CN111695244B - Material irradiation defect storage method suitable for multi-element SRSCD simulation - Google Patents
Material irradiation defect storage method suitable for multi-element SRSCD simulation Download PDFInfo
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Abstract
The invention provides a material irradiation defect storage method suitable for multi-element SRSCD simulation, which can realize efficient storage of defects and reactions and rapid searching, updating, inserting and deleting operations. The method comprises the following steps: creating a List based on Defect-Reaction according to the defects and the reactions in which the defects can participate in the initial state of the SRSCD simulation system; randomly selecting a reaction from the defect-reaction list; traversing each reactant for the selected reaction, searching for defects with the same type as the reactant type in the defect-reaction list, and executing corresponding operation according to the number of the searched defects; wherein the operations include: updating, inserting and deleting; for the selected reaction, traversing each product, searching whether defects with the same type as the product type exist in a defect-reaction list, and executing corresponding operation according to the searching result.
Description
Technical Field
The invention relates to the field of nuclear material irradiation damage simulation and the field of high-performance calculation, in particular to a material irradiation defect storage method suitable for multi-element SRSCD simulation.
Background
The service performance of structural materials in nuclear reactors mainly depends on microstructure evolution under irradiation, and the evolution behavior is driven by phenomena on different time scales and space scales. For example, cascading collisions typically occur in picoseconds, spanning tens of nanometers, while subsequent defect diffusion and other defect evolution behavior resulting therefrom take several seconds or even longer, spatially spanning micrometers to meters or even longer.
Cluster Dynamics (CD) developed based on average field rate theory has become an effective means to deal with this long time-space dimension problem. The "average field" feature enables CD to be free of space-time scale limitations, simulating defect evolution at very high radiation doses (100 dpa (displacements per atom)) and time scales (seconds to years). Under the mean field assumption, the evolution of the irradiation defect over time is described as a series of Ordinary Differential Equations (ODE) of defect concentration versus time, as follows:
wherein the first term on the right is the rate of generation of defect i (0 th order reaction); the second and third terms respectively the rate at which defect i becomes other defects and the other defects become defect i (1 st order reaction); the fourth and fifth items represent the rate at which the reaction between the two defects leads to disappearance and production of defect i (2 nd order reaction). It can be seen that the evolution equation is a coupled differential equation set, and the number of equations generally grows exponentially with the increase of defect types, up to 10 6 ～10 12 At this time, an approximation method is required for the solution. The grouping method and the Fokker-Planck method are two methods that are currently in common use. But its solving capability is limited by the dimension of the ODE system (i.e. defect type), it is often difficult to deal with the evolution problem of complex defect clusters.
Another approach to solving for CD is random cluster dynamics (Stochastic Cluster Dynamics, SCD), which is a random variant of CD, by confining the average field CD to a finite volume V, to transform the evolution equation of defect concentration described above into the number of defects evolving integer values in the finite volume V. The SCD simulates the defect evolution process in a limited volume through random sampling, so that the combined expansion of a large number of ODEs is avoided, and the SCD is very suitable for processing the evolution problem of complex defect clusters. It is because of its evolution of defects within a finite volume that the random cluster dynamics can have spatial resolution, i.e. spatially resolved random cluster dynamics (Spatially Resolved Stochastic Cluster Dynamics, SRSCD), if a plurality of such volume elements are considered, plus the difference in defect concentration between different volume elements and diffusion.
In SRSCD, it is believed that defects within each voxel are uniformly distributed, defects can aggregate and decompose, there are concentration differences between voxels and diffusion caused by them, the reaction rate of the various reactions between defects is deduced from classical CD methods, and the choice of reactions and time increment are determined by classical kinetic monte carlo (kinetic Monte Carlo, KMC) algorithms. In the simulation process, each reaction needs to be updated after it occurs, and the corresponding reaction is updated, which may involve deletion of old defects/reactions, addition of new defects/reactions, and updating of reaction rates. In addition, the number of reactions also increases rapidly to thousands or even millions as the simulation proceeds, and the types and sizes of defects also grow dynamically as the reactions proceed. To achieve a correct update of the defects and their responses, it is necessary to effectively locate the defects involved in the response and the responses associated with the changing defects during the simulation. This requires the creation of a suitable data structure to achieve efficient storage of defects and reactions, as well as fast seek, update, insert and delete operations. However, aiming at the characteristics that the types of defects and reaction types are various and dynamically increased in the multi-element SRSCD simulation, and the reaction types are closely related to the types of defects participating in the reaction, the data structure adopted in the prior art cannot realize efficient storage of the defects and the reaction, and quick searching, updating, inserting and deleting operations.
Disclosure of Invention
The invention aims to provide a material irradiation defect storage method suitable for multi-element SRSCD simulation, which aims to solve the problems that the efficient storage of defects and reactions cannot be realized and the operations of quick search, update, insertion and deletion exist in the prior art.
In order to solve the above technical problems, an embodiment of the present invention provides a material irradiation defect storage method suitable for multi-element SRSCD simulation, including:
creating a Defect-Reaction List based on a linked List according to defects and reactions in which the defects can participate in an initial state of an SRSCD simulation system, wherein the SRSCD represents spatially resolved random cluster dynamics and the Defect-Reaction List represents a Defect-Reaction List;
randomly selecting a Reaction from the Defect-Reaction List;
aiming at the selected Reaction, traversing each reactant, searching defects with the same type as the types of the reactants in the Defect-Reaction List, and executing corresponding operation according to the number of the searched defects; wherein the operations include: updating, inserting and deleting;
and traversing each product according to the selected Reaction, searching whether defects with the same type as the product exist in the Defect-Reaction List, and executing corresponding operation according to the searching result.
Further, creating the List based on the Defect-Reaction List according to the Defect and the Reaction that the Defect can participate in the initial state of the SRSCD simulation system includes:
constructing a structure body deltacthead for storing head nodes of the defect chain table, a structure body defect for storing defects and a structure body reaction for storing reactions;
and creating a Defect-Reaction List based on the linked List according to the structural body defectHead, defect, reaction and the SRSCD simulation system in the initial state and the Reaction in which the Defect can participate.
Further, members in the structural body deltahead include: cell and a defect list, wherein cell represents a volume element number and the defect list represents a pointer to a defect;
members of the structure body defect include: defectType, num, isMobile, down and right; wherein, the defect type indicates a defect type, num indicates a number of defects of the type defect type, isMobile is used to identify whether the defect is a movable defect, down indicates a pointer to the next defect, right indicates a pointer to the reaction;
members of the structure reaction include: type, numReactions, numProducts, reactions, products, cell, taskid, reactionRate and right; wherein, type is used for identifying 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, task is the process number where the product is located, and reactionRate is the reaction rate of the reaction, and right represents a pointer to the next reaction.
Further, the created Defect-Reaction List has three dimensions altogether, wherein the first dimension is a two-dimensional array with the type of a Defect head, which is a head node of a Defect linked List, and the number of the action volume elements in the two-dimensional array is the number of layers;
the second dimension is a linked list with the type of defect and is used for storing all defects in the corresponding volume element, and the defects are stored in layers according to the type of the defects;
the third dimension is a linked list of reactions of the type used to store the reactions associated with each defect in the voxel.
Further, before randomly selecting a Reaction from the Defect-Reaction List, the method further comprises:
creating a mobile defect list for the mobile defect for storing the mobile defect;
the movable defect list mobileDefectList has 2 dimensions, wherein the first dimension is a two-dimensional array with the type of the defect head, the two-dimensional array is a head node of a defect linked list, and the number of the action volume elements in the two-dimensional array and the number of the rows are layers;
the second dimension is a linked list with the type of defect and is used for storing all defects in the corresponding volume element, and the defects are stored in layers according to the type of the defects;
and the sense of the right pointer for each defect is set to null for updating the aggregation response.
Further, for the selected Reaction, traversing each reactant, searching defects in the Defect-Reaction List, which are the same as the types of the reactants, and executing corresponding operations according to the number of the searched defects comprises:
traversing each reactant according to the selected Reaction, searching the defects of the same type in the Defect-Reaction List according to the types of the reactants, and judging whether the number of the searched defects is more than 1;
if the number of the defects is greater 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 the related Reaction are deleted from the Defect-Reaction List.
Further, the deleting the Defect and the related Reaction from the Defect-Reaction List includes:
if the deleted defect is an immovable defect, deleting the corresponding reaction after deleting the defect;
if the deleted defect is a movable defect, traversing other defects after deleting the defect and the related reaction, and deleting the aggregation reaction related to the movable defect in the reaction chain table of each defect.
Further, for the selected Reaction, traversing each product, searching whether defects with the same type as the product exist in the Defect-Reaction List, and executing corresponding operations according to the search result comprises:
traversing each product according to the selected Reaction, and searching whether defects with the same type as the product type exist in the Defect-Reaction List;
if so, adding 1 to the defect number, and updating the reaction and the reaction rate related to the defect;
otherwise, the Defect and the related Reaction are inserted into the Defect-Reaction 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 defects and then sequentially inserting the related reactions;
if the inserted defect is a movable defect, traversing other defects after inserting the defect and the reaction related to the inserted defect, and adding aggregation reaction related to the movable defect after a reaction linked list 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 the defects and the reactions in which the defects can participate in the initial state of the SRSCD simulation system, wherein the SRSCD represents the dynamics of a spatially resolved random cluster; randomly selecting a Reaction from the Defect-Reaction List; aiming at the selected Reaction, traversing each reactant, searching defects with the same type as the types of the reactants in the Defect-Reaction List, and executing corresponding operation according to the number of the searched defects; aiming at the selected Reaction, traversing each product, searching whether defects with the same type as the product exist in the Defect-Reaction List, and executing corresponding operation according to the searching result; in this way, aiming at the characteristics that the types of defects and Reaction types in the multi-element SRSCD simulation are various and dynamically increased, and the Reaction types are closely related to the types of defects participating in the Reaction, based on the idea of a linked List, a high-efficiency storage structure-Defect-Reaction List suitable for the defects and the reactions thereof in the multi-element SRSCD simulation is adopted, and on the basis of saving memory, the high-efficiency storage of the defects and the reactions is realized, and the operations of quick searching, updating, inserting and deleting are performed, so that the simulation efficiency of the SRSCD is improved.
Drawings
FIG. 1 is a schematic flow chart of a method for storing irradiation defects of a material suitable for multi-element SRSCD simulation according to an embodiment of the present invention;
FIG. 2 is a detailed flow chart of a method for storing irradiation defects of a material suitable for multi-element 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 view of 6 diffusion directions according to an embodiment of the present invention;
FIG. 5 is a schematic diagram of a Defect-Reaction List provided in an embodiment of the present invention;
FIG. 6 is a schematic diagram of a defect removal and update related reaction according to an embodiment of the present invention;
FIG. 7 is a schematic diagram of an insert defect and update related reaction according to an embodiment of the present invention.
Detailed Description
In order to make the technical problems, technical solutions and advantages to be solved more apparent, the following detailed description will be given with reference to the accompanying drawings and specific embodiments.
Aiming at the problems that the existing efficient storage of defects and reactions cannot be realized and the operations of quick searching, updating, inserting and deleting are not realized, the invention provides a material irradiation defect storage method suitable for multi-element SRSCD simulation.
In this embodiment, for better understanding of the present invention, the following brief description will be given of related terms of defects and reactions:
(1) Defects(s)
Defects include: movable defects and immovable defects; wherein,,
the movable defect refers to a defect in which a diffusion reaction can occur;
the immovable defect refers to a defect that cannot be diffused.
(2) Reaction
For each reaction, the defects involved in the reaction are called reactants (reactants), the defects produced by the reaction are products (products), and the reactions between the defects mainly comprise the following five types:
reaction of 0 th order: referring to the generation of initial defects, the number of reactants is 0; if electron irradiation is performed, the product is 2 point defect (vacancy and self-interstitial atom); if neutron irradiation is used, the product is a plurality of defects, and the number of the products can be identified by-1 in the embodiment;
1 st order reaction: including decomposition reaction (disfiguration) and well absorption vanishing reaction (sinkRemovel), wherein the disfiguration has one reactant and 2 products; 1 sinkremove reactant and 2 products; the point defect can not generate a disfiguration reaction, and only the movable defect can generate a sinkremove reaction;
diffusion reaction (diffusion): defects diffuse from one voxel to another. 1 reactant and 1 product;
2 nd order reaction: for aggregation reactions (cloning), 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 material irradiation defect storage method suitable for multi-element SRSCD simulation provided by 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 an initial state of an SRSCD simulation system, wherein the SRSCD represents spatially resolved random cluster dynamics, and the Defect-Reaction List represents a Defect-Reaction List;
s102, randomly selecting a Reaction from the Defect-Reaction List;
s103, traversing each reactant according to the selected Reaction, searching defects with the same type as the reactant type in the Defect-Reaction List, and executing corresponding operation according to the number of the searched defects; wherein the operations include: 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 material irradiation Defect storage method suitable for multi-element SRSCD simulation, a Defect-Reaction List based on a linked List is created according to defects and reactions in which the defects can participate in an initial state of an SRSCD simulation system, wherein the SRSCD represents space-resolved random cluster dynamics; randomly selecting a Reaction from the Defect-Reaction List; aiming at the selected Reaction, traversing each reactant, searching defects with the same type as the types of the reactants in the Defect-Reaction List, and executing corresponding operation according to the number of the searched defects; aiming at the selected Reaction, traversing each product, searching whether defects with the same type as the product exist in the Defect-Reaction List, and executing corresponding operation according to the searching result; in this way, aiming at the characteristics that the types of defects and Reaction types in the multi-element SRSCD simulation are various and dynamically increased, and the Reaction types are closely related to the types of defects participating in the Reaction, based on the idea of a linked List, a high-efficiency storage structure-Defect-Reaction List suitable for the defects and the reactions thereof in the multi-element SRSCD simulation is adopted, and on the basis of saving memory, the high-efficiency storage of the defects and the reactions is realized, and the operations of quick searching, updating, inserting and deleting are performed, so that the simulation efficiency of the SRSCD is improved.
In the foregoing specific embodiment of the method for storing radiation defects of a material suitable for multi-element SRSCD simulation, further, as shown in fig. 2, the creating a Defect-Reaction List based on a linked List according to defects and reactions in which defects can participate in an initial state of an SRSCD simulation system includes:
constructing a structure body deltacthead for storing head nodes of the defect chain table, a structure body defect for storing defects and a structure body reaction for storing reactions;
and creating a Defect-Reaction List based on the linked List according to the structural body defectHead, defect, reaction and the SRSCD simulation system in the initial state and the Reaction in which the Defect can participate.
In the foregoing embodiment of the material irradiation defect storage method suitable for the multi-element SRSCD simulation, further, as shown in fig. 3, the members in the structure body defect head include: cell and a defect list, wherein cell represents a volume element number and the defect list represents a pointer to a defect;
members of the structure body defect include: defectType, num, isMobile, down and right; wherein, the defect type represents a defect type, wherein numSpecies is equal to the maximum element species considered by the SRSCD simulation system (e.g., numSpecies of Fe-Cu system is 2, numSpecies of Fe-Cu-He system is 3); num represents the number of defects of the type deltacttype; the isMobile is used to identify whether the defect is a movable defect (e.g., a movable defect, ismobile=1; a non-movable defect, ismobile=0); * down represents a pointer to the next defect; * right represents a pointer to the reaction;
members of the structure reaction include: type, numReactions, numProducts, reactions, products, cell, taskid, reactionRate and right; wherein, type is used for marking the type of reaction, numReactions are the number of reactions, components are the element types contained in the current defect, namely numspecialties are not less than components, if the type of reaction is a association reaction, the value of numReactions depends on the element types contained in the defect related to the association reaction; numProducts is the number of reactants; reactions are types of reactions; products are types of products; cell is the volume element number of the product; task is the process number (for parallel simulation) where the product is located; reactionRate is the reaction rate of the reaction; * right represents a pointer to the next reaction.
In this example, FIG. 3 is a structure used in the effect-action List, wherein the dotted arrow indicates the type of structure pointed by the pointer member within the structure, and the solid arrow indicates the order in which the type 4 reactions (dissociation, sinkRemovel, diffusion and classification) are stored in the effect-action List. It should be noted 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, right, left, front, back, up, down, for the diffusion reaction, as shown in fig. 4.
In the foregoing embodiment of the material irradiation Defect storage method suitable for multi-element SRSCD simulation, further, as shown in fig. 5, the created Defect-Reaction List has three dimensions altogether, where the first dimension is a two-dimensional array with a type of Defect head, and is a head node of a Defect linked List, and the number of action volume elements in the two-dimensional array is the number of "layers" (levels), where the number of levels is related to numspecifies;
the second dimension is a linked list with the type of defect and is used for storing all defects in the corresponding volume element, and the defects are stored in layers according to the type of the defects;
the third dimension is a linked list with the type of reaction 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 linked list of reactions, and for each defect, the reaction related to the defect is stored in turn; for the Clustering reaction, the Clustering reaction between the defect and each mobile defect in the voxel is stored in turn.
In this embodiment, "def" in fig. 5 is an abbreviation of defect, which indicates a defect; "reac" is an abbreviation for reaction, indicating a reaction.
In the foregoing embodiment of the method for storing a material irradiation Defect suitable for multi-element SRSCD simulation, further, before randomly selecting a Reaction from the Defect-Reaction List, the method further includes:
creating a mobile defect list for the mobile defect for storing the mobile defect;
the mobile defect list is 2 dimensions in total, the first dimension is a two-dimensional array with the type of the defect head, the two-dimensional array is a head node of a defect linked list, and the number of the action volume elements in the two-dimensional array is the number of layers;
the second dimension is a linked list with the type of defect and is used for storing all defects in the corresponding volume element, and the defects are stored in layers according to the types of the defects;
and sets the pointing of the right pointer for each defect to null for updating the managing reaction.
In this embodiment, the created list mobiledeffectlist uses only the first dimension and the second dimension in fig. 5.
In this embodiment, randomly selecting a Reaction from the Defect-Reaction List includes:
first check if the 0 th order reaction is satisfied
If yes, selecting a Reaction in the Defect-Reaction List, and if not, checking each Reaction corresponding to each Defect of each layer in the Defect-Reaction List in turn, and selecting a Reaction mu by using a random number, wherein the Reaction mu meets the requirements of
Wherein R is v The reaction rate of the v-th reaction; r is R tot Is the total reaction rate; r is (r) 1 Is a random number, r 1 ∈(0，1]。
In the foregoing embodiment of the method for storing radiation defects of a material suitable for multi-element SRSCD simulation, further, traversing each reactant for a selected Reaction, searching defects in the Defect-Reaction List, which are the same as the types of the reactants, and executing corresponding operations according to the number of the searched defects includes:
traversing each reactant according to the selected Reaction, searching the defects of the same type in the Defect-Reaction List according to the types of the reactants, and judging whether the number of the searched defects is more than 1;
if the number of the defects is greater 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 the related Reaction are deleted from the Defect-Reaction List.
In this embodiment, for the selected reactions, each Reaction is traversed, defects of the same type are 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 related reactions are updated, and the specific steps are as follows:
A1. the defect number is reduced by 1, if the defect is a movable defect, the corresponding defect number in the mobileDefect List is reduced by 1 at the same time;
A2. the reaction rate of the Dissociation, sinkRemovel, diffusion, clustering reaction associated therewith is updated in turn, depending on whether the reaction rate is equal to 0, and the reaction in the reaction chain pointed to by the defect light pointer in fig. 3, including the following possible operations:
updating the reaction rate: finding out corresponding reaction and updating the reaction rate;
deletion reaction: the operation of deleting the reaction is the same as the operation of deleting the defect in fig. 6;
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, deleting the Defect and the related Reaction from the Defect-Reaction List, as shown in fig. 6, and if the Defect is a movable Defect, deleting the corresponding Defect from the mobiledeffectlist.
In the foregoing embodiment of the method for storing a material irradiation Defect suitable for multi-element SRSCD simulation, further, the deleting the Defect and the related Reaction from the Defect-Reaction List includes:
if the defect is an immovable defect, deleting the defect and then sequentially deleting the reactions related to the defect, as shown in fig. 6 (a);
if the deleted defect is a movable defect, then the defect and the related reaction are deleted, and then other defects are traversed, and the clung reaction related to the movable defect in the reaction chain table of each defect is deleted, as shown in fig. 6 (b).
In this embodiment, fig. 6 is a schematic diagram of a "defect deletion" and update-related reaction. Wherein the implementation arrow indicates the pointing direction of the pointer, the dash-dot line indicates the newly inserted defect and reaction, the small "x" indicates the point of breaking the pointer, and the large "x" indicates the deletion of the defect/reaction.
In the foregoing specific embodiment of the material irradiation Defect storage method suitable for multi-element SRSCD simulation, further, traversing each product for the selected Reaction, searching whether a Defect with the same type as the product type exists in the Defect-Reaction List, and executing the corresponding operation 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 the Defect-Reaction List;
if so, adding 1 to the defect number, and updating the reaction and the reaction rate related to the defect;
otherwise, the Defect and the related Reaction are inserted into the Defect-Reaction List.
In this embodiment, for the selected Reaction, each product is traversed, and whether defects with the same type as the product type exist in the Defect-Reaction List is searched, and if so, the defects and related reactions are updated, which comprises the following specific steps:
B1. adding 1 to the number of defects, and adding 1 to the corresponding number of defects in the mobileDefect List if the defects are movable defects;
B2. the reaction rate of the Dissociation, sinkRemovel, diffusion, clustering reaction associated therewith is updated in turn, depending on whether the reaction rate is equal to 0, and the reaction in the reaction chain pointed to by the defect light pointer in fig. 3, including the following possible operations:
updating the reaction rate: finding out corresponding reaction and updating the reaction rate;
deletion reaction: the operation of deleting the reaction is the same as the operation of deleting the defect in fig. 6;
insertion reaction: the operation of deleting the reaction is the same as the operation of differentiating the defect in fig. 7;
otherwise, the Defect and the related Reaction are inserted into the Defect-Reaction List, as shown in FIG. 7.
In the foregoing embodiment of the method for storing a material irradiation Defect suitable for multi-element SRSCD simulation, further, the inserting the Defect and the related Reaction into the Defect-Reaction List includes:
if the inserted defect is an immovable defect, then inserting the defects and then sequentially inserting the corresponding reactions thereto, as shown in fig. 7 (a);
if the inserted defect is a movable defect, the inserted defect and the reaction related to the inserted defect are traversed to traverse other defects, and the reaction linked list of each defect is followed by adding the aggregation reaction related to the movable defect, as shown in fig. 7 (b).
In this embodiment, fig. 7 is a schematic diagram of "inserting a defect" and updating related reaction, wherein an arrow is implemented to indicate a pointer pointing, a dot-dash line indicates a newly inserted defect and reaction, and "x" indicates a pointer to break the pointer.
Compared with the prior art, the invention has the following beneficial effects:
1) In SRSCD, as the simulation proceeds, the types of defects and reactions in the system are continually growing dynamically, and the number is rapidly increasing to millions or even more. The Defect-Reaction List is stored by allocating discontinuous space for defects and reactions in a computer based on the idea of a linked List, so that effective storage of the defects and the reactions and quick addition of new defects and reactions and quick deletion operation of old defects and reactions are realized;
2) In the SRSCD simulation, five types of reactions are mainly involved, except for the 0-order reaction, other four types of reactions are closely related to the types of reactants, and each time a new defect type is added, four types of reactions related to the four types of reactions need to be added; and every time an old defect type is deleted, all four types of reactions it participates in need to be deleted. The Defect-Reaction List stores the defects and the reactions in a correlated way by arranging the pointer pointing to the reactions in the Defect structure body, so that the rapid and accurate operation of the operation can be realized.
While the foregoing is directed to the preferred embodiments of the present invention, it will be appreciated by those skilled in the art that various modifications and adaptations can be made without departing from the principles of the present invention, and such modifications and adaptations are intended to be comprehended within the scope of the present invention.
Claims (5)
1. A material irradiation defect storage method suitable for multi-element SRSCD simulation, comprising:
creating a Defect-Reaction List based on a linked List according to defects and reactions in which the defects can participate in an initial state of an SRSCD simulation system, wherein the SRSCD represents spatially resolved random cluster dynamics and the Defect-Reaction List represents a Defect-Reaction List;
randomly selecting a Reaction from the Defect-Reaction List;
aiming at the selected Reaction, traversing each reactant, searching defects with the same type as the types of the reactants in the Defect-Reaction List, and executing corresponding operation according to the number of the searched defects; wherein the operations include: updating, inserting and deleting;
aiming at the selected Reaction, traversing each product, searching whether defects with the same type as the product exist in the Defect-Reaction List, and executing corresponding operation according to the searching result;
wherein, creating the Defect-Reaction List based on the linked List according to the Defect and the Reaction in which the Defect can participate in the initial state of the SRSCD simulation system comprises:
constructing a structure body deltacthead for storing head nodes of the defect chain table, a structure body defect for storing defects and a structure body reaction for storing reactions;
according to the structural body defectHead, defect, reaction and the SRSCD simulation system, a Defect and a Reaction in which the Defect can participate in the initial state are constructed, and a Defect-Reaction List based on a linked List is created;
the method comprises the steps of creating a Defect-Reaction List, wherein the created Defect-Reaction List has three dimensions in total, the first dimension is a two-dimensional array with the type of a Defect head, the first dimension is a head node of a Defect linked List, and the number of action volume elements and columns in the two-dimensional array are the number of layers;
the second dimension is a linked list with the type of defect and is used for storing all defects in the corresponding volume element, and the defects are stored in layers according to the type of the defects;
the third dimension is a linked list with the type of reaction 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 linked list of reactions, and for each defect, the reaction related to the defect is stored in turn;
wherein, for the selected Reaction, traversing each reactant, searching defects in the Defect-Reaction List, which are the same as the types of the reactants, and executing corresponding operations according to the number of the searched defects, wherein the operations comprise:
traversing each reactant according to the selected Reaction, searching the defects of the same type in the Defect-Reaction List according to the types of the reactants, and judging whether the number of the searched defects is more than 1;
if the number of the defects is greater than 1, the number of the defects is reduced by 1, and the reaction rate related to the defects are updated;
otherwise, deleting the Defect and related reactions from the Defect-Reaction List;
the step of 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 operations according to the searching result 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 the Defect-Reaction List;
if so, adding 1 to the defect number, and updating the reaction and the reaction rate related to the defect;
otherwise, the Defect and the related Reaction are inserted into the Defect-Reaction List.
2. The material irradiance defect storing method adapted for use in a multi-element SRSCD simulation of claim 1, wherein the members of the structure body deltacthead comprise: cell and a defect list, wherein cell represents a volume element number and the defect list represents a pointer to a defect;
members of the structure body defect include: defectType, num, isMobile, down and right; wherein, the defect type indicates a defect type, num indicates a number of defects of the type defect type, isMobile is used to identify whether the defect is a movable defect, down indicates a pointer to the next defect, right indicates a pointer to the reaction;
members of the structure reaction include: type, numReactions, numProducts, reactions, products, cell, taskid, reactionRate and right; wherein, type is used for identifying 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, task is the process number where the product is located, and reactionRate is the reaction rate of the reaction, and right represents a pointer to the next reaction.
3. The method for storing material irradiance defects suitable for use in a multi-component SRSCD simulation of claim 1, wherein prior to randomly selecting a Reaction from the Defect-Reaction List, the method further comprises:
creating a mobile defect list for the mobile defect for storing the mobile defect;
the movable defect list mobileDefectList has 2 dimensions, wherein the first dimension is a two-dimensional array with the type of the defect head, the two-dimensional array is a head node of a defect linked list, and the number of the action volume elements in the two-dimensional array and the number of the rows are layers;
the second dimension is a linked list with the type of defect and is used for storing all movable defects in the corresponding volume element, and the defects are stored in layers according to the types of the defects;
and the sense of the right pointer for each defect is set to null for updating the aggregation response.
4. The method for storing material irradiation defects suitable for use in a multi-element SRSCD simulation according to claim 1, wherein said deleting the Defect and associated reactions from the Defect-Reaction List comprises:
if the deleted defect is an immovable defect, deleting the corresponding reaction after deleting the defect;
if the deleted defect is a movable defect, traversing other defects after deleting the defect and the related reaction, and deleting the aggregation reaction related to the movable defect in the reaction chain table of each defect.
5. The method for storing material irradiation defects suitable for use in a multi-element SRSCD simulation according to claim 1, wherein said inserting the defects and associated reactions into the Defect-Reaction List comprises:
if the inserted defect is an immovable defect, inserting the defects and then sequentially inserting the related reactions;
if the inserted defect is a movable defect, traversing other defects after inserting the defect and the reaction related to the inserted defect, and adding aggregation reaction related to the movable defect after a reaction linked list of each defect.
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| CN109727647A (en) * | 2018-12-29 | 2019-05-07 | 中国原子能科学研究院 | A kind of analogy method and system that irradiation causes material structure to develop |
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