Material irradiation defect storage method suitable for multi-element SRSCD simulation
By adopting a Defect-Reaction List data structure based on linked lists in multivariate SRSCD simulation, the problem of inability to efficiently store and manage defects and reactions in the existing technology is solved, and rapid search, update, insert and delete operations are realized, and simulation efficiency is improved.
Patent Information
- Application Number
- CN202411899798.8
- Authority / Receiving Office
- CN · China
- Patent Type
- Applications(China)
- Current Assignee / Owner
- Filing Date
- 2024-12-23
- Publication Date
- 2025-03-21
AI Technical Summary
The prior art cannot efficiently store and manage defects and their reactions in multivariate SRSCD simulation, resulting in the inability to achieve rapid search, update, insert and delete operations.
Using the Defect-Reaction List data structure based on linked lists, we can realize efficient storage and management of defects and reactions by creating defects and reactions. The method includes pre-processing steps such as hierarchical sorting and generating a sub-link list of movable defects, randomly selecting reactions and updating related defects and reactions.
It realizes efficient storage and management of defects and reactions in the case of diverse defect types and reaction types in multi-segment SRSCD simulation, and improves simulation efficiency.
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Figure CN119670446A_ABST
Abstract
Description
Technical Field
[0001] The present invention relates to the field of nuclear material radiation damage simulation and high performance computing, and in particular to a material radiation defect storage method suitable for multi-element SRSCD simulation. Background Art
[0002] The service performance of structural materials in nuclear reactors mainly depends on the microstructural evolution under irradiation, which is driven by phenomena on different time and space scales. For example, cascade collisions usually occur within a few picoseconds and span tens of nanometers, while the subsequent defect diffusion and the resulting other defect evolution behaviors take several seconds or even longer, and the spatial span reaches micrometers to meters or even longer.
[0003] Cluster dynamics (CD), developed from the mean field rate theory, has become an effective means to deal with such long-time and space scale problems. The "mean field" feature enables CD to be free from the limitations of time and space scales, and can simulate the defect evolution under very high irradiation doses (100dpa (displacements per atom)) and time scales (seconds to several years). Under the mean field assumption, the evolution of irradiated defects over time is described as a series of ordinary differential equations (ODEs) of defect concentration versus time, as follows:
[0004]
[0005] Among them, the first term on the right is the rate at which defect i is generated (0th order reaction); the second and third terms are the rates at which defect i is transformed into other defects and other defects are transformed into defect i (1st order reaction); the fourth and fifth terms represent the rates at which the reaction between two defects leads to the disappearance and generation of defect i (2nd order reaction). It can be seen that the above evolution equation is a set of coupled differential equations, and the number of equations generally increases exponentially with the increase of defect types, reaching 10 6 ~10 12 , or even more, at this time, an approximate method is needed to solve. The grouping method and the Fokker-Planck method are two commonly used methods. However, their solving ability is limited by the dimension of the ODE system (i.e., the defect type), and it is usually difficult to deal with the evolution of complex defect clusters.
[0006] Another method to solve CD is Stochastic Cluster Dynamics (SCD), which is a stochastic variant of CD. By limiting the mean field CD to a finite volume V, the above defect concentration evolution equation is transformed into the number of defects evolving an integer value in the finite volume V:
[0007]
[0008] in, Ω is the atomic volume. is the reaction rate of the 0th, 1st, and 2nd order reactions occurring in volume V. SCD simulates the defect evolution process in a finite volume by random sampling, thus avoiding the combinatorial expansion of a large number of ODEs, and is very suitable for dealing with the evolution of complex defect clusters. Precisely because it considers the defect evolution in a finite volume, if multiple such volume elements are considered, plus the defect concentration differences and diffusion between different volume elements, the stochastic cluster dynamics can have spatial resolution, namely, spatially resolved stochastic cluster dynamics (Spatially Resolved Stochastic Cluster Dynamics, SRSCD).
[0009] In SRSCD, it is assumed that the defects in each volume element are uniformly distributed, and the defects can be aggregated and decomposed. There are concentration differences between volume elements and the resulting diffusion. The reaction rates of various reactions between defects are derived from the classical CD method, and the selection of reactions and time increments are determined by the classical kinetic Monte Carlo (KMC) algorithm. During the simulation process, after each reaction occurs, it is necessary to update the defects involved in the reaction and the corresponding reactions, which may involve the deletion of old defects / reactions, the addition of new defects / reactions, and the update of reaction rates. In addition, the number of reactions will also grow rapidly to thousands or even millions as the simulation proceeds, and the types and sizes of defects are also growing dynamically as the reactions proceed. In order to achieve the correct update of defects and their reactions, it is necessary to effectively locate the defects involved in the reactions and the reactions associated with the changed defects during the simulation process. This requires the establishment of a suitable data structure to achieve efficient storage of defects and reactions, as well as fast search, update, insertion and deletion operations. However, due to the characteristics of diverse and dynamically growing defect types and reaction types in multivariate SRSCD simulations, and the close correlation between reaction types and defect types involved in the reactions, the data structure used in the prior art cannot achieve efficient storage of defects and reactions, as well as fast search, update, insertion and deletion operations. Summary of the invention
[0010] The technical problem to be solved by the present invention is to provide a material irradiation defect storage method suitable for multi-element SRSCD simulation to solve the problem that the prior art cannot realize efficient storage of defects and reactions, as well as fast search, update, insert and delete operations.
[0011] In order to solve the above technical problems, an embodiment of the present invention provides a material irradiation defect storage method suitable for multivariate SRSCD simulation, comprising:
[0012] A material irradiation defect storage method suitable for multivariate SRSCD simulation, comprising:
[0013] According to the defects in the initial state of the SRSCD simulation system and the reactions that the defects can participate in, a Defect-Reaction List based on a linked list is created, where SRSCD represents spatially resolved random cluster dynamics and Defect-ReactionList represents the defect-reaction list;
[0014] Adding preprocessing steps to the defect list within each volume element, including hierarchical sorting of defects according to defect type and mobility, prioritizing movable defects, and generating a movable defect sublist based on mobility;
[0015] Create a mobile defect list mobileDefectList for the mobile defect to store the mobile defects and randomly select a reaction from the Defect-Reaction List;
[0016] For the selected reaction, traverse each reactant, search for defects of the same type in Defect-ReactionList according to the type of reactant, and determine whether the number of defects found is greater than 1; if it is greater than 1, the number of defects is reduced by 1, and the reaction and reaction rate related to the defect are updated; otherwise, delete the defect and related reactions from Defect-Reaction List;
[0017] For the selected reaction, traverse each product and check whether there is a defect of the same type as the product in the Defect-Reaction List; if so, add 1 to the number of defects and update the reaction and reaction rate related to the defect; otherwise, insert the defect and related reactions into the Defect-Reaction List.
[0018] Furthermore, the pre-processing step comprises:
[0019] According to the mobility of defects in the SRSCD simulation system, the defects are divided into movable defects and immovable defects;
[0020] Dynamically determine the priority of defects based on defect type, and allocate a higher storage position in the linked list for high-priority defects;
[0021] A separate movable defect sub-link list is generated for movable defects for quick access and operation of reactions related to movable defects.
[0022] Furthermore, the creation of a linked list-based Defect-Reaction List according to the defects in the initial state of the SRSCD simulation system and the reactions that the defects can participate in includes:
[0023] Construct the structure defectHead for storing the head node of the defect list, the structure defect for storing defects, and the structure reaction for storing reactions;
[0024] According to the constructed structures defectHead, defect, reaction and the defects in the initial state of the SRSCD simulation system and the reactions in which the defects can participate, a Defect-Reaction List based on a linked list is created.
[0025] Furthermore, the members of the structure defectHead include: cell and *defectList, where cell represents the volume element number and *defectList represents a pointer to the defect;
[0026] The members of the structure defect include: defectType, num, isMobile, *down and *right; among them, defectType indicates the defect type, num indicates the number of defects of type defectType, isMobile is used to identify whether the defect is a movable defect, *down indicates the pointer to the next defect, and *right indicates the pointer to the reaction;
[0027] The members of the structure reaction include: type, numReactions, numProducts, reactions, products, cell, taskid, reactionRate and *right; among them, type is used to identify the type of reaction, numReactions is the number of reactions, numProducts is the number of reactants, reactions is the type of reaction, products is the type of product, cell is the volume element number where the product is located, taskid is the process number where the product is located, reactionRate is the reaction rate of the reaction, and *right is a pointer to the next reaction.
[0028] Furthermore, the created Defect-Reaction List has three dimensions in total, where the first dimension is a two-dimensional array of type defectHead, which is the head node of the defect list, and the number of behavioral volume elements in the two-dimensional array and the number of columns as “layers”;
[0029] The second dimension is a linked list of type defect, which is used to store all defects in the corresponding volume element. Defects are stored in "layers" according to their types.
[0030] The third dimension is a linked list of type reaction, which is used to store the reaction associated with each defect in the volume element.
[0031] Furthermore, for the selected reaction, each reactant is traversed to search for defects in the Defect-Reaction List that have the same type as the reactant, and corresponding operations are performed according to the number of defects found.
[0032] Compared with the prior art, the present invention has the following advantages:
[0033] In the above scheme, according to the defects in the initial state of the SRSCD simulation system and the reactions in which the defects can participate, a Defect-Reaction List based on a linked list is created, where SRSCD represents spatially resolved random cluster dynamics; a reaction is randomly selected from the Defect-Reaction List; for the selected reaction, each reactant is traversed to find defects of the same type as the reactant in the Defect-Reaction List, and corresponding operations are performed according to the number of defects found; for the selected reaction, each product is traversed to find whether there are defects of the same type as the product in the Defect-Reaction List, and corresponding operations are performed according to the search results; in this way, in view of the characteristics that the types of defects and reactions in multivariate SRSCD simulation are diverse and dynamically growing, and the reaction type is closely related to the defect type participating in the reaction, based on the idea of linked lists, an efficient storage structure suitable for defects and their reactions in multivariate SRSCD simulation, namely Defect-ReactionList, is adopted to achieve efficient storage of defects and reactions, as well as fast search, update, insert, and delete operations on the basis of saving memory, thereby improving the simulation efficiency of SRSCD. BRIEF DESCRIPTION OF THE DRAWINGS
[0034] The accompanying drawings generally illustrate various embodiments by way of example and not limitation, and together with the description and claims, serve to illustrate the embodiments of the invention. Where appropriate, the same reference numerals are used throughout the drawings to refer to the same or similar parts. Such embodiments are illustrative and are not intended to be exhaustive or exclusive embodiments of the present apparatus or method.
[0035] Figure 1 A schematic diagram of the structure of the structure used in the Defect-Reaction List provided in an embodiment of the present invention;
[0036] Figure 2A schematic diagram of six diffusion directions provided by an embodiment of the present invention; DETAILED DESCRIPTION
[0037] It should be noted that, in the absence of conflict, the embodiments and features in the embodiments of the present application can be combined with each other. The present application will be described in detail below with reference to the accompanying drawings and in combination with the embodiments.
[0038] In order to make the technical problems, technical solutions and advantages to be solved by the present invention more clear, a detailed description will be given below with reference to the accompanying drawings and specific embodiments.
[0039] The present invention aims at the problem that the existing methods cannot realize efficient storage of defects and reactions, as well as fast search, update, insert and delete operations, and provides a material irradiation defect storage method suitable for multivariate SRSCD simulation.
[0040] In this embodiment, in order to better understand the present invention, the related terms of defects and reactions are briefly described as follows:
[0041] (1) Defects
[0042] Defects include movable defects and immovable movable defects; among them,
[0043] Movable defects are those that can undergo diffusion reactions;
[0044] Immobile defects are defects that cannot spread.
[0045] (2) Reaction
[0046] For each reaction, the defects involved in the reaction are called reactants, and the defects produced by the reaction are called products. The reactions between defects mainly include the following five categories:
[0047] 0-order reaction: refers to the generation of initial defects, with 0 reactants; if it is electron irradiation, the product is 2 point defects (vacancies and self-interstitial atoms); if it is neutron irradiation, the product is multiple defects, and the number of products in this embodiment can be represented by -1;
[0048] First-order reaction: including dissociation reaction and sink removal reaction. In dissociation, there is one reactant and two products. In sink removal, there is one reactant and two products. Point defects cannot undergo dissociation reaction, and only movable defects can undergo sink removal reaction.
[0049] Diffusion reaction: The defect diffuses from one volume element to another. There is 1 reactant and 1 product.
[0050] Second-order reaction: It is a clustering reaction, involving at least one mobile defect, two reactants, and zero, one, or more products. The specific number of products depends on the type of reactants.
[0051] The material irradiation defect storage method suitable for multivariate SRSCD simulation provided by the embodiment of the present invention includes:
[0052] S101, creating a Defect-Reaction List based on a linked list according to the defects in the initial state of the SRSCD simulation system and the reactions in which the defects can participate, wherein SRSCD represents spatially resolved random cluster dynamics, and Defect-Reaction List represents a defect-reaction list;
[0053] S102, randomly select a reaction from the Defect-Reaction List;
[0054] S103, for the selected reaction, traverse each reactant, search for defects in the Defect-Reaction List that are the same type as the reactant, and perform corresponding operations according to the number of defects found; wherein the operations include: update, insert, and delete;
[0055] S104, for the selected reaction, traverse each product, search whether there is a defect of the same type as the product in the Defect-Reaction List, and perform corresponding operations according to the search result.
[0056] The material irradiation defect storage method suitable for multivariate SRSCD simulation described in an embodiment of the present invention creates a linked list-based Defect-ReactionList according to the defects in the initial state of the SRSCD simulation system and the reactions in which the defects can participate, wherein SRSCD represents spatially resolved random cluster dynamics; randomly selects a reaction from the Defect-Reaction List; for the selected reaction, traverses each reactant, searches for defects of the same type as the reactant in the Defect-Reaction List, and performs corresponding operations according to the number of defects found; for the selected reaction, traverses each product, searches for defects of the same type as the product in the Defect-Reaction List, and performs corresponding operations according to the search results; in this way, in view of the characteristics that the types of defects and reaction types in the multivariate SRSCD simulation are diverse and dynamically growing, and the reaction type is closely related to the defect type participating in the reaction, based on the idea of linked lists, an efficient storage structure suitable for defects and their reactions in the multivariate SRSCD simulation, namely, Defect-Reaction List, is adopted, and efficient storage of defects and reactions, as well as fast search, update, insert, and delete operations are achieved on the basis of saving memory, thereby improving the simulation efficiency of SRSCD.
[0057] In the above-mentioned specific implementation of the material irradiation defect storage method applicable to multivariate SRSCD simulation, further, the creation of a linked list-based Defect-Reaction List according to the defects in the initial state of the SRSCD simulation system and the reactions in which the defects can participate includes:
[0058] Construct the structure defectHead for storing the head node of the defect list, the structure defect for storing defects, and the structure reaction for storing reactions;
[0059] According to the constructed structures defectHead, defect, reaction and the defects in the initial state of the SRSCD simulation system and the reactions in which the defects can participate, a Defect-Reaction List based on a linked list is created.
[0060] In the above-mentioned specific implementation of the material irradiation defect storage method suitable for multivariate SRSCD simulation, further, as Figure 1 As shown, the members of the structure defectHead include: cell and *defectList, where cell represents the volume element number and *defectList represents a pointer to the defect;
[0061] The members of the structure defect include: defectType, num, isMobile, *down and *right; where defectType represents the defect type, numSpecies is equal to the maximum element species considered by the SRSCD simulation system (e.g., numSpecies of the Fe-Cu system is 2, and numSpecies of the Fe-Cu-He system is 3); num represents the number of defects of type defectType; isMobile is used to identify whether the defect is a movable defect (e.g., movable defect, isMobile=1; immovable defect, isMobile=0); *down represents a pointer to the next defect; *right represents a pointer to the reaction;
[0062] The members of the structure reaction include: type, numReactions, numProducts, reactions, products, cell, taskid, reactionRate and *right; among them, type is used to identify the type of reaction, numReactions is the number of reactions, components is the number of element species contained in the current defect, that is, numSpecies≥components. If this type of reaction is a dissociation reaction, the value of numReactions depends on the number of element species components contained in the defects related to the dissociation reaction; numProducts is the number of reactants; reactions is the type of reaction; products is the type of product; cell is the volume element number where the product is located; taskid is the process number where the product is located (for parallel simulation); reactionRate is the reaction rate of the reaction; *right represents a pointer to the next reaction.
[0063] In this embodiment, Figure 1 It is a structure used in Defect-Reaction List, where the dotted arrows indicate the structure type pointed to by the pointer member in the structure, and the solid arrows indicate the order in which the four types of reactions (dissociation, sinkRemovel, diffusion, and clustering) are stored in the Defect-Reaction List. It should be noted that the 0th order reaction is not stored in the Defect-Reaction List, but is stored separately.
[0064] In this embodiment, for the diffusion reaction, there are six diffusion directions: right, left, front, back, up, and down. Figure 2 shown.
[0065] In the above-mentioned specific implementation of the material irradiation defect storage method suitable for multivariate SRSCD simulation, further, the created Defect-Reaction List has three dimensions in total, wherein the first dimension is a two-dimensional array of type defectHead, which is the head node of the defect list, and the rows in the two-dimensional array are the number of volume elements, and the columns are the number of "layers" (level), wherein the number of levels is related to numSpecies;
[0066] The second dimension is a linked list of type defect, which is used to store all defects in the corresponding volume element. Defects are stored by layer according to the defect type.
[0067] The third dimension is a linked list of type reaction, which is used to store the reactions related to each defect in the volume element. The defect is the head node of the reaction linked list. For each defect, the reactions related to it are stored in sequence. For Clustering reactions, the Clustering reactions between the defect and each movable defect in the volume element are stored in sequence.
[0068] In the above-mentioned specific implementation of the material irradiation defect storage method applicable to multivariate SRSCD simulation, further, before randomly selecting a reaction from the Defect-Reaction List, the method further includes:
[0069] Create a mobile defect list mobileDefectList for the mobile defects to store the mobile defects;
[0070] Among them, the mobile defect list mobileDefectList has two dimensions. The first dimension is a two-dimensional array of type defectHead, which is the head node of the defect list. The number of behavioral volume elements in the two-dimensional array is listed as the number of "levels";
[0071] The second dimension is a linked list of type defect, which is used to store all defects in the corresponding volume element. Defects are stored in "layers" according to their types.
[0072] And set the *right pointer of each defect to null to update the Clustering response.
[0073] In this embodiment, the created list mobileDefectList uses only the first dimension and the second dimension.
[0074] In this embodiment, randomly selecting a reaction from the Defect-Reaction List includes:
[0075] First check whether the 0th order reaction satisfies If it is satisfied, then no longer select a reaction in the Defect-Reaction List. If it is not satisfied, then check each reaction corresponding to each defect in each "layer" in the Defect-Reaction List in turn, and use a random number to select a reaction μ, where the reaction μ satisfies Among them, R v is the reaction rate of the vth reaction; R tot is the total reaction rate; r 1 is a random number, r 1 ∈(0,1].
[0076] In the above-mentioned specific implementation of the material irradiation defect storage method applicable to multivariate SRSCD simulation, further, for the selected reaction, traversing each reactant, searching for defects in Defect-ReactionList of the same type as the reactant type, and performing corresponding operations according to the number of defects found include:
[0077] For the selected reaction, traverse each reactant, search for defects of the same type in Defect-ReactionList according to the type of reactant, and determine whether the number of defects found is greater than 1;
[0078] If it is greater than 1, the defect number is reduced by 1, and the reaction and reaction rate related to the defect are updated;
[0079] Otherwise, the defect and the related reaction are deleted from Defect-ReactionList.
[0080] In this embodiment, for the selected reaction, each reaction is traversed, and defects of the same type are searched in Defect-ReactionList according to the type of reactant. If the number of defects found is greater than 1, the defects and related reactions are updated. The specific steps are as follows:
[0081] A1. The number of defects is reduced by 1. If the defect is a movable defect, the number of corresponding defects in mobileDefectList is reduced by 1 at the same time;
[0082] A2. Update the reaction rates of the related Dissociation, sinkRemovel, Diffusion, and Clustering reactions in sequence, and determine whether the reaction rate is equal to 0, and Figure 1 The reaction in the reaction list pointed to by the *right pointer of the defect is updated, including the following possible operations:
[0083] Update reaction rate: find the corresponding reaction and update its reaction rate;
[0084] Delete reaction: the operation of deleting a reaction;
[0085] If the number of defects found is less than or equal to 1, the defect and the related reaction are deleted from Defect-ReactionList. If the defect is a mobile defect, the corresponding defect is also deleted from mobileDefectList.
[0086] In the above-mentioned specific implementation of the material irradiation defect storage method applicable to multivariate SRSCD simulation, further, deleting the defect and the related reaction from the Defect-Reaction List includes:
[0087] If the defect to be deleted is an immovable defect, delete the related reactions in turn, and then delete the defect;
[0088] If the defect to be deleted is a movable defect, after deleting the defect and its related reactions, traverse other defects and delete the Clustering reactions related to the movable defect in the reaction list of each defect.
[0089] In the above-mentioned specific implementation of the material irradiation defect storage method applicable to multivariate SRSCD simulation, further, for the selected reaction, traversing each product, searching whether there is a defect of the same type as the product type in the Defect-Reaction List, and performing corresponding operations according to the search result include:
[0090] For the selected reaction, traverse each product and check whether there is a defect in the Defect-Reaction List that has the same type as the product;
[0091] If it exists, the defect quantity is increased by 1, and the reaction and reaction rate related to the defect are updated;
[0092] Otherwise, insert the defect and related reactions into the Defect-Reaction List.
[0093] In this embodiment, for the selected reaction, each product is traversed to find out whether there is a defect of the same type as the product in the Defect-Reaction List. If so, the defect and related reactions are updated. The specific steps are as follows:
[0094] B1. The defect quantity is increased by 1. If the defect is a movable defect, the corresponding defect quantity in mobileDefectList is increased by 1 at the same time;
[0095] B2. Update the reaction rates of the related Dissociation, sinkRemovel, Diffusion, and Clustering reactions in turn, depending on whether the reaction rate is equal to 0, and Figure 1 The reaction in the reaction list pointed to by the *right pointer of the defect is updated, including the following possible operations:
[0096] Update reaction rate: find the corresponding reaction and update its reaction rate;
[0097] Insertion reaction: The operation of inserting reaction;
[0098] Otherwise, insert the defect and related reactions into the Defect-Reaction List.
[0099] In the above-mentioned specific implementation of the material irradiation defect storage method applicable to multivariate SRSCD simulation, further, inserting the defect and the related reaction into the Defect-Reaction List includes:
[0100] If the defect to be inserted is an immovable defect, then after the defect is inserted, the reactions related to it are inserted in sequence;
[0101] If the inserted defect is a movable defect, after inserting the defect and its related reactions, traverse other defects and add the Clustering reaction related to the movable defect after the reaction list of each defect.
[0102] Compared with the prior art, the present invention has the following beneficial effects:
[0103] 1) In SRSCD, as the simulation proceeds, the defect types and reaction types in the system are constantly and dynamically growing, and the number will quickly grow to millions or even more. The Defect-Reaction List of the present invention allocates discontinuous space in the computer to store defects and reactions based on the idea of linked lists, thereby achieving effective storage of defects and reactions, rapid addition of new defects and reactions, and rapid deletion of old defects and reactions;
[0104] 2) In the SRSCD simulation, five types of reactions are mainly involved. Except for the 0th order reaction, the other four types of reactions are closely related to the types of their reactants. Whenever a new defect type is added, it is necessary to add four types of reactions related to it; and whenever an old defect type is deleted, it is necessary to delete all four types of reactions involved in it. The Defect-Reaction List of the present invention stores defects and reactions in association by setting a pointer to its reaction in the defect structure, thereby enabling fast and accurate operation of the above operations.
[0105] The above is a preferred embodiment of the present invention. It should be pointed out that for ordinary technicians in this technical field, several improvements and modifications can be made without departing from the principles of the present invention. These improvements and modifications should also be regarded as the scope of protection of the present invention.
[0106] The above description is only a preferred specific implementation manner of the present invention, but the protection scope of the present invention is not limited thereto. Any technician familiar with the technical field can make equivalent replacements or changes according to the technical scheme and inventive concept of the present invention within the technical scope disclosed by the present invention, which should be covered by the protection scope of the present invention.
Claims
1. A material irradiation defect storage method suitable for multivariate SRSCD simulation, characterized in that: include: According to the defects in the initial state of the SRSCD simulation system and the reactions that the defects can participate in, a Defect-Reaction List based on a linked list is created, where SRSCD represents spatially resolved random cluster dynamics and Defect-Reaction List represents a defect-reaction list; Adding preprocessing steps to the defect list within each volume element, including hierarchical sorting of defects according to defect type and mobility, prioritizing movable defects, and generating a movable defect sublist based on mobility; Create a mobile defect list mobileDefectList for the mobile defect to store the mobile defects and randomly select a reaction from the Defect-Reaction List; For the selected reaction, traverse each reactant, search for defects of the same type in the Defect-Reaction List according to the type of the reactant, and determine whether the number of defects found is greater than 1; if it is greater than 1, the number of defects is reduced by 1, and the reaction and reaction rate related to the defect are updated; otherwise, the defect and related reactions are deleted from the Defect-Reaction List; For the selected reaction, traverse each product and check whether there is a defect of the same type as the product in the Defect-Reaction List; if so, add 1 to the number of defects and update the reaction and reaction rate related to the defect; otherwise, insert the defect and related reactions into the Defect-Reaction List.
2. The material irradiation defect storage method suitable for multivariate SRSCD simulation according to claim 1, characterized in that: The pre-processing step comprises: According to the mobility of defects in the SRSCD simulation system, the defects are divided into movable defects and immovable defects; Dynamically determine the priority of defects based on defect type, and allocate a higher storage position in the linked list for high-priority defects; A separate movable defect sub-link list is generated for movable defects for quick access and operation of reactions related to movable defects.
3. The material irradiation defect storage method suitable for multivariate SRSCD simulation according to claim 1, characterized in that: The creation of a linked list-based Defect-Reaction List according to the defects in the initial state of the SRSCD simulation system and the reactions that the defects can participate in includes: Construct the structure defectHead for storing the head node of the defect list, the structure defect for storing defects, and the structure reaction for storing reactions; According to the constructed structures defectHead, defect, reaction and the defects in the initial state of the SRSCD simulation system and the reactions in which the defects can participate, a Defect-Reaction List based on a linked list is created.
4. The material irradiation defect storage method suitable for multivariate SRSCD simulation according to claim 1, characterized in that: The created Defect-Reaction List has three dimensions in total. The first dimension is a two-dimensional array of type defectHead, which is the head node of the defect list. The two-dimensional array contains the number of volume elements and the number of "layers". The second dimension is a linked list of type defect, which is used to store all defects in the corresponding volume element. Defects are stored in "layers" according to their types. The third dimension is a linked list of type reaction, which is used to store the reaction associated with each defect in the volume element.
5. The material irradiation defect storage method suitable for multivariate SRSCD simulation according to claim 1, characterized in that: For the selected reaction, traverse each reactant and search for defects in the Defect-Reaction List that have the same type as the reactant, and perform corresponding operations based on the number of defects found.