CN108959698A - A kind of metal erosion morphological Simulation method based on three-dimensional cellular automaton technology - Google Patents
A kind of metal erosion morphological Simulation method based on three-dimensional cellular automaton technology Download PDFInfo
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Abstract
The metal erosion morphological Simulation method based on three-dimensional cellular automaton technology that the invention discloses a kind of, including step 1, foundation three-dimensional cellular space, determine boundary condition；Step 2 determines cellular type, and determines the cellular attribute on each case in cellular space；Step 3, the Diffusion Law by corrosive particles, the chemical reaction occurred in metallic surface passivating film Regularity and corrosion process determine the transformation rule of cellular；Step 4, simulation are under same environment, the evolutionary process of same component homogeneous corrosion and spot corrosion；The uniform corrosion rate model that test obtains is compared by step 5 with the homogeneous corrosion evolution rate of simulation, obtains the corresponding relationship between etching time and step-length；Step 6 handles the Cellular Automata Simulation result of spot corrosion, simulates the evolution rule and fractions distribution of spot corrosion.The present invention can be used for simulating under specific external environment, the method that metal component really corrodes evolutionary process, provide basis for subsequent anticorrosion research.
Description
Technical field
The invention belongs to Process of Metallic Corrosion analogue technique fields, and in particular to one kind is based on three-dimensional cellular automaton technology
Metal erosion morphological Simulation method.
Background technique
Seriously corroded affects military service performance and the fatigue life of metal component.In all corrosion types, spot corrosion is
One of the most common corrosion failure form of metal component, and the destructive and maximum Corrosion Types of hidden danger.Spot corrosion is one non-
Often complicated process, wherein contain many physical chemical phenomenons, such as dissolving metal and passivation, hydrogen embrittlement, stress concentrate and
Transfer and accumulation of corrosion product etc..Meanwhile spot corrosion influence factor is also very much, chemical component, the pH value of medium such as metal
With temperature, the ingredient of medium and concentration and the movement velocity of medium composition etc..Variability and metal due to external environment
Mechanical behavior, electrochemical behavior and anticorrosion properties intercouple caused by material corrosion behavior complexity, point deteriorates
It is practically impossible to be accurately measured and predict for wound.Therefore need to establish a kind of corrosion damage mechanism and process of being able to reflect
Metal erosion damage model, to investigate influence of the different factors to corrosion damage process.
In recent years, cellular automata (Cellular Automaton, CA) technology is gradually applied to material science
Many fields, especially corrosion science field.But existing some metal erosion models use two-dimensional cellular automata technology,
Problem is planar only described, has ignored the spatial evolution behavior of corrosion process.Or only in the case where microscopic scale or the sight that is situated between are horizontal
System is modeled, can not reflect the influence corroded to component macro property.Simultaneously, fixed in the program of cellular automata
The time of the mobile case of the time step of justice, i.e. cellular is to be manually set, this cause the corrosion behavior in CA model without
Method really reflects reality the corrosion behavior in service phase, therefore how it is carried out corresponding and matching with practical etching time and be still
Urgent problem to be solved.
It is perfect therefore, it is necessary to be carried out to existing cellular automata technology, and propose that one kind is able to reflect metal structure with this
The metal erosion morphological Simulation method that part reality spot corrosion is developed.
Summary of the invention
To solve the above problems, can be used for simulating the invention discloses a kind of based on three-dimensional cellular automaton technology
Under specific external environment, the method that metal component really corrodes evolutionary process provides basis for subsequent anticorrosion research.
In order to achieve the above objectives, technical scheme is as follows:
A kind of metal erosion morphological Simulation method based on three-dimensional cellular automaton technology, comprising the following steps:
Step 1, the geometric shape of Component- Based Development choose coordinate set type, according to corrosion simulated required precision by metal structure
Part and extraneous corrosive environment are divided into the array of cellular composition, establish three-dimensional cellular space, and determine boundary condition；
Step 2, each type for determining cellular, and cellular sky is determined according to construction material attribute and external environment situation
Between cellular attribute on each case；
Step 3, in cellular automata space, each cellular can be converted with neighbours' cellular, the conversion of cellular rule
Then by the Diffusion Law of corrosive particles, the chemical reaction that occurs in metallic surface passivating film Regularity and corrosion process and
It is fixed；
Step 4, according to above three step, using three-dimensional cellular automaton technology, under same environment, to same component
Homogeneous corrosion and spot corrosion evolutionary process are simulated；
Step 5, progress Laboratory-Accelerated Corrosion or natural air exposed experiment obtain uniform corrosion rate model, and
The model is compared with homogeneous corrosion evolution rate obtained in the step 4, obtains real etching time and cellular certainly
Corresponding relationship in motivation between etching time step-length；
Step 6, the etching time corresponding relationship according to obtained in the step 5, by the Cellular Automata Simulation knot of spot corrosion
Fruit is handled, i.e., the evolution rule and fractions distribution of spot corrosion in analog reality.
Further, in the method for the present invention, three kinds of cellular types that the step 2 relates generally to are as follows:
A) metal cellular M: metal cellular being corroded property cellular erode, in entire simulation process, its position
It remains unchanged；
B) passivating film cellular F: when simulating spot corrosion evolutionary process, the passivating film cellular of original state can cover outermost layer gold
Belong to cellular, position is substantially stationary, but in simulation process, and initial imperfection can occur at random in passivating film, at this time the passivation of the position
Membrane element born of the same parents can be transformed into metal cellular；
C) corrode cellular C: corrosion cellular random distribution in the solution, is corrosive, can erode metal cellular, can
It moves freely, in three-dimensional cellular space, every a time step, corroding cellular be can be randomly selected along reference axis
Some direction is mobile.
Further, in the method for the present invention, there are mainly three types of the Neighbor Types of the step 3, respectively 6 neighbours' cellulars,
18 neighbours' cellulars and 26 neighbours' cellulars.In each time step, all corrosion cellular C STOCHASTIC DIFFUSIONs, i.e., selectively
Ground jumps to its some neighbours' case.Before metal generates spot corrosion, the passivating film of metal surface is damaged, leads to going out for initial imperfection
Now to cause the nucleation and growth of point corrosion pit, during Cellular Automata Simulation, it is believed that passivating film cellular occurs damaged
Time point obeys a certain random distribution makes certain passivating film cellulars in different simulated time points by the way of random sampling
On be randomly converted into metal cellular.After metal oxide film surface is damaged, exposed metal surface occurs in a humid environment
Electrochemical reaction, anode gradually dissolve, if not considering the re-oxidation of metal surface in corrosion process, aqueous solution or wet environment
The fundamental reaction general formula of middle dissolving metal are as follows:
Me+H2O→MeOHaq+(1/2)H2
In formula, MeOHaqEnter the substance in solution later for reaction, subsequent corrosion process is not influenced, is not given
Consider.In cellular Automation Model, which can be expressed as:
M+C→C
This process type refers to when dissolving metal, and the cellular C that is corroded of case locating for metal cellular M is occupied, and corresponding
The case state of corrosion cellular C become empty.To sum up, in the Cellular Automata Simulation of metal erosion, cellular convert the step of
It is as follows:
1) in a time step, the cellular C on case (i, j, k) randomly chooses neighbours' case in a direction, and
Prepare mobile to neighbours' case:
If 2) the neighbours' case selected in step 1) is occupied by other cellulars C, cellular C is maintained at its initial case
On (jik)；
If 3) the neighbours' case selected in step 1) is sky, but has other cellulars C also to prepare to jump on neighbours' case,
Cellular C is maintained on its initial case (i, j, k)；
If 4) the neighbours' case selected in step 1) is sky, and jumps to this neighbours' case without the preparation of other cellulars,
Then cellular C jumps to neighbours' case, and former case (i, j, k) becomes empty；
5) if the neighbours' case selected in step 1) is cellular M, but has other cellulars C preparation to jump to the case, this yuan
Born of the same parents C is maintained on its initial case (i, j, k)；
If 6) the neighbours' case selected in step 1) is cellular M, and jumps to this case without other cellulars C preparation,
Then cellular M disappears, and cellular C jumps to neighbours' case, and former case (i, j, k) is occupied by empty cellular；
7) if the neighbours' case selected in step 1) is cellular F, and cellular C is located at metal outer, then cellular C is kept
On its initial case (i, j, k)；
8) if the neighbours' case selected in step 1) is cellular F, and cellular C is in metal inside, but has other cellulars C
Also prepare to jump to the case, then cellular C is maintained on its initial case (i, j, k)；
9) if the neighbours' case selected in step 1) is cellular F, and cellular C is in metal inside, without other cellulars C
This case is jumped in preparation, then cellular F disappears, and cellular C jumps to neighbours' case, and former case (i, j, k) is occupied by empty cellular；
If 10) certain cellular F at the time point when occur broken, the cellular F of the case becomes cellular M.
Further, in the method for the present invention, the difference of homogeneous corrosion and spot corrosion is the cellular of spot corrosion model in the step 4
It is middle to there is random damaged passivating film cellular F, and the cellular in homogeneous corrosion model same position is metal cellular M.
Further, in the method for the present invention, the uniform corrosion rate model in the step 5 refers to corrosion depth at any time
Between the rule that changes, generally described using power function model:
H=KTn
Wherein, H is metal erosion depth；K, n are coefficients；T is exposure duration.
The method of the present invention is simulated using three-dimensional cellular automaton technology under specific external environment, the point of metal component
Lose evolutionary process.
The beneficial effects of the present invention are:
A kind of metal erosion morphological Simulation method based on three-dimensional cellular automaton technology that the present invention establishes, uses first
Cellular automata technical method constructs the evolutionary process of discrete dynamical systems a modeling metal homogeneous corrosion and spot corrosion, so
The result of the result of Outdoor exposure test or laboratory accelerated test and homogeneous corrosion simulation is compared afterwards to obtain real corruption
The corresponding relationship in time and cellular automata between etching time step-length is lost, finally to the Cellular Automata Simulation result of spot corrosion
It is handled, so that it may simulate the evolution rule and fractions distribution of spot corrosion in reality.The present invention: 1) using be easy measurement and
The result of the homogeneous corrosion test of description establishes the corresponding relationship of cellular Automation Model and real etching time；2) it can obtain
Under various circumstances, the spot corrosion Evolution and etch state of various three-dimensional macro components.The present invention can be research corrosion resistant member
Performance, predict that the work of the fatigue life of corrosion resistant member or the corrosion fatigue life of component provides three-dimensional early period corrosion resistant member mould
Type.
Detailed description of the invention
Fig. 1 is the flow chart of spot corrosion morphological Simulation of the present invention；
Fig. 2 is three-dimensional cube cellular space schematic diagram in example；
Fig. 3 is cellular Neighbor Types schematic diagram；
Fig. 4 is the homogeneous corrosion situation of component surface in example；
Fig. 5 is the spot corrosion situation of component surface in example；
Fig. 6 is the simulation pattern schematic diagram of surface pitting when component is on active service 15 years in example.
Specific embodiment
With reference to the accompanying drawings and detailed description, the present invention is furture elucidated, it should be understood that following specific embodiments are only
For illustrating the present invention rather than limiting the scope of the invention.
As shown in Figure 1, a kind of metal erosion morphological Simulation method master based on three-dimensional cellular automaton technology of the invention
It comprises the following steps:
1. the geometric shape of Component- Based Development, choose coordinate set type, according to corrosion simulated required precision by metal component and
Extraneous corrosive environment is divided into the array of cellular composition, establishes three-dimensional cellular space, and determine boundary condition；
2. determining each type of cellular, and determine that cellular space is each according to construction material attribute and external environment situation
Cellular attribute on case；
3. each cellular can be converted with neighbours' cellular in cellular space, the transformation rule of cellular is by corrosion
The Diffusion Law of grain, depending on the chemical reaction occurred in metallic surface passivating film Regularity and corrosion process；
4. uniform to same component under same environment using three-dimensional cellular automaton technology according to above three step
Corrosion and spot corrosion evolutionary process are simulated；
5. carrying out Laboratory-Accelerated Corrosion or natural air exposed experiment obtaining uniform corrosion rate model, and should
Model is compared with homogeneous corrosion evolution rate obtained in the step 4, obtains real etching time and cellular automata
Corresponding relationship between middle etching time step-length；
6. according to etching time corresponding relationship obtained in the step 5, by the Cellular Automata Simulation result of spot corrosion into
Row processing, i.e., the evolution rule and fractions distribution of spot corrosion in analog reality.
In step 1, the geometric shape of Component- Based Development chooses coordinate set type, will be golden according to corrosion simulated required precision
Metal elements and extraneous corrosive environment are divided into the array of cellular composition, establish three-dimensional cellular space, and determine boundary condition.As
Example chooses cartesian coordinate system for the cuboid component of 50mm*50mm*6mm, and by it along the direction x, the direction y and z
Direction is divided every 1mm, 1mm and 0.2mm, is established three-dimensional cube space (50*50*60) with this, schematic diagram such as Fig. 2 institute
Show.The boundary condition of selection is constant value type boundary condition, i.e., cellular takes a certain Fixed constant outside boundary, simulates limited member with this
Born of the same parents space.
In step 2, it determines each type of cellular, and member is determined according to construction material attribute and external environment situation
Cellular attribute on each case in born of the same parents space.In the Cellular Automata Simulation system of metal erosion, it is mainly concerned with three kinds of cellulars
Type:
A) metal cellular M: metal cellular being corroded property cellular erode, in entire simulation process, its position
It remains unchanged；
B) passivating film cellular F: when simulating spot corrosion evolutionary process, the passivating film cellular of original state can cover outermost layer gold
Belong to cellular, position is substantially stationary, but in simulation process, and initial imperfection can occur at random in passivating film, at this time the passivation of the position
Membrane element born of the same parents can be transformed into metal cellular；
C) corrode cellular C: corrosion cellular random distribution in the solution, is corrosive, can erode metal cellular, can
It moves freely, in three-dimensional cellular space, every a time step, corroding cellular be can be randomly selected along reference axis
Some direction is mobile.
Then the original state of cellular on each case is determined according to the size of metal component and corrosive solution concentration.
As an example, the lower part in cellular space is metal block in the three-dimensional cube space of 50*50*60, by metal member
Born of the same parents M composition, with a thickness of 30；Top is solution space, and corrosion cellular C is randomly dispersed in solution space；Metal block surface from
So oxidation film is indicated by one layer of passivating film cellular F being covered on outermost metal cellular, as shown in Figure 2.
In step 3, in cellular automata space, each cellular can be converted with neighbours' cellular, the conversion of cellular
Rule by corrosive particles Diffusion Law, the chemical reaction occurred in metallic surface passivating film Regularity and corrosion process and
It is fixed.As shown in figure 3, there are mainly three types of the Neighbor Types of three-dimensional cellular automaton, respectively 6 neighbours' cellulars, 18 neighbours' cellulars with
And 26 neighbours' cellular.In each time step, it is a certain selectively to jump to its for all corrosion cellular C STOCHASTIC DIFFUSIONs
A neighbours' case.Before metal generates spot corrosion, the passivating film of metal surface is damaged, causes the appearance of initial imperfection to cause a little
The nucleation and growth of etch pit, during Cellular Automata Simulation, it is believed that the time point that breakage occurs in passivating film cellular obeys certain
One random distribution converts certain passivating film cellulars randomly on different simulated time points by the way of random sampling
At metal cellular.After metal oxide film surface is damaged, electrochemical reaction occurs in a humid environment for exposed metal surface, sun
Pole is gradually dissolved, if not considering the re-oxidation of metal surface in corrosion process, dissolving metal in aqueous solution or wet environment
Fundamental reaction general formula are as follows:
Me+H2O→MeOHaq+(1/2)H2
In formula, MeOHaqEnter the substance in solution later for reaction, subsequent corrosion process is not influenced, is not given
Consider.In cellular Automation Model, which can be expressed as:
M+C→C
This process type refers to when dissolving metal, and the cellular C that is corroded of case locating for metal cellular M is occupied, and corresponding
The case state of corrosion cellular C become empty.To sum up, in the Cellular Automata Simulation of metal erosion, cellular convert the step of
It is as follows:
1) in a time step, the cellular C on case (i, j, k) randomly chooses neighbours' case in a direction, and
Prepare mobile to neighbours' case；
If 2) the neighbours' case selected in step 1) is occupied by other cellulars C, cellular C is maintained at its initial case
On (jik)；
If 3) the neighbours' case selected in step 1) is sky, but has other cellulars C also to prepare to jump on neighbours' case,
Cellular C is maintained on its initial case (i, j, k)；
If 4) the neighbours' case selected in step 1) is sky, and jumps to this neighbours' case without the preparation of other cellulars,
Cellular C jumps to neighbours' case, and former case (i, j, k) becomes empty；
5) if the neighbours' case selected in step 1) is cellular M, but has other cellulars C preparation to jump to the case, this yuan
Born of the same parents C is maintained on its initial case (i, j, k)；
If 6) the neighbours' case selected in step 1) is cellular M, and jumps to this case without other cellulars C preparation,
Then cellular M disappears, and cellular C jumps to neighbours' case, and former case (i, j, k) is occupied by empty cellular；
7) if the neighbours' case selected in step 1) is cellular F, and cellular C is located at metal outer, then cellular C is kept
On its initial case (i, j, k)；
8) if the neighbours' case selected in step 1) is cellular F, and cellular C is in metal inside, but has other cellulars C
Also prepare to jump to the case, then cellular C is maintained on its initial case (i, j, k)；
9) if the neighbours' case selected in step 1) is cellular F, and cellular C is in metal inside, without other cellulars C
This case is jumped in preparation, then cellular F disappears, and cellular C jumps to neighbours' case, and former case (i, j, k) is occupied by empty cellular；
If 10) certain cellular F at the time point when occur broken, the cellular F of the case becomes cellular M.
In step 4, according to above three step, using three-dimensional cellular automaton technology, under same environment, to same structure
Part homogeneous corrosion and spot corrosion evolutionary process are simulated；In Cellular Automata Simulation, the difference of homogeneous corrosion and spot corrosion is a little
It loses in the cellular of model and there is random damaged passivating film cellular F, and in homogeneous corrosion model same position be metal cellular M；
This shows that, for spot corrosion model, only damaged position, which occurs, in passivating film can just occur dissolving metal, and for homogeneous corrosion mould
Type, each position in metal surface are likely to that corrosion reaction occurs.
As an example, simulated in the three-dimensional cube space of 50*50*60 with MATLAB software programming shell script,
Corrosion process of the cuboid component of 50mm*50mm*6mm in the corrosive environment that solution concentration is 0.1, time step 100
The homogeneous corrosion of component surface when step as shown in figure 4, the case where spot corrosion it is as shown in Figure 5.
In step 5, carries out Laboratory-Accelerated Corrosion or natural air exposed experiment obtains uniform corrosion rate model,
And be compared the model with homogeneous corrosion evolution rate obtained in the step 4, obtain real etching time and cellular
Corresponding relationship in automatic machine between etching time step-length；Under normal circumstances, described using power function model corrosion depth with
The rule of time change:
H=KTn
Wherein, H is metal erosion depth；K, n are coefficients；T is exposure duration.
As an example, the corrosion rate mould for the low-alloy high-tensile structural steel 16Mn that 16 years atmospheric exposure corrosion tests obtain
Type (Beijing Ambient environment) are as follows:
H=0.032T0.44
The etching time corresponding relationship of itself and exemplary cellular Automation Model in the step 4 is
0.001362t1.001=0.032T0.44
Wherein, t is the time step of cellular Automation Model, and T is the exposure duration of metal.
In step 6, according to etching time corresponding relationship obtained in the step 5, by the Cellular Automata Simulation of spot corrosion
As a result it is handled, i.e., the evolution rule and fractions distribution of spot corrosion in analog reality.
As an example, the cuboid component of 50mm*50mm*6mm is under Beijing Ambient environment, point when being on active service 15 years
Erosion simulation pattern is as shown in Figure 5.
The technical means disclosed in the embodiments of the present invention is not limited only to technological means disclosed in above embodiment, further includes
Technical solution consisting of any combination of the above technical features.
Claims (4)
1. a kind of metal erosion morphological Simulation method based on three-dimensional cellular automaton technology, which is characterized in that this method includes
Following steps:
Step 1, the geometric shape of Component- Based Development choose coordinate set type, according to corrosion simulated required precision by metal component and
Extraneous corrosive environment is divided into the array of cellular composition, establishes three-dimensional cellular space, and determine boundary condition；
Step 2, each type for determining cellular, and determine that cellular space is each according to construction material attribute and external environment situation
Cellular attribute on case；
Step 3, in cellular automata space, each cellular is converted with neighbours' cellular, and the transformation rule of cellular is by corroding
Depending on the chemical reaction occurred in the Diffusion Law of particle, metallic surface passivating film Regularity and corrosion process；
Step 4, according to above three step, it is uniform to same component under same environment using three-dimensional cellular automaton technology
Corrosion and spot corrosion evolutionary process are simulated；
Step 5, progress Laboratory-Accelerated Corrosion or natural air exposed experiment obtain uniform corrosion rate model, and should
Model is compared with homogeneous corrosion evolution rate obtained in the step 4, obtains real etching time and cellular automata
Corresponding relationship between middle etching time step-length；
Step 6, the etching time corresponding relationship according to obtained in the step 5, by the Cellular Automata Simulation result of spot corrosion into
Row processing, the i.e. evolution rule and fractions distribution of simulation spot corrosion into reality.
2. a kind of metal erosion morphological Simulation method based on three-dimensional cellular automaton technology according to claim 1,
It is characterized in that, three kinds of cellular types that the step 2 relates generally to are as follows:
A) metal cellular M: metal cellular being corroded property cellular erode, in entire simulation process, its position is kept
It is constant；
B) passivating film cellular F: when simulating spot corrosion evolutionary process, the passivating film cellular of original state can cover outermost metal member
Born of the same parents, position is substantially stationary, but in simulation process, and initial imperfection can occur at random in passivating film, at this time the passivation membrane element of the position
Born of the same parents can be transformed into metal cellular；
C) corrode cellular C: corrosion cellular random distribution in the solution, has corrosivity, can erode metal cellular, and can
It moves freely, in three-dimensional cellular space, every a time step, corroding cellular be can be randomly selected along some reference axis
Direction it is mobile.
3. a kind of metal erosion morphological Simulation method based on three-dimensional cellular automaton technology according to claim 1,
It is characterized in that, the specific steps of the step 3:
1) in a time step, the cellular C on case (i, j, k) randomly chooses neighbours' case in a direction, and prepares
It is mobile to neighbours' case:
If 2) the neighbours' case selected in step 1) is occupied by other cellulars C, cellular C be maintained at its initial case (i,
J, k) on；
3) if the neighbours' case selected in step 1) is sky, but has other cellulars C also to prepare to jump on neighbours' case, this yuan
Born of the same parents C is maintained on its initial case (i, j, k)；
4) if the neighbours' case selected in step 1) is sky, and jumps to this neighbours' case without the preparation of other cellulars, then should
Cellular C jumps to neighbours' case, and former case (i, j, k) becomes empty；
5) if the neighbours' case selected in step 1) is cellular M, but has other cellulars C preparation to jump to the case, cellular C is protected
It holds on its initial case (i, j, k)；
6) if the neighbours' case selected in step 1) is cellular M, and jumps to this case without other cellulars C preparation, then should
Cellular M disappears, and cellular C jumps to neighbours' case, and former case (i, j, k) is occupied by empty cellular；
7) if the neighbours' case selected in step 1) is cellular F, and cellular C is located at metal outer, then cellular C is maintained at it
On initial case (i, j, k)；
8) if the neighbours' case selected in step 1) is cellular F, and cellular C is in metal inside, but has other cellulars C also quasi-
Standby to jump to the case, then cellular C is maintained on its initial case (i, j, k)；
9) if the neighbours' case selected in step 1) is cellular F, and cellular C is in metal inside, prepares without other cellulars C
This case is jumped to, then cellular F disappears, and cellular C jumps to neighbours' case, and former case (i, j, k) is occupied by empty cellular；
If 10) certain cellular F at the time point when occur broken, the cellular F of the case becomes cellular M.
4. a kind of metal erosion morphological Simulation method based on three-dimensional cellular automaton technology according to claim 1,
It is characterized in that, the difference of homogeneous corrosion and spot corrosion is the presence of random damaged passivation in the cellular of spot corrosion model in the step 4
Membrane element born of the same parents F, and the cellular in homogeneous corrosion model same position is metal cellular M.
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