CN111695244A - Material irradiation defect storage method suitable for multivariate SRSCD simulation - Google Patents
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Abstract
The invention provides a material irradiation defect storage method suitable for multivariate SRSCD simulation, which can realize efficient storage of defects and reactions and quick searching, updating, inserting and deleting operations. The method comprises the following steps: creating a Defect-Reaction List based on a linked List according to defects in an initial state of an SRSCD simulation system and reactions in which the defects can participate; randomly selecting a reaction from the defect-reaction list; traversing each reactant according to the selected reaction, searching for the defects with the same type as the type of the reactant in the defect-reaction list, and executing corresponding operation according to the number of the searched defects; wherein the operations comprise: updating, inserting and deleting; the invention relates to the field of nuclear material irradiation damage simulation and the field of high-performance calculation, which aims at the selected reaction, traverses each product, searches whether a defect with the same type as the product type exists in a defect-reaction list, and executes corresponding operation according to the search result.
Description
Technical Field
The invention relates to the field of nuclear material irradiation damage simulation and high-performance calculation, in particular to a material irradiation defect storage method suitable for multivariate SRSCD simulation.
Background
The service performance of structural materials in nuclear reactors mainly depends on the microstructure evolution under irradiation, and the evolution behavior is driven by phenomena on different time scales and space scales. For example, cascade collisions typically occur within a few picoseconds, spanning tens of nanometers, while subsequent defect propagation and other resulting defect evolution behavior take several seconds or even longer, with spatial spans reaching the micrometer to meter or even longer scale.
Cluster Dynamics (CD) developed based on the mean field rate theory has become an effective means to deal with this long-space-length problem. The feature of "mean field" enables CD not to be limited by spatio-temporal scale, and can simulate defect evolution at very high irradiation dose (100dpa (displacements per atom)) and time scale (seconds to years). The evolution of irradiation defects over time under the mean field assumption is described as a series of Ordinary Differential Equations (ODEs) of defect concentration versus time, as follows:
wherein, the first term on the right is the generation rate of defect i (0 order reaction); the second and third terms respectively the rate at which defect i becomes other defects and other defects become defect i (1 st order reaction); the fourth and fifth terms indicate the rate at which the reaction between the two defects leads to the disappearance and generation of defect i (2-order reaction). It can be seen that the evolution equation is a coupled set of differential equations, and the number of equations generally grows exponentially as the defect type increases, reaching 106～1012At this time, it is necessary toThe approximation method is used for solving. The grouping method and the Fokker-Planck method are two methods that are currently in common use. But its resolving power is limited by the dimension of the ODE system (i.e. defect species), and it is often difficult to deal with the evolution problem of complex defect clusters.
Another method for solving CD is Stochastic Cluster Dynamics (SCD), which is a random variation of CD, and converts the above-mentioned evolution equation of defect concentration into the number of defects evolving an integer value in a finite volume V by confining the mean field CD within the finite volume V. The SCD simulates the defect evolution process in a finite volume through random sampling, thereby avoiding the combination expansion of a large amount of ODEs and being very suitable for processing the evolution problem of complex defect clusters. Just as it considers defect evolution within a finite volume, random Cluster Dynamics can have spatial resolution, i.e. Spatially Resolved random Cluster Dynamics (SRSCD), if a plurality of such volume elements are considered, together with defect concentration differences and diffusion between different volume elements.
In SRSCD, it is believed that defects are uniformly distributed within each volume element, defects can aggregate and decompose, while there is a concentration difference between volume elements and resulting diffusion, the reaction rates of various reactions between defects are deduced from the classical CD method, and the choice and time increment of the reactions are determined by the classical Kinetic Monte Carlo (KMC) algorithm. In the simulation process, after each reaction has taken place, the defect involved in the reaction needs to be updated, and the corresponding reaction updated, which may involve deletion of old defects/reactions, addition of new defects/reactions, and update of the reaction rate. In addition, the number of reactions also rapidly increases to thousands or even millions as the simulation progresses, and the types and sizes of defects also dynamically increase as the reactions progress. To achieve the correct updating of the defects and their reactions, it is necessary to efficiently locate the defects involved in the reactions and the reactions associated with the changed defects during the simulation. There is a need to create a suitable data structure to enable efficient storage of defects and reactions, as well as fast lookup, update, insert, and delete operations. However, aiming at the characteristics that the defect types and the reaction types in the multivariate SRSCD simulation are various and dynamically increased, and the reaction types are closely related to the defect types participating in the reaction, the data structure adopted in the prior art cannot realize the efficient storage of the defects and the reactions, and the quick searching, updating, inserting and deleting operations.
Disclosure of Invention
The technical problem to be solved by the invention is to provide a material irradiation defect storage method suitable for multivariate SRSCD simulation, so as to solve the problems that the high-efficiency storage of defects and reactions and the quick searching, updating, inserting and deleting operations cannot be realized in the prior art.
In order to solve the above technical problem, an embodiment of the present invention provides a material irradiation defect storage method suitable for multivariate SRSCD simulation, including:
creating a Defect-Reaction List based on a linked List according to defects in an initial state of an SRSCD simulation system and reactions in which the defects can participate, wherein the SRSCD represents space resolution random cluster dynamics, and the Defect-Reaction List represents a Defect-Reaction List;
randomly selecting a Reaction from a Defect-Reaction List;
traversing each reactant according to the selected Reaction, searching for the defects with the same type as the reactant in the Defect-Reaction List, and executing corresponding operation according to the number of the searched defects; wherein the operations comprise: updating, inserting and deleting;
and traversing each product according to the selected Reaction, searching whether defects with the same type as the product type exist in the Defect-Reaction List, and executing corresponding operation according to the search result.
Further, the creating a Defect-Reaction List based on a linked List according to the Defect of the SRSCD simulation system in the initial state and the Reaction that the Defect may participate in includes:
constructing a structural body depecthead for storing head nodes of the defect chain table, a structural body depectt for storing defects and a structural body reaction for storing reaction;
and creating a Defect-Reaction List based on the linked List according to the defects of the structured depecthead, the Defect, the action and the SRSCD simulation system in the initial state and the reactions in which the defects can participate.
Further, the members of the structure deffecthead include: the defect detection method comprises the steps of (1) cell and a Defect List, wherein the cell represents a volume element number, and the Defect List represents a pointer pointing to a defect;
the member of the structure defect comprises: defectType, num, isMobile, down, and right; wherein deffectType represents the defect type, num represents the number of defects of type deffectType, isMobile is used to identify whether the defect is a movable defect, down represents the pointer to the next defect, and right represents the pointer to the reaction;
members in the structure interaction include: type, numReactions, numproductis, reactivations, productis, cell, taskid, reactivionRate, and right; the type is used for identifying the type of the reaction, numReactions are the number of the reaction, numProducts are the number of the reactant, reactions are the type of the reaction, products are the type of the product, cell is the number of the volume element where the product is located, taskid is the number of the process where the product is located, reactivenate is the reaction rate of the reaction, and right represents a pointer pointing to the next reaction.
Further, the created Defect-Reaction List has three dimensions, wherein the first dimension is a two-dimensional array with the type of a Defect head, the two-dimensional array is a head node of a Defect linked List, and the number of row volume elements and the number of columns in the two-dimensional array are the number of layers;
the second dimension is a linked list with the type of defect, and the linked list is used for storing all defects in the corresponding volume element and storing the defects according to the type of the defects;
the third dimension is a linked list of type interaction for storing the reaction associated with each defect in the volume element.
Further, before randomly selecting a Reaction from the Defect-Reaction List, the method further comprises:
creating a movable defect list mobileDefectList for the movable defects, wherein the movable defect list is used for storing the movable defects;
the movable defect list mobiledefectList has 2 dimensions, the first dimension is a two-dimensional array with the type being a defectHead, the two-dimensional array is a head node of a defect linked list, and the number of row volume elements and the number of column layers in the two-dimensional array are the number of layers;
the second dimension is a linked list with the type of defect, and the linked list is used for storing all defects in the corresponding volume element and storing the defects according to the type of the defects;
and the point of the right pointer for each defect is set to null for updating the aggregation response.
Further, the traversing each reactant for the selected Reaction, searching for the Defect of which the type is the same as that of the reactant in the Defect-Reaction List, and executing the corresponding operation according to the number of the searched defects includes:
traversing each reactant according to the selected reaction, searching the same type of defects in the Defect-reactionList according to the type of the reactant, and judging whether the number of the searched defects is more than 1;
if the number of the defects is more than 1, the number of the defects is reduced by 1, and the reaction rate related to the defects are updated;
otherwise, the Defect and associated response are deleted from the Defect-response List.
Further, the deleting the Defect and the associated Reaction from the Defect-Reaction List includes:
if the deleted defect is an immovable defect, deleting the defects and then sequentially deleting the related reactions;
if the deleted defect is a movable defect, after the defect and the reaction related to the defect are deleted, other defects are traversed, and the aggregation reaction related to the movable defect in the reaction chain table of each defect is deleted.
Further, the traversing each product for the selected Reaction, and searching whether a Defect of the same type as the product type exists in the Defect-Reaction List, and executing corresponding operations according to the search result includes:
traversing each product according to the selected Reaction, and searching whether defects with the same type as the product type exist in a Defect-Reaction List;
if so, adding 1 to the number of the defects, and updating the reaction and the reaction rate related to the defects;
otherwise, the Defect and associated response are inserted into the Defect-response List.
Further, the inserting the Defect and the related Reaction into the Defect-Reaction List includes:
if the inserted defect is an immovable defect, inserting the defect and then sequentially inserting the related reactions;
if the inserted defect is a movable defect, after inserting the defect and the reaction related to the defect, traversing other defects, and adding the aggregation reaction related to the movable defect after the reaction chain table of each defect.
The technical scheme of the invention has the following beneficial effects:
in the scheme, a Defect-Reaction List based on a linked List is created according to defects in an initial state of an SRSCD simulation system and reactions in which the defects can participate, wherein the SRSCD represents space resolution random cluster dynamics; randomly selecting a Reaction from a Defect-Reaction List; traversing each reactant according to the selected Reaction, searching for the defects with the same type as the reactant in the Defect-Reaction List, and executing corresponding operation according to the number of the searched defects; traversing each product according to the selected Reaction, searching whether defects with the same type as the product type exist in a Defect-Reaction List, and executing corresponding operation according to the search result; therefore, aiming at the characteristics that the Defect types and the reaction types in the multi-element SRSCD simulation are various and dynamically increased, and the reaction types are closely related to the Defect types participating in the reaction, based on the thought of a linked list, a Defect-reaction List which is a high-efficiency storage structure suitable for the defects and the reactions in the multi-element SRSCD simulation is adopted, on the basis of saving the memory, the high-efficiency storage of the defects and the reactions is realized, and the operations of quick searching, updating, inserting and deleting are realized, so that the simulation efficiency of the SRSCD is improved.
Drawings
Fig. 1 is a schematic flowchart of a material irradiation defect storage method suitable for multivariate SRSCD simulation according to an embodiment of the present invention;
fig. 2 is a detailed flowchart schematic diagram of a material irradiation defect storage method suitable for multivariate SRSCD simulation according to an embodiment of the present invention;
FIG. 3 is a schematic structural diagram of a structure used in a Defect-Reaction List according to an embodiment of the present invention;
FIG. 4 is a schematic diagram of 6 diffusion directions provided by an embodiment of the present invention;
FIG. 5 is a schematic diagram of a Defect-Reaction List according to an embodiment of the present invention;
FIG. 6 is a diagram illustrating a defect deletion and update related responses according to an embodiment of the present invention;
FIG. 7 is a diagram illustrating insertion of defects and update-related responses according to an embodiment of the present invention.
Detailed Description
In order to make the technical problems, technical solutions and advantages of the present invention more apparent, the following detailed description is given with reference to the accompanying drawings and specific embodiments.
The invention provides a material irradiation defect storage method suitable for multivariate SRSCD simulation, aiming at the problems that the existing method can not realize efficient storage of defects and reactions and can not realize quick searching, updating, inserting and deleting operations.
In this example, in order to better understand the present invention, the related terms of defects and reactions are briefly described as follows:
(1) defect of
The defects include: movable defects and immovable movable defects; wherein,
movable defects refer to defects where diffusion reactions can occur;
an immobile defect refers to a defect that cannot be diffused.
(2) Reaction of
For each reaction, the defects participating in the reaction are called reactants (reactants), the defects generated by the reaction are products (products), and the reactions between the defects mainly comprise the following five types:
0-order reaction: refers to the generation of initial defects, with 0 reactant; if electron irradiation is adopted, the product is 2-point defect (vacancy and self-interstitial atom); if the neutron irradiation is adopted, the product is a plurality of defects, and the number of the product in the embodiment can be marked by-1;
1-stage reaction: the method comprises a decomposition reaction (dissociation) and a reaction (sinkRemovel) which disappears due to the absorption of a trap, wherein the number of dissociation reactants is one, and the number of products is 2; 1 reactant of the sinkRemolel and 2 products; the point defect can not generate dissociation reaction, only the movable defect can generate sinkRemolel reaction;
diffusion reaction (diffusion): defects diffuse from one volume element to another. 1 reactant and 1 product;
2-stage reaction: for the aggregation reaction (clustering), at least one mobile defect is involved, 2 reactants, 0, 1 or more products, the specific number of products depending on the type of reactants.
As shown in fig. 1, a method for storing irradiation defects of a material suitable for multivariate SRSCD simulation provided in an embodiment of the present invention includes:
s101, creating a Defect-Reaction List based on a linked List according to defects and reactions in which the defects can participate in the SRSCD simulation system in an initial state, wherein the SRSCD represents space resolution random cluster dynamics, and the Defect-Reaction List represents a Defect-Reaction List;
s102, randomly selecting a Reaction from a Defect-Reaction List;
s103, traversing each reactant according to the selected Reaction, searching for the defects with the same type as the reactant in the Defect-Reaction List, and executing corresponding operation according to the number of the searched defects; wherein the operations comprise: updating, inserting and deleting;
s104, traversing each product according to the selected Reaction, searching whether defects with the same type as the product type exist in the Defect-Reaction List, and executing corresponding operation according to the searching result.
According to the method for storing the irradiation defects of the material suitable for the multi-element SRSCD simulation, defects in the initial state of an SRSCD simulation system and reactions in which the defects can participate are used for creating Defect-reactionList based on a linked list, wherein SRSCD represents space resolution random cluster dynamics; randomly selecting a Reaction from a Defect-Reaction List; traversing each reactant according to the selected Reaction, searching for the defects with the same type as the reactant in the Defect-Reaction List, and executing corresponding operation according to the number of the searched defects; traversing each product according to the selected Reaction, searching whether defects with the same type as the product type exist in a Defect-Reaction List, and executing corresponding operation according to the search result; therefore, aiming at the characteristics that the Defect types and the Reaction types in the multi-element SRSCD simulation are various and dynamically increased, and the Reaction types are closely related to the Defect types participating in the Reaction, based on the thought of a linked List, a Defect-Reaction List which is a high-efficiency storage structure suitable for the defects and the reactions in the multi-element SRSCD simulation is adopted, on the basis of saving the memory, the high-efficiency storage of the defects and the reactions is realized, and the operations of quick searching, updating, inserting and deleting are realized, so that the simulation efficiency of the SRSCD is improved.
In the foregoing embodiment of the method for storing irradiation defects of a material suitable for multiple SRSCD simulation, further, as shown in fig. 2, the creating a Defect-Reaction List based on a linked List according to the defects in the SRSCD simulation system in the initial state and reactions in which the defects may participate includes:
constructing a structural body depecthead for storing head nodes of the defect chain table, a structural body depectt for storing defects and a structural body reaction for storing reaction;
and creating a Defect-Reaction List based on the linked List according to the defects of the structured depecthead, the Defect, the action and the SRSCD simulation system in the initial state and the reactions in which the defects can participate.
In the foregoing specific embodiment of the method for storing irradiation defects of a material suitable for multivariate SRSCD simulation, further, as shown in fig. 3, the members of the structure depfecthead include: the defect detection method comprises the steps of (1) cell and a Defect List, wherein the cell represents a volume element number, and the Defect List represents a pointer pointing to a defect;
the member of the structure defect comprises: defectType, num, isMobile, down, and right; wherein the defectType represents a defect type, wherein numspecs is equal to the maximum element type considered by the SRSCD simulation system (e.g., 2 for the numspecs of the Fe-Cu system and 3 for the numspecs of the Fe-Cu-He system); num represents the number of defects of type deffecttype; isMobile is used to identify whether the defect is a mobile defect (e.g., mobile defect, isMobile ═ 1; immobile defect, isMobile ═ 0); down represents a pointer to the next defect; right represents a pointer to a reaction;
members in the structure interaction include: type, numReactions, numproductis, reactivations, productis, cell, taskid, reactivionRate, and right; the type is used for identifying the type of the reaction, numReactions are the number of the reaction, components are the number of element types contained in the current defect, namely, numspecs is more than or equal to the components, and if the type of reaction is a dissociation reaction, the value of numReactions depends on the number of element types contained in the defect related to the dissociation reaction; numProducts is the number of reactants; reactivations are types of reactions; products are types of products; the cell is the number of the volume element where the product is located; taskid is the process number where the product is located (for parallel simulation); the reactionRate is the reaction rate of the reaction; right denotes a pointer to the next reaction.
In this embodiment, fig. 3 is a structure used in the Defect-Reaction List, where a dotted arrow represents a structure type pointed by a pointer-type member in the structure, and a solid arrow represents a sequence stored in the Defect-Reaction List by 4 types of reactions (disorder, sinkRemovel, dispersion, and clustering). Note that the 0 th order Reaction is not stored in the Defect-Reaction List, but is stored separately.
In this example, there are 6 diffusion directions for the diffusion reaction, right, left, front, back, up and down, as shown in fig. 4.
In the foregoing specific embodiment of the material irradiation Defect storage method suitable for multivariate SRSCD simulation, further, as shown in fig. 5, a total of three dimensions of the created Defect-Reaction List are provided, where the first dimension is a two-dimensional array with a type of Defect head, which is a head node of the Defect linked List, and the number of row volume elements in the two-dimensional array is listed as the number of "layers" (levels), where the number of levels is related to numspeces;
the second dimension is a linked list with the type of defect, and the linked list is used for storing all defects in the corresponding volume element and storing the defects according to the type of the defects;
the third dimension is a linked list with the type of action and is used for storing the reaction related to each defect in the volume element, wherein the defect is used as a head node of the reaction linked list, and the reaction related to each defect is stored in sequence; for the Clustering reaction, the Clustering reaction between the defect and each movable defect within the volume element is stored in turn.
In this embodiment, "def" in fig. 5 is an abbreviation for defect, indicating a defect; "reac" is an abbreviation for action and indicates the reaction.
In the foregoing specific embodiment of the method for storing irradiation defects of materials suitable for multivariate SRSCD simulation, further, before randomly selecting a Reaction from Defect-Reaction List, the method further includes:
creating a movable defect list mobileDefectList for the movable defects, wherein the movable defect list is used for storing the movable defects;
the movable defect list mobileDefectList has 2 dimensions, the first dimension is a two-dimensional array with the type being a defectHead, the two-dimensional array is a head node of a defect linked list, and the number of row volume elements in the two-dimensional array is the number of layers (levels);
the second dimension is a linked list with the type of defect, and the linked list is used for storing all defects in the corresponding volume element and storing the defects according to the type of the defects in a 'layer' mode;
and sets the point of the right pointer of each defect to null for updating the Clustering reaction.
In this embodiment, the created list mobileDefectList only uses the first dimension and the second dimension in fig. 5.
In this embodiment, randomly selecting one Reaction from the Defect-Reaction List includes:
first, see if the 0 th order reaction is satisfied
If the response mu meets the requirement, the response is not selected in the Defect-Reaction List, if the response does not meet the requirement, each response corresponding to each Defect of each layer is checked in the Defect-Reaction List in sequence, and a response mu is selected by using a random number, wherein the response mu meets the requirement
Wherein R isvThe reaction rate of the v-th reaction; rtotIs the total reaction rate; r is1Is a random number, r1∈(0，1]。
In the foregoing specific implementation manner of the material irradiation Defect storage method suitable for multivariate SRSCD simulation, further, traversing each reactant for the selected Reaction, searching for a Defect in a Defect-Reaction List with the same type as that of the reactant, and performing corresponding operations according to the number of the searched defects includes:
traversing each reactant according to the selected reaction, searching the same type of defects in the Defect-reactionList according to the type of the reactant, and judging whether the number of the searched defects is more than 1;
if the number of the defects is more than 1, the number of the defects is reduced by 1, and the reaction rate related to the defects are updated;
otherwise, the Defect and associated response are deleted from the Defect-response List.
In this embodiment, for the selected Reaction, each Reaction is traversed, the same type of Defect is searched in the Defect-Reaction List according to the type of the reactant, and if the number of the searched defects is greater than 1, the defects and the related reactions are updated, which includes the following specific steps:
A1. subtracting 1 from the number of defects, and if the defects are movable defects, simultaneously subtracting 1 from the corresponding number of defects in the mobileDefectList;
A2. updating the reaction rates of the Dissociation, sinkRemovel, Diffusion, and Clustering reactions associated therewith in sequence, according to whether the reaction rates are equal to 0 and the reactions in the reaction chain table pointed to by the Defect _ right pointer in FIG. 3, includes the following possible operations:
updating the reaction rate: finding out corresponding reaction and updating the reaction rate;
and (3) deletion reaction: the operation of deleting the reaction is the same as the operation of deleting the defect in fig. 6;
and (3) insertion reaction: the operation of deleting the reaction is the same as the operation of inserting the defect in FIG. 7;
if the number of the found defects is less than or equal to 1, the Defect and the related Reaction are deleted from the Defect-Reaction List, as shown in fig. 6, and if the Defect is a movable Defect, the corresponding Defect is deleted from the mobile Defect List at the same time.
In the foregoing specific embodiment of the method for storing material irradiation defects suitable for multivariate SRSCD simulation, further, the removing the defects and the associated reactions from the Defect-Reaction List includes:
if the deleted defect is an unmovable defect, deleting the defects and then sequentially deleting the reactions related to the defects, as shown in fig. 6 (a);
if the deleted defect is a movable defect, after deleting the defect and the reaction related to the defect, traversing other defects, and deleting the Clustering reaction related to the movable defect in the reaction chain table of each defect, as shown in fig. 6 (b).
In this embodiment, fig. 6 is a schematic diagram of "defect deletion" and update-related reactions. Where the implementation arrow indicates pointer pointing, the dotted line indicates a newly inserted defect and reaction, a small "x" indicates breaking the pointer pointing, and a large "x" indicates deleting the defect/reaction.
In the foregoing specific implementation manner of the material irradiation Defect storage method suitable for multivariate SRSCD simulation, further, the traversing each product for the selected Reaction, and searching whether a Defect of the same type as that of the product exists in the Defect-Reaction List, and performing corresponding operations according to the search result includes:
traversing each product according to the selected Reaction, and searching whether defects with the same type as the product type exist in a Defect-Reaction List;
if so, adding 1 to the number of the defects, and updating the reaction and the reaction rate related to the defects;
otherwise, the Defect and associated response are inserted into the Defect-response List.
In this embodiment, for the selected Reaction, each product is traversed, whether a Defect of the same type as the product type exists in the Defect-Reaction List is searched, and if the Defect-Reaction List exists, the Defect and the related Reaction are updated, and the specific steps are as follows:
B1. adding 1 to the number of defects, and if the defects are movable defects, adding 1 to the corresponding number of defects in the mobileDefectList;
B2. updating the reaction rates of the Dissociation, sinkRemovel, Diffusion, and Clustering reactions associated therewith in sequence, according to whether the reaction rates are equal to 0 and the reactions in the reaction chain table pointed to by the Defect _ right pointer in FIG. 3, includes the following possible operations:
updating the reaction rate: finding out corresponding reaction and updating the reaction rate;
and (3) deletion reaction: the operation of deleting the reaction is the same as the operation of deleting the defect in fig. 6;
and (3) insertion reaction: the operation of the deletion reaction is the same as the operation of the subtraction of defects in FIG. 7;
otherwise, the Defect and associated response are inserted into the Defect-response List, as shown in FIG. 7.
In the foregoing specific implementation of the method for storing material irradiation defects suitable for multivariate SRSCD simulation, further, the inserting the defects and the associated reactions into the Defect-Reaction List includes:
if the inserted defect is an immovable defect, inserting the inserted defect and then sequentially inserting the reactions related to the inserted defect, as shown in fig. 7 (a);
if the inserted defect is a movable defect, after inserting the defect and the reaction associated with the defect, other defects are traversed, and the aggregation reaction associated with the movable defect is added after the reaction chain table of each defect, as shown in fig. 7 (b).
In this embodiment, fig. 7 is a schematic diagram of "inserting a defect" and updating a related reaction, in which an implementation arrow indicates a pointer direction, a dot-dash line indicates a newly inserted defect and reaction, and an "x" indicates a point of disconnecting the pointer.
Compared with the prior art, the invention has the following beneficial effects:
1) in SRSCD, the defect types and reaction types in the system are continuously and dynamically increasing as the simulation progresses, and the number of the defect types and reaction types can rapidly increase to millions or more. The Defect-Reaction List of the invention is stored by allocating discontinuous space for defects and reactions in a computer based on the thought of a linked List, thereby realizing the effective storage of the defects and the reactions, the quick addition of new defects and reactions and the quick deletion of old defects and reactions;
2) in the SRSCD simulation, five types of reactions are mainly involved, except for 0-order reaction, other four types of reactions are closely related to the types of reactants, and the four types of reactions related to the reactions need to be added every time a new defect type is added; and every time an old defect type is deleted, all four types of reactions in which it participates need to be deleted. The Defect-Reaction List of the invention stores the defects and the reactions in a related way by setting a pointer pointing to the reactions in the Defect structure body, thereby realizing the rapid and accurate operation of the operation.
While the foregoing is directed to the preferred embodiment of the present invention, it will be understood by those skilled in the art that various changes and modifications may be made without departing from the spirit and scope of the invention as defined in the appended claims.
Claims (9)
1. A material irradiation defect storage method suitable for multivariate SRSCD simulation is characterized by comprising the following steps:
creating a Defect-Reaction List based on a linked List according to defects in an initial state of an SRSCD simulation system and reactions in which the defects can participate, wherein the SRSCD represents space resolution random cluster dynamics, and the Defect-Reaction List represents a Defect-Reaction List;
randomly selecting a Reaction from a Defect-Reaction List;
traversing each reactant according to the selected Reaction, searching for the defects with the same type as the reactant in the Defect-Reaction List, and executing corresponding operation according to the number of the searched defects; wherein the operations comprise: updating, inserting and deleting;
and traversing each product according to the selected Reaction, searching whether defects with the same type as the product type exist in the Defect-Reaction List, and executing corresponding operation according to the search result.
2. The method for storing the irradiation defects of the material suitable for the multivariate SRSCD simulation as recited in claim 1, wherein the creating a Defect-Reaction List based on the linked List according to the defects in the initial state of the SRSCD simulation system and the reactions that the defects can participate in comprises:
constructing a structural body depecthead for storing head nodes of the defect chain table, a structural body depectt for storing defects and a structural body reaction for storing reaction;
and creating a Defect-Reaction List based on the linked List according to the defects of the structured depecthead, the Defect, the action and the SRSCD simulation system in the initial state and the reactions in which the defects can participate.
3. The method for storing material irradiation defects suitable for multivariate SRSCD simulation as recited in claim 2, wherein the members in the structure depfecthead comprise: the defect detection method comprises the steps of (1) cell and a Defect List, wherein the cell represents a volume element number, and the Defect List represents a pointer pointing to a defect;
the member of the structure defect comprises: defectType, num, isMobile, down, and right; wherein deffectType represents the defect type, num represents the number of defects of type deffectType, isMobile is used to identify whether the defect is a movable defect, down represents the pointer to the next defect, and right represents the pointer to the reaction;
members in the structure interaction include: type, numReactions, numproductis, reactivations, productis, cell, taskid, reactivionRate, and right; the type is used for identifying the type of the reaction, numReactions are the number of the reaction, numProducts are the number of the reactant, reactions are the type of the reaction, products are the type of the product, cell is the number of the volume element where the product is located, taskid is the number of the process where the product is located, reactivenate is the reaction rate of the reaction, and right represents a pointer pointing to the next reaction.
4. The method for storing the material irradiation defects suitable for the multivariate SRSCD simulation as recited in claim 1, wherein the created Defect-Reaction List has three dimensions, wherein the first dimension is a two-dimensional array with the type of Defect head, the two-dimensional array is a head node of a Defect chain table, and the two-dimensional array has the number of row volume elements and the number of columns as layers;
the second dimension is a linked list with the type of defect, and the linked list is used for storing all defects in the corresponding volume element and storing the defects according to the type of the defects in a 'layer' mode;
the third dimension is a linked list of type interaction for storing the reaction associated with each defect in the volume element.
5. The method of claim 1, wherein before randomly selecting a Reaction from a Defect-Reaction List, the method further comprises:
creating a movable defect list mobileDefectList for the movable defects, wherein the movable defect list is used for storing the movable defects;
the movable defect list mobiledefectList has 2 dimensions, the first dimension is a two-dimensional array with the type being a defectHead, the two-dimensional array is a head node of a defect linked list, and the number of row volume elements and the number of column layers in the two-dimensional array are the number of layers;
the second dimension is a linked list with the type of defect, and the linked list is used for storing all movable defects in the corresponding volume element and storing the defects according to the type of the defects in a 'layer' mode;
and the point of the right pointer for each defect is set to null for updating the aggregation response.
6. The method for storing the material irradiation defects suitable for the multivariate SRSCD simulation as recited in claim 1, wherein the step of traversing each reactant for the selected Reaction to search for the defects with the same type as the reactant in the Defect-Reaction List comprises the steps of:
traversing each reactant according to the selected Reaction, searching the same type of defects in a Defect-Reaction List according to the type of the reactant, and judging whether the number of the searched defects is more than 1;
if the number of the defects is more than 1, the number of the defects is reduced by 1, and the reaction rate related to the defects are updated;
otherwise, the Defect and associated response are deleted from the Defect-response List.
7. The method of claim 6, wherein the removing the Defect and the associated Reaction from the Defect-Reaction List comprises:
if the deleted defect is an immovable defect, deleting the defects and then sequentially deleting the related reactions;
if the deleted defect is a movable defect, after the defect and the reaction related to the defect are deleted, other defects are traversed, and the aggregation reaction related to the movable defect in the reaction chain table of each defect is deleted.
8. The method for storing the material irradiation defects suitable for the multivariate SRSCD simulation as recited in claim 1, wherein the step of traversing each product for the selected Reaction to find whether the Defect of the same type as the product type exists in a Defect-Reaction List comprises the following steps:
traversing each product according to the selected Reaction, and searching whether defects with the same type as the product type exist in a Defect-Reaction List;
if so, adding 1 to the number of the defects, and updating the reaction and the reaction rate related to the defects;
otherwise, the Defect and associated response are inserted into the Defect-response List.
9. The method of claim 8, wherein the inserting the Defect and the associated Reaction into a Defect-Reaction List comprises:
if the inserted defect is an immovable defect, inserting the defect and then sequentially inserting the related reactions;
if the inserted defect is a movable defect, after inserting the defect and the reaction related to the defect, traversing other defects, and adding the aggregation reaction related to the movable defect after the reaction chain table of each defect.
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