Method and device for establishing metal uranium material corrosion model in hydrogen environment based on finite element method and storage medium

Abstract

The invention discloses a method and device for establishing a metal uranium material corrosion model in a hydrogen environment based on a finite element method and a storage medium, and the method comprises the steps: establishing a two-dimensional symmetric uranium-hydrogen corrosion geometric model, and obtaining a two-dimensional symmetric uranium-hydrogen corrosion model according to the material attributes of metal uranium, hydrogen and uranium hydride; a plurality of physical fields are set for the two-dimensional symmetric uranium hydrogen corrosion geometric model, grid division is conducted on the two-dimensional symmetric uranium hydrogen corrosion geometric model, and coupling solution is conducted on numerical values of all the physical fields in all grids. According to the method, the corrosion process of the metal uranium material in the hydrogen environment can be obtained in real time under the condition that physical samples such as metal uranium and hydrogen do not need to be experimented, the experiment efficiency is improved, the experiment time is shortened, and an effective and reliable prediction result is obtained under the conditions of limited experiments, controllable risks and less time and investment. The method is widely applied to the technical field of computer simulation.

Description

Technical Field

[0001] The invention relates to the technical field of computer simulation, and in particular to a method, a device and a storage medium for establishing a corrosion model of a metal uranium material in a hydrogen environment based on a finite element method. Background Art

[0002] Uranium metal materials are important strategic nuclear materials and play an irreplaceable role in national security, advanced fission energy technology and other fields. However, uranium metal materials have high chemical activity and environmental sensitivity, and are very likely to undergo strong corrosion reactions with environmental gases such as oxygen, hydrogen and water vapor. Among them, the hydrogen corrosion hazard encountered by uranium metal materials in a hydrogen-containing atmosphere is the greatest, which will cause serious local damage and affect the function of components. However, the hydride of uranium metal materials is extremely active and reacts very quickly when encountering oxygen or water, and even burns. Therefore, it must be characterized in a high vacuum environment, and even so, it is difficult to eliminate the interference of oxygen. At the same time, the toxicity and radiation hazards of uranium metal materials are relatively large, the experimental conditions are harsh, the cycle is long, the consumables are many, the difficulty is high, and the risk is high. In summary, the current research on the material corrosion faced by uranium metal in a hydrogen environment is affected by the physical and chemical properties of the material itself, and it is difficult to obtain sufficient information, so it is difficult to have a deep understanding of the material corrosion process faced by uranium metal in a hydrogen environment. Summary of the invention

[0003] In view of the current technical problems such as limited information acquisition on the material corrosion process faced by metallic uranium in a hydrogen environment, the purpose of the present invention is to provide a method, device and storage medium for establishing a metallic uranium material corrosion model in a hydrogen environment based on the finite element method.

[0004] On the one hand, an embodiment of the present invention includes a method for establishing a corrosion model of a metal uranium material in a hydrogen environment based on a finite element method, and the method for establishing a corrosion model of a metal uranium material in a hydrogen environment based on a finite element method includes the following steps:

[0005] Establishing a two-dimensional symmetric uranium-hydrogen corrosion geometric model; the two-dimensional symmetric uranium-hydrogen corrosion geometric model includes a metal uranium model, a hydrogen model and a uranium hydride model, the hydrogen model surrounds the metal uranium model, the uranium hydride model is located inside the metal uranium model, and each part of the two-dimensional symmetric uranium-hydrogen corrosion geometric model is symmetrically distributed on a two-dimensional plane;

[0006] According to the material properties of metallic uranium, hydrogen and uranium hydride, multiple physical fields are set for the two-dimensional symmetric uranium-hydrogen corrosion geometric model;

[0007] Meshing the two-dimensional symmetric uranium-hydrogen corrosion geometric model;

[0008] The numerical values ​​of each physical field in each grid are coupled and solved.

[0009] Furthermore, the establishment of a two-dimensional symmetric uranium-hydrogen corrosion geometric model includes:

[0010] Obtain the actual sample size of metallic uranium samples and uranium hydride samples;

[0011] The two-dimensional symmetrical uranium-hydrogen corrosion geometric model is established in proportion according to the actual size of the sample.

[0012] Furthermore, according to the material properties of metallic uranium, hydrogen and uranium hydride, multiple physical fields are set for the two-dimensional symmetric uranium-hydrogen corrosion geometric model, including:

[0013] Setting a chemical reaction physical field; the chemical reaction physical field includes a chemical equation

[0014] 2U(s)+3H2(g)→2UH3(s)

[0015] The reaction type of the chemical equation is an irreversible reaction, and the rate constant of the chemical equation is

[0016] k=A(T / T ref ) n e -E / RT

[0017] Where A represents the reaction frequency factor, E represents the activation energy of the chemical reaction, R represents the universal gas constant, and T represents the ambient temperature.

[0018] Furthermore, according to the material properties of metallic uranium, hydrogen and uranium hydride, multiple physical fields are set for the two-dimensional symmetric uranium-hydrogen corrosion geometric model, including:

[0019] Setting a gas diffusion physics field; the gas diffusion physics field includes a gas diffusion equation

[0020]

[0021] Among them, c is the concentration of hydrogen in metallic uranium, S is the diffusion flux of hydrogen in metallic uranium, D is the diffusion coefficient of hydrogen in metallic uranium, and t is time.

[0022] Furthermore, according to the material properties of metallic uranium, hydrogen and uranium hydride, multiple physical fields are set for the two-dimensional symmetric uranium-hydrogen corrosion geometric model, including:

[0023] Setting a solid mechanics stress physical field; the solid mechanics stress physical field includes a strain equation

[0024]

[0025] And the constitutive equation

[0026]

[0027] Among them, c UH3 is the surface concentration of uranium hydride produced by metallic uranium, M UH3 is the molar mass of uranium hydride, ρ UH3 is the density of diffused UH3, r UH3 is the radius of the initial nucleation site of the uranium hydride model, ε represents the strain tensor of metallic uranium, σ represents the stress tensor, E represents the elastic modulus matrix of metallic uranium, and d represents the scalar damage degree of metallic uranium.

[0028] Furthermore, the meshing of the two-dimensional symmetric uranium-hydrogen corrosion geometric model includes:

[0029] Meshing the metal uranium model and the hydrogen model at a first mesh density;

[0030] The uranium hydride model is meshed with a second mesh density; the second mesh density is greater than the first mesh density.

[0031] Furthermore, the coupling solution of the values ​​of the physical fields in the grids includes:

[0032] Coupled solving is performed on the numerical values ​​of each non-solid mechanical stress physical field in each grid; the non-solid mechanical stress physical field is a physical field other than the solid mechanical stress physical field in all the set physical fields;

[0033] Based on the solution results of each of the non-solid mechanical stress physical fields, the numerical values ​​of the solid mechanical stress physical fields in each grid are coupled and solved.

[0034] Furthermore, the shape of the metal uranium model is a cylinder.

[0035] On the other hand, an embodiment of the present invention also includes a computer device, including a memory and a processor, the memory is used to store at least one program, and the processor is used to load at least one program to execute the method of establishing a metal uranium material corrosion model in a hydrogen environment based on the finite element method in the embodiment.

[0036] On the other hand, an embodiment of the present invention also includes a computer-readable storage medium, which stores a program executable by a processor. When the program executable by the processor is executed by the processor, it is used to execute the method of establishing a metal uranium material corrosion model in a hydrogen environment based on the finite element method in the embodiment.

[0037] The beneficial effects of the present invention are as follows: the method for establishing a corrosion model of metal uranium materials in a hydrogen environment based on the finite element method in the embodiment can obtain the corrosion process of metal uranium materials in a hydrogen environment in real time without conducting experiments on physical samples such as metal uranium and hydrogen, thereby improving experimental efficiency, shortening test time, and achieving effective and reliable prediction results under the conditions of limited experiments, controllable risks, less time and investment. BRIEF DESCRIPTION OF THE DRAWINGS

[0038] Figure 1 A schematic diagram of the steps of a method for establishing a corrosion model of a metal uranium material in a hydrogen environment based on the finite element method in an embodiment;

[0039] Figure 2 A schematic diagram of a two-dimensional symmetric uranium-hydrogen corrosion geometric model and its mesh division in an embodiment;

[0040] Figure 3 This is a schematic diagram of the change of the surface concentration of uranium hydride over time during the corrosion process in a hydrogen environment obtained by solving the two-dimensional symmetric uranium-hydrogen corrosion geometric model in the embodiment;

[0041] Figure 4 Schematic diagram of the distribution of hydrogen transfer into the metal uranium matrix at different times obtained to solve the two-dimensional symmetric uranium-hydrogen corrosion geometric model;

[0042] Figure 5 Schematic diagram of the three-dimensional stress distribution and numerical magnitude during the growth of hydride of metallic uranium material obtained to solve the two-dimensional symmetric uranium-hydrogen corrosion geometric model;

[0043] Figure 6 Schematic diagram of the damage distribution of the metallic uranium substrate during the growth of metallic uranium material hydride obtained to solve the two-dimensional symmetric uranium-hydrogen corrosion geometric model. DETAILED DESCRIPTION

[0044] The hydrogen corrosion of uranium metal materials is accompanied by the generation of corrosion products (hydrides), and the formation and growth of new phase nuclei. It is a complex process from microscopic quantitative accumulation to macroscopic qualitative change. Due to the particularity of uranium metal materials and the harsh experimental conditions, the basic data, corrosion mechanism, and influencing factors of hydrogen corrosion behavior are not comprehensive, and the development of new corrosion-resistant uranium alloys is inefficient. Studying the hydrogen corrosion behavior of uranium metal materials through computer simulation is a very efficient method, and it is possible to consider evaluating the hydrogen corrosion behavior and mechanism of uranium materials based on digital experiments.

[0045] Based on the above principles, in this embodiment, a method for establishing a corrosion model of metal uranium material in a hydrogen environment based on the finite element method is provided. Figure 1 The method for establishing a corrosion model of metal uranium material in a hydrogen environment based on the finite element method includes the following steps:

[0046] S1. Establish a two-dimensional symmetric uranium-hydrogen corrosion geometric model;

[0047] S2. According to the material properties of metallic uranium, hydrogen and uranium hydride, multiple physical fields are set for the two-dimensional symmetric uranium-hydrogen corrosion geometric model;

[0048] S3. Meshing the two-dimensional symmetric uranium-hydrogen corrosion geometry model;

[0049] S4. Couple and solve the values ​​of each physical field in each grid.

[0050] In step S1, the established two-dimensional symmetric uranium-hydrogen corrosion geometric model can be represented by arrays and the like, and its specific form can be the coordinates of multiple points in the representation space, and the material type (metal uranium, hydrogen or uranium hydride) corresponding to each coordinate, and parameters such as material density, molar mass, Poisson's ratio, Young's modulus, surface properties, surface reaction rate, diffusion coefficient, and diffusion molar flow rate. The two-dimensional symmetric uranium-hydrogen corrosion geometric model includes parts such as a metal uranium model, a hydrogen model, and a uranium hydride model, wherein the coordinate point in the metal uranium model represents that the substance at the corresponding coordinate in the space is metal uranium, the coordinate point in the hydrogen model represents that the substance at the corresponding coordinate in the space is hydrogen, and the coordinate point in the uranium hydride model represents that the substance at the corresponding coordinate in the space is uranium hydride. In the two-dimensional symmetric uranium-hydrogen corrosion geometric model, the hydrogen model surrounds the metal uranium model, and the uranium hydride model is located inside the metal uranium model.

[0051] The two-dimensional symmetrical uranium-hydrogen corrosion geometric model established in step S1 can be meshed in step S3, and the spaces within the same mesh have the same coordinates, material type and other parameters.

[0052] The various parts in the two-dimensional symmetric uranium-hydrogen corrosion geometric model established in step S1 are symmetrically distributed on the two-dimensional plane. For example, by obtaining any two-dimensional plane from the two-dimensional symmetric uranium-hydrogen corrosion geometric model along a direction parallel to a reference plane, a symmetric point can be found from the two-dimensional plane, and the density (the number of grids contained in a unit volume / area), material type and other parameters of the grids on the two-dimensional plane that are at the same distance from the symmetric point are respectively the same.

[0053] When executing step S1, that is, establishing a two-dimensional symmetrical uranium-hydrogen corrosion geometric model, the following steps may be specifically performed:

[0054] S101. Obtaining the actual sample size of the metallic uranium sample and the uranium hydride sample;

[0055] S102. Establish a two-dimensional symmetrical uranium-hydrogen corrosion geometric model in proportion to the actual size of the sample.

[0056] In step S101, the metal uranium sample and the uranium hydride sample are physical samples that need to be subjected to a simulated corrosion process, for example, the metal uranium sample is a cylinder with a diameter of 8 mm and a height of 4 mm, and the uranium hydride sample is a sphere with a diameter of 0.1 mm. In step S102, a two-dimensional symmetrical uranium-hydrogen corrosion geometric model can be established according to the actual size of the sample at a ratio of 1:1, that is, in the two-dimensional symmetrical uranium-hydrogen corrosion geometric model, the metal uranium model is a cylinder with a diameter of 8 mm and a height of 4 mm, the initial value of the uranium hydride model is a sphere with a diameter of 0.1 mm located at the center of the metal uranium model, and the hydrogen model is located at the periphery of the metal uranium model.

[0057] In this embodiment, the bottom surface of the cylindrical metal uranium model is used as the reference plane, and a part of the two-dimensional symmetrical uranium-hydrogen corrosion geometric model is obtained. Figure 2 As shown in part (a) of Figure 2 After meshing part (a) into multiple grids, Figure 2 As shown in part (b) of .

[0058] Figure 2 In parts (a) and (b), the horizontal axis represents the radius and the vertical axis represents the height. The vertical axis corresponds to the central axis of the cylindrical metal uranium model, and the horizontal axis corresponds to a radius of the cylindrical metal uranium model parallel to the bottom surface.

[0059] In this embodiment, when executing step S2, that is, setting multiple physical fields for the two-dimensional symmetrical uranium-hydrogen corrosion geometric model according to the material properties of metallic uranium, hydrogen and uranium hydride, the following steps can be performed using finite element calculation software:

[0060] (1) Define the material properties of metallic uranium, uranium hydride and hydrogen at each position (coordinate or grid) in the two-dimensional symmetric uranium-hydrogen corrosion geometric model, and input the basic parameters such as density, molar mass, Poisson's ratio, and Young's modulus of metallic uranium, uranium hydride and hydrogen at each position. The material properties of metallic uranium and uranium hydride are solid, and the material properties of hydrogen are gas.

[0061] (2) Set the chemical reaction physics field. The chemical reaction physics field can define the reaction equation, reaction object, reaction rate, substances involved in the reaction, etc. to describe the corrosion of metal uranium and hydrogen. Enter the reaction equation in the chemical reaction physics field.

[0062] 2U(s)+3H2(g)→2UH3(s)

[0063] The reaction type of the chemical equation is an irreversible reaction, and the reaction rate is determined based on the law of mass action. Specifically, the rate constant of the chemical equation is

[0064] k=A(T / T ref )n e -E / RT

[0065] Where k represents the rate constant, A represents the reaction frequency factor, E represents the activation energy of the chemical reaction, R represents the universal gas constant, and T represents the ambient temperature. For each position in the two-dimensional symmetric uranium-hydrogen corrosion geometric model, the basic physical properties such as the molar mass and density of the corresponding reactants and reaction products are input respectively, such as the molar mass of metallic uranium U is 238.02891 g / mol, the molar mass of hydrogen H2 is 2 g / mol, the molar mass of uranium hydride UH3 is 241.05285 g / mol, and the density is 10.92 g / cm 3 .

[0066] (3) Further define the surface properties, initial values, surface reaction rates and other parameters of each surface involved in corrosion in the two-dimensional symmetric uranium-hydrogen corrosion geometric model. For example, the boundary material transfer is selected as the streamline diffusion method, the number of surface materials in the dependent variable is 2, the surface material concentration includes the surface material concentration of metal uranium U and the surface material concentration of uranium hydride UH3, the number of bulk materials is 1, and the bulk concentration includes the bulk concentration of hydrogen H2. The initial values ​​are defined as: the diffusion coefficient of the surface material is 0, the surface concentration of the metal uranium U of the initial corrosion is set to 122.1 mol / m2, the surface concentration of uranium hydride UH3 is 0, and the bulk concentration of hydrogen H2 is 0.

[0067] (4) Set up the gas diffusion physics field. The gas diffusion physics field can define the diffusion surface, diffusion coefficient, and diffusion molar flow rate of hydrogen in the metal uranium. Based on Fick's law, the diffusion process of hydrogen in the metal uranium matrix is ​​described. The diffusion component diffuses from the high concentration area to the low concentration area, so the gas diffusion equation can be used to describe the diffusion process of hydrogen in the metal uranium matrix.

[0068]

[0069] To represent the gas diffusion physics field. Among them, c is the concentration of hydrogen in metallic uranium, S is the diffusion flux of hydrogen in metallic uranium, D is the diffusion coefficient of hydrogen in metallic uranium, and t is time. The diffusion coefficient of hydrogen H2 is set to 10 -9 m 2 / s, hydrogen H 2的 Normal inward flux is 10 -10 mol / (m 2 ·s), set the axisymmetric interface.

[0070] (5) Set the solid mechanical stress physical field, which can define the stress effect on the metal uranium matrix during the growth of uranium hydride. Define the Poisson's ratio, Young's modulus and density of the linear elastic materials of metal uranium U and uranium hydride UH3 respectively, and the strain is calculated by the strain equation

[0071]

[0072] To define, where c UH3 is the surface concentration of uranium hydride produced by metallic uranium, M UH3 is the molar mass of uranium hydride, ρ UH3 is the density of diffused UH3, r UH3 is the radius of the initial nucleation site of the uranium hydride model, ε represents the strain tensor of the metal uranium, and the initial strain is 0. Based on the classical damage theory, a scalar damage model is used to represent the damage of the metal uranium model. Specifically, due to the characteristic stress-strain behavior of ductile metal materials when they are damaged, the damage is manifested in the form of softening of yield stress and degradation of elasticity. Metal uranium is regarded as a ductile metal material. The elastic modulus of metal uranium can be represented by E(1-d), where E represents the elastic modulus matrix of metal uranium, and d represents the scalar damage degree of metal uranium. d is a scalar representing the isotropic damage degree. When d is 0, it means that the metal uranium is undamaged, d is 1, it means that the metal uranium is completely damaged, and d is between 0 and 1, it means that the metal uranium is partially damaged. Based on the smoothed Rankine stress equivalent strain, the constitutive equation can be established.

[0073]

[0074] Here, σ represents the stress tensor.

[0075] When performing meshing in step S3, since the reaction process simulated by the two-dimensional symmetric uranium hydrogen corrosion geometric model is the reaction between hydrogen H2 and metal uranium U, the generated uranium hydride UH3 will damage the metal uranium matrix, so the situation at the uranium hydride model can be focused on, and the metal uranium model and the hydrogen model can be meshed with a lower first mesh density, and the uranium hydride model can be meshed with a higher second mesh density, that is, in the two-dimensional symmetric uranium hydrogen corrosion geometric model, a denser mesh is used for the uranium hydride model. In this embodiment, the maximum mesh size (e.g., side length) for dividing the two-dimensional symmetric uranium hydrogen corrosion geometric model is 0.04 mm, and the minimum mesh size is 3×10 -4 mm, the maximum cell growth rate of the grid is 1.05, the curvature factor is 0.25, and the resolution in narrow areas is 1.

[0076] In step S4, the solver in the finite element calculation software is set to "transient", and the time unit, output time step, and research object are set to consider the above chemical reaction equation, surface reaction, solid mechanics, solid transfer, etc. The time unit of the solver is set to s, the output time step is output once every 2s, the termination is 200s, the absolute tolerance is 0.005, and the tolerance factor is 0.05. In this embodiment, an implicit solver is used through the backward difference formula

[0077]

[0078] The full coupling method is used for time stepping to solve the value of each physical field at each grid in each time step. is a differential operator, and f(k) is the numerical distribution (the value at each grid) of any parameter (such as material type, material density, molar mass, etc.) in any physical field in the kth time step.

[0079] In this embodiment, when executing step S4, that is, the step of coupling and solving the values ​​of each physical field in each grid, the following steps may be specifically performed:

[0080] S401. Couple and solve the numerical values ​​of each non-solid mechanical stress physical field in each grid;

[0081] S402. Based on the solution results of each non-solid mechanical stress physical field, the numerical values ​​of the solid mechanical stress physical field in each grid are coupled and solved.

[0082] The non-solid mechanics stress physical field in step S401 refers to the physical field other than the solid mechanics stress physical field in all the physical fields set in step S2. Therefore, steps S401-S402 first couple and solve all the physical fields other than the solid mechanics stress physical field, and then solve the solid mechanics stress physical field based on the results of the coupled solutions of these physical fields. The result of executing steps S401-S402 is the numerical distribution of parameters such as material type, material density, and molar mass (e.g., the numerical values ​​at each grid).

[0083] In this embodiment, the principle of executing steps S401-S402 is that: due to the large difference in density between uranium hydride UH3 and metal uranium U, during the reaction process simulated by the two-dimensional symmetric uranium hydrogen corrosion geometric model, the uranium hydride model will produce volume expansion, which will produce stress on the metal uranium model representing the metal uranium matrix, and the concentration of chemical substances transferred will affect solid mechanics in the form of external stress, while solid mechanics will not affect material diffusion and chemical reactions; therefore, when the two-dimensional symmetric uranium hydrogen corrosion geometric model is coupled and solved, the physical fields except the solid mechanics stress field can be solved uniformly first, and then the solid mechanics stress field can be solved separately. When solving the solid mechanics stress field, the concentration and probe results calculated previously are called to realize unidirectional multi-physical field coupling. Compared with the coupled solution of all physical fields including the solid mechanics stress field at the same time, the solution method of steps S401-S402 will be more stable in calculation, and the convergence and solution speed can be improved.

[0084] Steps S1-S4, establish a two-dimensional symmetrical uranium hydrogen corrosion geometric model as a metal uranium material corrosion model in a hydrogen environment, and solve the two-dimensional symmetrical uranium hydrogen corrosion geometric model based on the finite element method, so as to obtain parameters such as the surface concentration of the metal uranium material hydride and the distribution of the diffusion rate of hydrogen, thereby obtaining specific numerical information such as the real-time changes of physical quantities such as the nucleation and growth process of the uranium hydride, stress distribution, and damage. This method is simple and feasible, easy to apply, and has reliable results. The corrosion process of the metal uranium material in a hydrogen environment can be obtained in real time. Compared with high-cost, high-risk, long-cycle, and multi-result physical experiments, digital experiments will greatly improve experimental efficiency and shorten test time, and achieve effective and reliable prediction results under the conditions of limited experiments, controllable risks, less time and investment. It can also further reveal the influence of external factors ignored in macro experiments on corrosion behavior and corrosion mechanism, and provide reliable data and model support for monitoring and predicting the life of weapons and equipment.

[0085] In steps S1-S4, a two-dimensional symmetric uranium-hydrogen corrosion geometric model is established as a metal uranium material corrosion model in a hydrogen environment. Due to the two-dimensional symmetric characteristics of the two-dimensional symmetric uranium-hydrogen corrosion geometric model, when the grid of the uranium hydride model and its vicinity is very dense (this can accurately describe the process in which the continuous increase of uranium hydride produces cumulative stress on the metal uranium matrix, thereby causing damage and deformation of the metal uranium matrix), the amount of calculation during the coupled solution can be reduced, and the coupled solution can be more easily converged.

[0086] In this embodiment, the results of executing steps S1-S4 are visualized, and the effect is as follows: Figure 3-Figure 6 shown.

[0087] When the coupled solution of each physical field is performed on the two-dimensional symmetric uranium hydrogen corrosion geometric model, the numerical distribution of the surface concentration of uranium hydride UH3 in each time step is output, and the result is Figure 3 The surface concentration of uranium hydride UH3 changes with time. Figure 3 The growth rate of the surface concentration of uranium hydride UH3 is relatively slow in the initial stage, in the nucleation incubation period, and then grows rapidly. Figure 4 Part (a) shows the amount of hydrogen transferred from the hydrogen model representing hydrogen in the two-dimensional symmetric uranium-hydrogen corrosion geometry model to the metal uranium model representing the metal uranium matrix when the time step is 2s. Figure 4 Part (b) shows the amount of hydrogen transferred from the hydrogen model representing hydrogen in the two-dimensional symmetric uranium-hydrogen corrosion geometry model to the metal uranium model representing the metal uranium matrix when the time step is 200s. Figure 4 The color changes from blue to red, indicating that the value gradually increases. Hydrogen diffuses inward from all outer surfaces of the metallic uranium. Initially, the overall transmission amount is small, and at 200 seconds, a concentration gradient is formed that diffuses from the surroundings to the center.

[0088] Figure 5 The figure shows the three-dimensional stress distribution and numerical value of each position (each grid) of the two-dimensional symmetric uranium-hydrogen corrosion geometric model during the growth of hydride of metallic uranium material simulated by the coupled solution of the two-dimensional symmetric uranium-hydrogen corrosion geometric model. Figure 5 Part (a) is the stress distribution at the initial 0s, and the maximum stress is 3.5×10 -91 N / m2, tends to 0; Figure 5 Part (b) is the stress distribution at 200s, with a maximum stress of 7×10 7 N / m2. It can be seen that as the uranium hydride model representing uranium hydride UH3 is continuously generated, the stress on the metal uranium model representing the metal uranium matrix increases significantly. Figure 5 Part (c) shows that when the stress accumulates to a certain extent, the strong stress causes bulges on the surface of the metal uranium model, thereby simulating the formation of the "hydrogen bubbling" phenomenon, which is consistent with the experimental results of the actual sample.

[0089] Figure 6 The figure shows the damage distribution of the metal uranium model representing the metal uranium matrix during the growth of the metal uranium material hydride simulated by the coupled solution of the two-dimensional symmetric uranium-hydrogen corrosion geometric model. The damage to the metal uranium model is represented by the scalar damage degree d, which has a dimension of 1. Figure 6 Part (a) shows the damage distribution at the initial 0s. Figure 6 Part (b) shows the damage distribution at 120s. Figure 6 Part (c) shows the damage distribution at 200s. Figure 6 It can be seen that the coupled solution of the two-dimensional symmetric uranium-hydrogen corrosion geometric model successfully simulates the corrosion process of hydrogen on metallic uranium: initially, no uranium hydride UH3 is generated, that is, no stress is generated, and no damage is caused to the metallic uranium matrix. However, as the hydrogen H2 outside the metallic uranium matrix diffuses into the metallic uranium matrix, uranium hydride UH3 is continuously generated, the stress on the metallic uranium matrix gradually increases, and the damage of hydrogen H2 to the metallic uranium matrix becomes stronger and stronger, and even the surface of the metallic uranium matrix is ​​strongly damaged.

[0090] The above results indicate that the method, device and storage medium for establishing a corrosion model of metallic uranium materials in a hydrogen environment based on the finite element method of the present invention can realize digital experiments on the corrosion behavior of metallic uranium materials in a hydrogen-containing environment, and provide reliable data and model support for monitoring and predicting the degree of corrosion of weapons and equipment.

[0091] The finite element method used in steps S1-S4 to simulate the corrosion of metallic uranium materials in a hydrogen environment is a general method. In actual applications, if the material type (such as uranium-niobium alloy, uranium-titanium alloy, etc.), temperature, concentration and other initial conditions and boundary conditions change, the above steps can still be followed, and only the relevant parameters need to be replaced at the corresponding positions. The simulation conditions are controllable, the calculation efficiency is high, the results are intuitive and clear, and easy to analyze.

[0092] A computer program for executing the method for establishing a corrosion model of metal uranium materials in a hydrogen environment based on the finite element method in this embodiment can be written and written into a computer device or a storage medium. When the computer program is read out and executed, the method for establishing a corrosion model of metal uranium materials in a hydrogen environment based on the finite element method in this embodiment is executed, thereby achieving the same technical effect as the method for establishing a corrosion model of metal uranium materials in a hydrogen environment based on the finite element method in the embodiment.

[0093] It should be noted that, unless otherwise specified, when a feature is referred to as being "fixed" or "connected" to another feature, it may be directly fixed or connected to the other feature, or it may be indirectly fixed or connected to the other feature. In addition, the descriptions of up, down, left, right, etc. used in the present disclosure are only relative to the relative positional relationship of the components of the present disclosure in the accompanying drawings. The singular forms of "a", "" and "the" used in the present disclosure are also intended to include the plural forms, unless the context clearly indicates other meanings. In addition, unless otherwise defined, all technical and scientific terms used in this embodiment have the same meaning as those generally understood by those skilled in the art. The terms used in the specification of this embodiment are only for describing specific embodiments and are not intended to limit the present invention. The term "and / or" used in this embodiment includes any combination of one or more related listed items.

[0094] It should be understood that, although the term first, second, third etc. may be adopted to describe various elements in the present disclosure, these elements should not be limited to these terms. These terms are only used to distinguish the same type of elements from each other. For example, without departing from the scope of the present disclosure, the first element may also be referred to as the second element, and similarly, the second element may also be referred to as the first element. The use of any and all examples or exemplary language ("for example", "such as" etc.) provided by the present embodiment is only intended to better illustrate embodiments of the present invention, and unless otherwise required, the scope of the present invention will not be limited.

[0095] It should be appreciated that embodiments of the present invention may be implemented or enforced by computer hardware, a combination of hardware and software, or by computer instructions stored in a non-transitory computer-readable memory. The method may be implemented in a computer program using standard programming techniques - including a non-transitory computer-readable storage medium configured with a computer program, wherein the storage medium so configured causes the computer to operate in a specific and predefined manner - according to the methods and drawings described in the specific embodiments. Each program may be implemented in a high-level procedural or object-oriented programming language to communicate with a computer system. However, if desired, the program may be implemented in assembly or machine language. In any case, the language may be a compiled or interpreted language. In addition, the program may be run on a programmed dedicated integrated circuit for this purpose.

[0096] In addition, the operations of the process described in this embodiment may be performed in any suitable order, unless otherwise indicated in this embodiment or otherwise clearly contradicted by the context. The process described in this embodiment (or variations and / or combinations thereof) may be performed under the control of one or more computer systems configured with executable instructions, and may be implemented as a code (e.g., executable instructions, one or more computer programs, or one or more applications) executed on one or more processors in common, by hardware or a combination thereof. A computer program includes a plurality of instructions that may be executed by one or more processors.

[0097] Further, the method can be implemented in any type of computing platform that is operably connected to a suitable computer, including but not limited to a personal computer, a minicomputer, a mainframe, a workstation, a network or distributed computing environment, a separate or integrated computer platform, or in communication with a charged particle tool or other imaging device, etc. Various aspects of the present invention can be implemented in machine-readable code stored on a non-transitory storage medium or device, whether removable or integrated into a computing platform, such as a hard disk, an optical read and / or write storage medium, a RAM, a ROM, etc., so that it can be read by a programmable computer, and when the storage medium or device is read by the computer, it can be used to configure and operate the computer to perform the process described herein. In addition, the machine-readable code, or part thereof, can be transmitted via a wired or wireless network. When such media includes instructions or programs that implement the above steps in conjunction with a microprocessor or other data processor, the invention of this embodiment includes these and other different types of non-transitory computer-readable storage media. When programmed according to the methods and techniques of the present invention, the present invention also includes the computer itself.

[0098] The computer program can be applied to input data to perform the functions of the present embodiment, thereby converting the input data to generate output data stored in a non-volatile memory. The output information can also be applied to one or more output devices such as a display. In a preferred embodiment of the present invention, the converted data represents a physical and tangible object, including a specific visual depiction of the physical and tangible object produced on the display.

[0099] The above are only preferred embodiments of the present invention. The present invention is not limited to the above embodiments. As long as the technical effects of the present invention are achieved by the same means, any modifications, equivalent replacements, improvements, etc. made within the spirit and principles of the present invention shall be included in the scope of protection of the present invention. Within the scope of protection of the present invention, its technical solutions and / or implementation methods may have various modifications and changes.

Claims

1. A method for establishing a corrosion model of metal uranium material in a hydrogen environment based on the finite element method, characterized in that: The method for establishing a corrosion model of a metal uranium material in a hydrogen environment based on the finite element method comprises: Establishing a two-dimensional symmetric uranium-hydrogen corrosion geometric model; the two-dimensional symmetric uranium-hydrogen corrosion geometric model includes a metal uranium model, a hydrogen model and a uranium hydride model, the hydrogen model surrounds the metal uranium model, the uranium hydride model is located inside the metal uranium model, and each part of the two-dimensional symmetric uranium-hydrogen corrosion geometric model is symmetrically distributed on a two-dimensional plane; According to the material properties of metallic uranium, hydrogen and uranium hydride, multiple physical fields are set for the two-dimensional symmetric uranium-hydrogen corrosion geometric model; Meshing the two-dimensional symmetric uranium-hydrogen corrosion geometric model; The numerical values ​​of each physical field in each grid are coupled and solved.

2. The method for establishing a corrosion model of metal uranium material in a hydrogen environment based on the finite element method according to claim 1, characterized in that: The two-dimensional symmetric uranium-hydrogen corrosion geometric model is established, including: Obtain the actual sample size of metallic uranium samples and uranium hydride samples; The two-dimensional symmetrical uranium-hydrogen corrosion geometric model is established in proportion according to the actual size of the sample.

3. The method for establishing a corrosion model of metal uranium material in a hydrogen environment based on the finite element method according to claim 1, characterized in that: According to the material properties of metallic uranium, hydrogen and uranium hydride, multiple physical fields are set for the two-dimensional symmetric uranium-hydrogen corrosion geometric model, including: Setting a chemical reaction physical field; the chemical reaction physical field includes a chemical equation 2U(s)+3H2(g)→2UH3(s) The reaction type of the chemical equation is an irreversible reaction, and the rate constant of the chemical equation is k=A(T / T ref ) n e -E / RT Where A represents the reaction frequency factor, E represents the activation energy of the chemical reaction, R represents the universal gas constant, and T represents the ambient temperature.

4. The method for establishing a corrosion model of metal uranium material in a hydrogen environment based on the finite element method according to claim 3 is characterized in that: According to the material properties of metallic uranium, hydrogen and uranium hydride, multiple physical fields are set for the two-dimensional symmetric uranium-hydrogen corrosion geometric model, including: Setting a gas diffusion physics field; the gas diffusion physics field includes a gas diffusion equation Among them, c is the concentration of hydrogen in metallic uranium, S is the diffusion flux of hydrogen in metallic uranium, D is the diffusion coefficient of hydrogen in metallic uranium, and t is time.

5. The method for establishing a corrosion model of metal uranium material in a hydrogen environment based on the finite element method according to claim 4, characterized in that: According to the material properties of metallic uranium, hydrogen and uranium hydride, multiple physical fields are set for the two-dimensional symmetric uranium-hydrogen corrosion geometric model, including: Setting a solid mechanics stress physical field; the solid mechanics stress physical field includes a strain equation And the constitutive equation Among them, c UH3 is the surface concentration of uranium hydride produced by metallic uranium, M UH3 is the molar mass of uranium hydride, ρ UH3 is the density of diffused UH3, r UH3 is the radius of the initial nucleation site of the uranium hydride model, ε represents the strain tensor of metallic uranium, σ represents the stress tensor, E represents the elastic modulus matrix of metallic uranium, and d represents the scalar damage degree of metallic uranium.

6. The method for establishing a corrosion model of metal uranium material in a hydrogen environment based on the finite element method according to claim 1, characterized in that: The meshing of the two-dimensional symmetric uranium-hydrogen corrosion geometric model comprises: Meshing the metal uranium model and the hydrogen model at a first mesh density; The uranium hydride model is meshed with a second mesh density; the second mesh density is greater than the first mesh density.

7. The method for establishing a corrosion model of metal uranium material in a hydrogen environment based on the finite element method according to claim 5, characterized in that: The coupling solution of the numerical values ​​of each physical field in each grid includes: Coupled solving is performed on the numerical values ​​of each non-solid mechanical stress physical field in each grid; the non-solid mechanical stress physical field is a physical field other than the solid mechanical stress physical field in all the set physical fields; Based on the solution results of each of the non-solid mechanical stress physical fields, the numerical values ​​of the solid mechanical stress physical fields in each grid are coupled and solved.

8. The method for establishing a corrosion model of a metal uranium material in a hydrogen environment based on the finite element method according to any one of claims 1 to 7, characterized in that: The shape of the metal uranium model is a cylinder.

9. A computer device, characterized in that: It includes a memory and a processor, the memory is used to store at least one program, and the processor is used to load at least one program to execute the method for establishing a metal uranium material corrosion model in a hydrogen environment based on the finite element method as described in any one of claims 1-8.

10. A computer-readable storage medium storing a program executable by a processor, characterized in that: The program executable by the processor is used to execute the method for establishing a metal uranium material corrosion model in a hydrogen environment based on the finite element method as described in any one of claims 1 to 8 when executed by the processor.

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