting force when abrasive particle lower surface and absorption surface is different, the workpiece surface quality obtained after rectangular parallelepiped abrasive machining is poor, obtain workpiece surface quality after right cylinder abrasive machining good, this is that the research of abrasive Flow Machining technology provides theoretical foundation.(3) achieve the Molecular Dynamics of abrasive particle, point out that abrasive particle is in process, the bond angle of abrasive particle crystal can change, for theoretical foundation has been established in the follow-up research to abrasive particle crystal structure deformation in abrasive Flow Machining process.
Embodiment
Below in conjunction with embodiment, the specific embodiment of the present invention is described, better to understand the present invention.
Embodiment
In the present embodiment based on molecular dynamics abrasive Flow Machining method of numerical simulation, carry out numerical simulation study using single abrasive particle as cutter to process, its concrete steps are as follows:
(1) carry out the abrasive Flow Machining process simulation research based on molecular dynamics, research correlation parameter, on the impact of energy variation in abrasive Flow Machining, is write molecular dynamics and is set up realistic model and carry out Molecular Dynamics;
(2) according to molecular dynamics ultimate principle, set up the Molecular Dynamics Model of abrasive particle micro cutting, carry out the abrasive particle grinding numerical simulation based on molecular dynamics, by the numerical solution equation of motion, draw displacement and the speed of the relative machined material atom of abrasive particle atom, obtain the movement locus of not atom in the same time, probe into the removal of abrasive Flow Machining process Atom, surperficial potential variation;
(3) set forth the removal mechanisms at work of material from microcosmic angle, inquire into correlation parameter to the impact of energy variation in process, and to machined surface quality analysis;
(4) probe into after abrasive machining, the situation of change of abrasive particle, probe into the impact of abrasive Flow Machining on abrasive particle crystal structure from micro-scale.
In above-mentioned steps (1), the process of molecular dynamics simulation is divided into the following steps: (1) to theorize model to the simulated system that will emulate; (2) system initial parameter is set, comprise the atomic type of particle, boundary condition, atomic coordinates etc.; (3) selected rational potential function, is described interatomic acting force; (4) select computing method, solve the equation of motion; (5) complete the simulation step number of initial setting after relaxation, obtain particle trajectory file; (6) extract related physical quantity, analog result is analyzed.
In above-mentioned steps (2), as follows based on molecular dynamics abrasive Flow Machining numerical simulator operation steps:
(1) set up abrasive particle grinding model: the first step of molecular dynamics simulation builds chemical model, namely defines its micromechanism according to real material chemical composition, this comprises atomic species and atom number that system comprises.In molecular dynamics simulation, need the feature according to simulated system and computing equipment, determine suitable system scale.After establishing model, next step task be to the atom of set up system between the field of force be described.Adopt EAM gesture to describe power between copper atom in model, utilize Morse gesture to describe acting force between workpiece and abrasive particle, Tersoff gesture describes the interatomic acting force of cutter.
After the foundation of implementation model, need to set initiation parameter.Its parameters setting process sums up the following aspects: (a) chooses numerical integration and calculate or difference scheme, comprises Verlet algorithm, leapfrog algorithm etc.; Choosing of (b) numerical integration time step; C () describes intermolecular interaction, choosing of potential function, and truncation radius and truncation method etc.; When () calculates intermolecular force d, the simplified process method chosen, as neighbor table algorithm, grid indexing method, and parameter related to this; E () is to the demarcation of simulated system assemblage, and the algorithm of statistic ensemble when state variable N, P, T realize; F () simulated process parameter, comprises the step number etc. of relaxation and analogue simulation.G the setting of () simulated experiment parameter, according to experiment content to speed, temperature is demarcated.
(2) Initialize installation of model: for determining that the General Requirements of simulating configuration and initial velocity is: (a) is in monoatomic molecules system and small molecule systems simulation, as long as the temperature of simulation is not too low, general ratio is easier to reach equilibrium state, can set the initial configuration of system randomly.But, must be noted that the shape of molecule too can not depart from equilibrium configuration, intermolecularly can not lean on mutually too near.Otherwise molecule internal stress and intermolecular repulsive force are too large, the equation of motion will be made to be in non-steady state, cause the failure of molecular dynamics simulation.If there is this failed situation, can geometries optimize be utilized, the structure of optimization system before molecular dynamics simulation, reduce the potential energy of system, guarantee normally carrying out of simulation process.B (), in crystal system, must guarantee that initial configuration is near equilibrium configuration, otherwise cannot reach equilibrium configuration by simulation.C (), for synthesis macromolecule, biomacromolecule system or macromolecular solution, according to the architectural feature determination initial configuration of large molecule and solvent, if configuration is wrong during the course, the large molecule of simulating is difficult to realize equilibrium configuration.D () setting initial velocity comparatively initial configuration is convenient and free, general by Maxwell velocity distribution, the initial velocity of an atom in setting system randomly.
(3) relaxation of simulated system: after starting condition sets, can not ensure that set initial condition parameters makes simulated system reach equilibrium state completely, this just needs, to system relaxation process, under the condition not adding external force, namely to make the equilibrium state that system self reaches stable.Namely before molecular dynamics simulation, allow system from calculating some steps, system exports energy and temperature parameter and reaches steady state (SS), can think that system tends to balance state, and the time calculating this process is called the relaxation time.Relaxation time unsuitable oversize also should not be too short, this is because the time, too short meeting made system not reach equilibrium state; Time is too much, and simulation process can be made very long, and calculated amount also can increase, and increases the load of computing machine.Relaxation process is a very important link in molecular dynamics simulation as can be seen here, and generally this relaxation process realizes often through the method for the thermostat layer atom of institute's Modling model being carried out to speed scale.
(4) determination of time integral step-length: in the molecular dynamics simulation of the present embodiment, for reducing simulated time, step-length chooses 1fs, counting yield can be made like this to promote, effectively can be analyzed data again.
(5) setting of molecular dynamics simulation correlation parameter: for probing into the impact of different machining parameters on workpiece, carries out contrast simulation by aspects such as the temperature to abrasive particle shape, abrasive grain speed size and direction, system.The speed of abrasive particle is 50m/s, 60m/s, 70m/s, 80m/s, 90m/s at-x direction setting.When carrying out bevelling Molecular Dynamics, on speed basis, x direction, setting-y direction is the speed of 4m/s, and the temperature of system is set as 293K, 300K, 310K, 320K respectively, adopts Nose-Hoover method for regulating temperature to carry out temperature adjustment to workpiece.Consider, set simulation step number scope as being 20000 to 40000 steps, then simulated time is 20ps to 40ps.
The above is the preferred embodiment of the present invention; it should be pointed out that for those skilled in the art, under the premise without departing from the principles of the invention; can also make some improvements and modifications, these improvements and modifications are also considered as protection scope of the present invention.
Claims (3)
1., based on a molecular dynamics abrasive Flow Machining method of numerical simulation, using single abrasive particle as cutter, numerical simulation study is carried out to process, it is characterized in that: concrete steps are as follows:
(1) carry out the abrasive Flow Machining process simulation research based on molecular dynamics, research correlation parameter, on the impact of energy variation in abrasive Flow Machining, is write molecular dynamics and is set up realistic model and carry out Molecular Dynamics;
(2) according to molecular dynamics ultimate principle, set up the Molecular Dynamics Model of abrasive particle micro cutting, carry out the abrasive particle grinding numerical simulation based on molecular dynamics, by the numerical solution equation of motion, draw displacement and the speed of the relative machined material atom of abrasive particle atom, obtain the movement locus of not atom in the same time, probe into the removal of abrasive Flow Machining process Atom, surperficial potential variation;
(3) set forth the removal mechanisms at work of material from microcosmic angle, inquire into correlation parameter to the impact of energy variation in process, and to machined surface quality analysis;
(4) probe into after abrasive machining, the situation of change of abrasive particle, probe into the impact of abrasive Flow Machining on abrasive particle crystal structure from micro-scale.
2. according to claim 1 based on molecular dynamics abrasive Flow Machining method of numerical simulation, it is characterized in that: in described step (1), the process of molecular dynamics simulation is divided into the following steps:
(1) simulated system that will emulate is theorized model;
(2) system initial parameter is set, comprise the atomic type of particle, boundary condition, atomic coordinates;
(3) selected rational potential function, is described interatomic acting force;
(4) select computing method, solve the equation of motion;
(5) complete the simulation step number of initial setting after relaxation, obtain particle trajectory file;
(6) extract related physical quantity, analog result is analyzed.
3. according to claim 1 based on molecular dynamics abrasive Flow Machining method of numerical simulation, it is characterized in that: in described step (2), as follows based on molecular dynamics abrasive Flow Machining numerical simulator operation steps:
(1) set up abrasive particle grinding model: the micromechanism defining it according to real material chemical composition, this comprises atomic species and atom number that system comprises; After establishing model, the field of force between the atom of set up system is described; Cutter is set as rigid body; Adopt EAM gesture to describe power between copper atom in model, utilize Morse gesture to describe acting force between workpiece and abrasive particle, Tersoff gesture describes the interatomic acting force of cutter; Model needs to set initiation parameter after setting up; Its parameters setting process sums up the following aspects: (a) chooses numerical integration and calculate or difference scheme, comprises Verlet algorithm, leapfrog algorithm; Choosing of (b) numerical integration time step; C () describes intermolecular interaction, choosing of potential function, and truncation radius and truncation method; When () calculates intermolecular force d, the simplified process method chosen, as neighbor table algorithm, grid indexing method, and parameter related to this; E () is to the demarcation of simulated system assemblage, and the algorithm of statistic ensemble when state variable N, P, T realize; F () simulated process parameter, comprises the step number of relaxation and analogue simulation; The setting of (g) simulated experiment parameter, according to experiment content to speed, temperature is demarcated;
(2) Initialize installation of model: for determining that the General Requirements of simulating configuration and initial velocity is: (a) is in monoatomic molecules system and small molecule systems simulation, as long as the temperature of simulation is not too low, general ratio is easier to reach equilibrium state, sets the initial configuration of system randomly; B (), in crystal system, must guarantee that initial configuration is near equilibrium configuration; C (), for synthesis macromolecule, biomacromolecule system or macromolecular solution, according to the architectural feature determination initial configuration of large molecule and solvent; D () setting initial velocity comparatively initial configuration is convenient and free, by Maxwell velocity distribution, and the initial velocity of an atom in setting system randomly;
(3) relaxation of simulated system: after starting condition sets, can not ensure that set initial condition parameters makes simulated system reach equilibrium state completely, this just needs, to system relaxation process, under the condition not adding external force, namely to make the equilibrium state that system self reaches stable; This relaxation process realizes often through the method for the thermostat layer atom of institute's Modling model being carried out to speed scale;
(4) determination of time integral step-length: step-length chooses 1fs;
(5) setting of molecular dynamics simulation correlation parameter: for probing into the impact of different machining parameters on workpiece, carries out contrast simulation by aspects such as the temperature to abrasive particle shape, abrasive grain speed size and direction, system; The speed of abrasive particle is 50m/s, 60m/s, 70m/s, 80m/s, 90m/s at-x direction setting; When carrying out bevelling Molecular Dynamics, on speed basis, x direction, setting-y direction is the speed of 4m/s, and the temperature of system is set as 293K, 300K, 310K, 320K respectively, adopts Nose-Hoover method for regulating temperature to carry out temperature adjustment to workpiece; On x, y direction, flexible boundary condition is adopted for simulation system, namely allows system to have the party's subtle change upwards, Z-direction adopts periodic boundary condition; Set simulation step number scope as being 20000 to 40000 steps, then simulated time is 20ps to 40ps.
Priority Applications (1)
| Application Number | Priority Date | Filing Date | Title |
|---|---|---|---|
| CN201510112567.2A CN104657564B (en) | 2015-03-16 | 2015-03-16 | Based on molecular dynamics abrasive Flow Machining method of numerical simulation |
Applications Claiming Priority (1)
| Application Number | Priority Date | Filing Date | Title |
|---|---|---|---|
| CN201510112567.2A CN104657564B (en) | 2015-03-16 | 2015-03-16 | Based on molecular dynamics abrasive Flow Machining method of numerical simulation |
Publications (2)
| Publication Number | Publication Date |
|---|---|
| CN104657564A true CN104657564A (en) | 2015-05-27 |
| CN104657564B CN104657564B (en) | 2017-07-21 |
Family
ID=53248684
Family Applications (1)
| Application Number | Title | Priority Date | Filing Date |
|---|---|---|---|
| CN201510112567.2A Expired - Fee Related CN104657564B (en) | 2015-03-16 | 2015-03-16 | Based on molecular dynamics abrasive Flow Machining method of numerical simulation |
Country Status (1)
| Country | Link |
|---|---|
| CN (1) | CN104657564B (en) |
Cited By (22)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN105138744A (en) * | 2015-08-07 | 2015-12-09 | 长春理工大学 | Dissipative particle dynamics simulation method for grinding liquid particle characteristics |
| CN106363468A (en) * | 2016-12-02 | 2017-02-01 | 苏州辛德斯机器人系统工程有限公司 | Mechanical polishing treatment method and mechanical polishing treatment device |
| CN108416119A (en) * | 2018-02-12 | 2018-08-17 | 大连理工大学 | A method of carbon nanotube mechanical property is tested based on molecular dynamics simulation |
| CN108664758A (en) * | 2018-03-07 | 2018-10-16 | 苏州工业职业技术学院 | A kind of Hi-Stren steel titanium carbide precipitation analog simulation method |
| CN109192249A (en) * | 2018-10-24 | 2019-01-11 | 辽宁石油化工大学 | It is a kind of using edge dislocation as the modeling method of the sinusoidal waveform dislocation atomic structure of axis |
| CN109473144A (en) * | 2018-10-30 | 2019-03-15 | 中国石油大学(华东) | A method of building macromolecule and the full atom model of supercritical carbon dioxide mixed system |
| CN109543272A (en) * | 2018-11-14 | 2019-03-29 | 中南大学 | A kind of composite material frictional behaviour prediction technique based on molecular dynamics |
| CN109635333A (en) * | 2018-11-09 | 2019-04-16 | 浙江上洋机械股份有限公司 | A kind of structural optimization method of spherical tea process equipment |
| CN109785913A (en) * | 2019-01-18 | 2019-05-21 | 南京航空航天大学 | The method that high throughput calculates research and development novel high polymer resin matrix |
| CN109883649A (en) * | 2019-03-14 | 2019-06-14 | 北京石油化工学院 | The method for studying nano-fluid flow behavior in nanochannel by simulation model |
| CN110096832A (en) * | 2019-04-30 | 2019-08-06 | 天津大学 | A kind of efficient Nanometric Cutting by Molecular Dynamics method for numerical simulation |
| CN110334462A (en) * | 2019-07-12 | 2019-10-15 | 长春理工大学 | A kind of solid-liquid two-phase abrasive Flow Precision Machining molecular dynamics construction method |
| CN111056546A (en) * | 2020-01-02 | 2020-04-24 | 兰州理工大学 | Method for continuously preparing carbon nano material, carbon atom chain and graphene |
| CN111161805A (en) * | 2019-12-20 | 2020-05-15 | 有研工程技术研究院有限公司 | Analysis and statistics method for characteristic data of nanoparticle aggregation growth simulation process |
| CN112820356A (en) * | 2021-01-29 | 2021-05-18 | 广东工业大学 | Method for quickly applying molecular dynamics boundary conditions based on geometric boundary operation |
| CN113505517A (en) * | 2021-05-18 | 2021-10-15 | 有研工程技术研究院有限公司 | Method for correcting interaction potential DLVO formula among colloid particles |
| CN113806917A (en) * | 2021-08-20 | 2021-12-17 | 国网浙江省电力有限公司湖州供电公司 | Method, recording medium and system for simulation test of mechanical properties of SiC/Al composite material |
| CN114065553A (en) * | 2021-12-31 | 2022-02-18 | 华侨大学 | Method for establishing molecular dynamics model of anisotropic single crystal material |
| WO2022042522A1 (en) * | 2020-08-28 | 2022-03-03 | 武汉大学 | Computer simulation method and device for substances and materials |
| CN114323950A (en) * | 2021-12-31 | 2022-04-12 | 华侨大学 | Molecular dynamics model verification method based on mechanical test result |
| CN115008324A (en) * | 2022-05-24 | 2022-09-06 | 河北工业大学 | Screening method and processing method of superhard material suitable for steering precision grinding |
| CN117012292A (en) * | 2023-08-03 | 2023-11-07 | 盐城师范学院 | Research simulation method and system for tree-shaped molecular structure in self-driven particle bath |
Citations (3)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN101654222A (en) * | 2009-09-04 | 2010-02-24 | 天津大学 | Three-dimensional nanometer-grade cutting simulation method based on molecular dynamics |
| CN102184276A (en) * | 2011-03-21 | 2011-09-14 | 西安交通大学 | Method for optimizing feeding speed in cutting machining |
| CN104112042A (en) * | 2014-08-26 | 2014-10-22 | 同济大学 | Measuring method for diamond coating film-substrate interface bonding strength based on molecular dynamics |
-
2015
- 2015-03-16 CN CN201510112567.2A patent/CN104657564B/en not_active Expired - Fee Related
Patent Citations (3)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN101654222A (en) * | 2009-09-04 | 2010-02-24 | 天津大学 | Three-dimensional nanometer-grade cutting simulation method based on molecular dynamics |
| CN102184276A (en) * | 2011-03-21 | 2011-09-14 | 西安交通大学 | Method for optimizing feeding speed in cutting machining |
| CN104112042A (en) * | 2014-08-26 | 2014-10-22 | 同济大学 | Measuring method for diamond coating film-substrate interface bonding strength based on molecular dynamics |
Non-Patent Citations (2)
| Title |
|---|
| CHEN YUNHUI ETC.: "MD simulation of nanometric cutting of copper with and without water lubrication", 《SCIENCE CHINA(TECHNOLOGICAL SCIENCES)》 * |
| 张伟文 等: "纳米磨削磨屑形成分子动力学仿真研究", 《中国机械工程》 * |
Cited By (30)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN105138744A (en) * | 2015-08-07 | 2015-12-09 | 长春理工大学 | Dissipative particle dynamics simulation method for grinding liquid particle characteristics |
| CN105138744B (en) * | 2015-08-07 | 2018-02-02 | 长春理工大学 | A kind of Dissipative Particle Dynamics Simulation method of lapping liquid particle characteristics |
| CN106363468A (en) * | 2016-12-02 | 2017-02-01 | 苏州辛德斯机器人系统工程有限公司 | Mechanical polishing treatment method and mechanical polishing treatment device |
| CN106363468B (en) * | 2016-12-02 | 2018-06-08 | 苏州辛德斯机器人系统工程有限公司 | The modeling and simulating method and device of mechanical polishing process |
| CN108416119A (en) * | 2018-02-12 | 2018-08-17 | 大连理工大学 | A method of carbon nanotube mechanical property is tested based on molecular dynamics simulation |
| CN108664758A (en) * | 2018-03-07 | 2018-10-16 | 苏州工业职业技术学院 | A kind of Hi-Stren steel titanium carbide precipitation analog simulation method |
| CN109192249A (en) * | 2018-10-24 | 2019-01-11 | 辽宁石油化工大学 | It is a kind of using edge dislocation as the modeling method of the sinusoidal waveform dislocation atomic structure of axis |
| CN109473144A (en) * | 2018-10-30 | 2019-03-15 | 中国石油大学(华东) | A method of building macromolecule and the full atom model of supercritical carbon dioxide mixed system |
| CN109635333B (en) * | 2018-11-09 | 2023-04-07 | 浙江上洋机械股份有限公司 | Structure optimization method of spherical tea processing equipment |
| CN109635333A (en) * | 2018-11-09 | 2019-04-16 | 浙江上洋机械股份有限公司 | A kind of structural optimization method of spherical tea process equipment |
| CN109543272A (en) * | 2018-11-14 | 2019-03-29 | 中南大学 | A kind of composite material frictional behaviour prediction technique based on molecular dynamics |
| CN109785913A (en) * | 2019-01-18 | 2019-05-21 | 南京航空航天大学 | The method that high throughput calculates research and development novel high polymer resin matrix |
| CN109883649A (en) * | 2019-03-14 | 2019-06-14 | 北京石油化工学院 | The method for studying nano-fluid flow behavior in nanochannel by simulation model |
| CN110096832A (en) * | 2019-04-30 | 2019-08-06 | 天津大学 | A kind of efficient Nanometric Cutting by Molecular Dynamics method for numerical simulation |
| CN110334462A (en) * | 2019-07-12 | 2019-10-15 | 长春理工大学 | A kind of solid-liquid two-phase abrasive Flow Precision Machining molecular dynamics construction method |
| CN111161805A (en) * | 2019-12-20 | 2020-05-15 | 有研工程技术研究院有限公司 | Analysis and statistics method for characteristic data of nanoparticle aggregation growth simulation process |
| CN111056546A (en) * | 2020-01-02 | 2020-04-24 | 兰州理工大学 | Method for continuously preparing carbon nano material, carbon atom chain and graphene |
| CN111056546B (en) * | 2020-01-02 | 2023-05-23 | 兰州理工大学 | Method for continuously preparing carbon nanomaterial, carbon atom chain and graphene |
| WO2022042522A1 (en) * | 2020-08-28 | 2022-03-03 | 武汉大学 | Computer simulation method and device for substances and materials |
| CN112820356B (en) * | 2021-01-29 | 2023-03-17 | 广东工业大学 | Method for quickly applying molecular dynamics boundary conditions based on geometric boundary operation |
| CN112820356A (en) * | 2021-01-29 | 2021-05-18 | 广东工业大学 | Method for quickly applying molecular dynamics boundary conditions based on geometric boundary operation |
| CN113505517A (en) * | 2021-05-18 | 2021-10-15 | 有研工程技术研究院有限公司 | Method for correcting interaction potential DLVO formula among colloid particles |
| CN113505517B (en) * | 2021-05-18 | 2024-05-31 | 有研工程技术研究院有限公司 | Method for correcting DLVO formula of interaction potential among colloid particles |
| CN113806917A (en) * | 2021-08-20 | 2021-12-17 | 国网浙江省电力有限公司湖州供电公司 | Method, recording medium and system for simulation test of mechanical properties of SiC/Al composite material |
| CN114065553A (en) * | 2021-12-31 | 2022-02-18 | 华侨大学 | Method for establishing molecular dynamics model of anisotropic single crystal material |
| CN114323950A (en) * | 2021-12-31 | 2022-04-12 | 华侨大学 | Molecular dynamics model verification method based on mechanical test result |
| CN115008324A (en) * | 2022-05-24 | 2022-09-06 | 河北工业大学 | Screening method and processing method of superhard material suitable for steering precision grinding |
| CN115008324B (en) * | 2022-05-24 | 2023-08-01 | 河北工业大学 | Screening method and processing method of superhard material suitable for steering precise grinding |
| CN117012292A (en) * | 2023-08-03 | 2023-11-07 | 盐城师范学院 | Research simulation method and system for tree-shaped molecular structure in self-driven particle bath |
| CN117012292B (en) * | 2023-08-03 | 2024-02-09 | 盐城师范学院 | Research simulation method and system for tree-shaped molecular structure in self-driven particle bath |
Also Published As
| Publication number | Publication date |
|---|---|
| CN104657564B (en) | 2017-07-21 |
Similar Documents
| Publication | Publication Date | Title |
|---|---|---|
| CN104657564A (en) | Abrasive flow machining numerical simulation research method based on molecular dynamics | |
| Klocke et al. | Examples of FEM application in manufacturing technology | |
| Zhang et al. | Modeling and simulation of the distribution of undeformed chip thicknesses in surface grinding | |
| Dai et al. | The effect of tool geometry on subsurface damage and material removal in nanometric cutting single-crystal silicon by a molecular dynamics simulation | |
| Goel et al. | Influence of temperature and crystal orientation on tool wear during single point diamond turning of silicon | |
| Chen et al. | Molecular dynamics simulations of scratching characteristics in vibration-assisted nano-scratch of single-crystal silicon | |
| Fu et al. | Rheological characterisation of abrasive media and finishing behaviours in abrasive flow machining | |
| Chen et al. | A study of the surface scallop generating mechanism in the ball-end milling process | |
| Yang et al. | Finite element simulation of surface roughness in diamond turning of spherical surfaces | |
| He et al. | Theoretical and empirical coupled modeling on the surface roughness in diamond turning | |
| CN102750404B (en) | Construction method of flow field numerical model in minimum quantity lubrication cutting area | |
| CN101654222B (en) | Three-dimensional nanometer-grade cutting simulation method based on molecular dynamics | |
| Surmann et al. | Simulation of milling tool vibration trajectories along changing engagement conditions | |
| Zhang et al. | Evaluation of repeated single-point diamond turning on the deformation behavior of monocrystalline silicon via molecular dynamic simulations | |
| Li et al. | Formation mechanism and quality control technology for abrasive flow precision polishing vortex: large eddy simulation | |
| Shipulin | Complex model of surface grinding | |
| Fu et al. | Influence of the heat deformation of ultra-precision fly cutting tools on KDP crystal surface microstructure | |
| Han et al. | A review of molecular dynamics simulation in studying surface generation mechanism in ultra-precision cutting | |
| Chen et al. | The equal theoretical surface roughness grinding method for gear generating grinding | |
| Saelzer et al. | Modelling of the friction in the chip formation zone depending on the rake face topography | |
| Yu et al. | CFD simulation and experimental studies of suspension flow field in ultrasonic polishing | |
| Wang et al. | Effect of dynamic adjustment of diamond tools on nano-cutting behavior of single-crystal silicon | |
| Rabiey et al. | Simulation of workpiece surface roughness after flat grinding by electroplated wheel | |
| Qu et al. | A simulation model for predicting three-dimensional surface morphology in ultra-precision roll die turning | |
| Mangesh et al. | Finite element analysis of viscoelastic media used in abrasive flow machining process |
Legal Events
| Date | Code | Title | Description |
|---|---|---|---|
| C06 | Publication | ||
| PB01 | Publication | ||
| C10 | Entry into substantive examination | ||
| SE01 | Entry into force of request for substantive examination | ||
| GR01 | Patent grant | ||
| CF01 | Termination of patent right due to non-payment of annual fee |
Granted publication date: 20170721 |
|
| CF01 | Termination of patent right due to non-payment of annual fee |