CN113076640B - Zirconium-based alloy irradiation damage software simulation system and method based on cluster dynamics - Google Patents
Zirconium-based alloy irradiation damage software simulation system and method based on cluster dynamics Download PDFInfo
- Publication number
- CN113076640B CN113076640B CN202110348089.0A CN202110348089A CN113076640B CN 113076640 B CN113076640 B CN 113076640B CN 202110348089 A CN202110348089 A CN 202110348089A CN 113076640 B CN113076640 B CN 113076640B
- Authority
- CN
- China
- Prior art keywords
- data
- simulation
- calculation
- cluster
- irradiation
- Prior art date
- Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
- Active
Links
Images
Classifications
-
- G—PHYSICS
- G06—COMPUTING; CALCULATING OR COUNTING
- G06F—ELECTRIC DIGITAL DATA PROCESSING
- G06F30/00—Computer-aided design [CAD]
- G06F30/20—Design optimisation, verification or simulation
-
- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
- G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
- G16C20/10—Analysis or design of chemical reactions, syntheses or processes
-
- G—PHYSICS
- G06—COMPUTING; CALCULATING OR COUNTING
- G06F—ELECTRIC DIGITAL DATA PROCESSING
- G06F2111/00—Details relating to CAD techniques
- G06F2111/10—Numerical modelling
Landscapes
- Engineering & Computer Science (AREA)
- Theoretical Computer Science (AREA)
- Physics & Mathematics (AREA)
- Chemical & Material Sciences (AREA)
- Computing Systems (AREA)
- Computer Hardware Design (AREA)
- Bioinformatics & Cheminformatics (AREA)
- Bioinformatics & Computational Biology (AREA)
- Crystallography & Structural Chemistry (AREA)
- Chemical Kinetics & Catalysis (AREA)
- Analytical Chemistry (AREA)
- Life Sciences & Earth Sciences (AREA)
- Evolutionary Computation (AREA)
- Geometry (AREA)
- General Engineering & Computer Science (AREA)
- General Physics & Mathematics (AREA)
- Monitoring And Testing Of Nuclear Reactors (AREA)
- Management, Administration, Business Operations System, And Electronic Commerce (AREA)
Abstract
The invention discloses a zirconium-based alloy irradiation damage software simulation system and method based on cluster dynamics, which relate to the technical field of computer simulation, and the key points of the technical scheme are as follows: the cluster dynamic simulation system comprises a cluster dynamic simulation module, a calculation control module and a GUI module; the cluster dynamics simulation module comprises a mathematical model unit and a file generation unit; the calculation control module comprises a parallel processing unit, a real-time monitoring unit and a data processing unit; the GUI module comprises an input unit and a visualization unit. The method can not only study the process of forming the point defect cluster by the point defects generated by irradiation, but also simulate the influence of the defect trap on the cluster growth dynamics. The cluster dynamics model is integrated on a special platform, so that model establishment and calculation, data storage, data processing and result visualization are realized in the framework of the platform.
Description
Technical Field
The invention relates to the technical field of computer simulation, in particular to a zirconium-based alloy irradiation damage software simulation system and method based on cluster dynamics.
Background
One of the most effective methods for studying radiation damage to cladding materials is multi-scale numerical simulation. In the multi-scale model, the defect forming process and the change of physical and mechanical properties caused by the defects can be researched on different time and space scales. Compared with the corresponding experimental study of reactor irradiation, the method has lower cost. In the multi-scale simulation method, the cluster dynamics method can realize the simulation of the evolution of irradiation defects under irradiation, and the mesoscale method has more accurate description on small-size defect clusters than the average field rate method. The method mainly realizes numerical simulation by establishing a cluster dynamics model, and can obtain point defects and defect cluster distribution under the conditions of different temperatures, different irradiation doses and the like by using a first nature principle and a calculation result and experimental data of a molecular dynamics method as input parameters. Compared with other multi-scale methods, the method can calculate the concentration and size distribution of small-size defect clusters, and further predict the behaviors of dislocation loops and cavities.
In recent decades, there have been attempts worldwide to study the microstructural evolution of nuclear materials under neutron irradiation. At present, various foreign computing platforms are used for simulating the radiation damage of structural materials. Two main types of software are commonly used: SALOME and GRIZZLY. SALOME is a cross-platform application that can handle large numerical simulations. It is often used in the fields of nuclear reactor physics, structural mechanics, thermohydraulics, nuclear fuel physics, material science, geological and waste management simulations, electromagnetic and industrial radiation protection, and the like. Grizzly is a tool to simulate component aging and damage events in a reactor, and is a multi-physics simulation program. The device not only can simulate the microstructure evolution of the material fracture resistance under long-term irradiation and high temperature, but also can be used for describing the aging mechanism of the nuclear power station structure, system and component. The above platforms all incorporate the reaction rate theory as an independent tool into the multi-scale simulation process, but all have common problems: the method has the advantages of insufficient calculation precision, insufficient calculation speed and low interface friendliness, and is difficult for non-professionals to achieve zero threshold.
Therefore, how to research and design a zirconium-based alloy irradiation damage software simulation system and method based on cluster dynamics is a problem which is urgently needed to be solved at present.
Disclosure of Invention
In order to overcome the defects in the prior art, the invention aims to provide a zirconium-based alloy irradiation damage software simulation system and method based on cluster dynamics.
The technical purpose of the invention is realized by the following technical scheme:
in a first aspect, a zirconium-based alloy irradiation damage software simulation system based on cluster dynamics is provided, and comprises a cluster dynamics simulation module, a calculation control module and a GUI module; the cluster dynamics simulation module comprises a mathematical model unit and a file generation unit; the calculation control module comprises a parallel processing unit, a real-time monitoring unit and a data processing unit; the GUI module comprises an input unit and a visualization unit;
an input unit for creating at least one calculation item according to the input simulation parameters;
the mathematical model unit is used for calling a pre-stored mathematical model according to the calculation items and then calculating to obtain evolution data of the defect cluster concentration in the zirconium-based alloy along with time under different alloy element contents, grain sizes, temperatures and irradiation dose rates under neutron irradiation;
a file generation unit for generating at least one executable file according to the evolution data;
the parallel processing unit is used for calling a plurality of computing resources according to the number of the executable files to complete synchronization of different executable files and carry out irradiation damage simulation calculation to obtain a simulation result;
the real-time monitoring unit is used for acquiring simulation data in the simulation result and automatically drawing a data graph corresponding to the calculation items one by one according to the simulation data so as to monitor the calculation process in real time;
the data processing unit is used for screening all the simulation results according to the input configuration parameters to obtain screening data, and obtaining the change rule data of the screening data along with the temperature, the dosage rate and the content of the alloy elements through data processing;
and the visualization unit is used for displaying the change rule data after the change rule data are visually edited.
Further, the mathematical model unit includes:
the database stores parameter information required in the irradiation damage simulation process;
the function unit stores function information required in the irradiation damage simulation process;
and the calling unit is used for calling corresponding parameter information from the database according to the calculation items and calling corresponding function information from the function unit to carry out evolution of the defect cluster concentration in the zirconium-based alloy along with time under different alloy element contents, grain sizes, temperatures and irradiation dose rates under neutron irradiation so as to obtain evolution data.
Furthermore, the parallel processing unit divides the calculation structures by introducing users, projects and tasks, each calculation structure outputs one type of data, and the multiple types of data form a simulation result.
Further, the monitoring process of the real-time monitoring unit specifically includes:
analyzing output data of all the computing structures and outputting obtained results to an output folder;
the output file obtains the stored data from the analysis results of all the calculation items, analyzes the stored data, and stores the text information in the form of ASCII code in the output file, and the graphic application program automatically draws a data graph by accessing and processing the output file.
Further, the output file contains the following information:
dose dependence of individual interstitial, vacancy and trapped vacancy concentrations;
dose dependence of interstitial cluster concentration with defect number between 2-Nmax;
the dose dependence of vacancy cluster concentration with defect number between 2-Nmax.
Further, the input unit is configured with functions of authenticating a user name, creating a new item, starting calculation, deleting an item, and performing analysis.
In a second aspect, a cluster dynamics-based zirconium-based alloy irradiation damage software simulation method is provided, which comprises the following steps:
creating at least one calculation item according to the input simulation parameters;
calling a pre-stored mathematical model according to the calculation items, and calculating to obtain evolution data of the defect cluster concentration in the zirconium-based alloy along with time under different alloying element contents, grain sizes, temperatures and irradiation dose rates under neutron irradiation;
generating at least one executable file from the evolution data;
calling a plurality of computing resources according to the number of the executable files to complete synchronization of different executable files and perform irradiation damage simulation calculation to obtain a simulation result;
acquiring simulation data in a simulation result, and automatically drawing a data graph corresponding to the calculation items one by one according to the simulation data so as to monitor the calculation process in real time;
screening all simulation results according to input configuration parameters to obtain screening data, and obtaining the change rule data of the screening data along with the temperature, the dosage rate and the content of alloy elements through data processing;
and displaying the change rule data after the change rule data are visually edited.
Further, the simulation calculation process is configured with a DB database file, an HDR declaration file, an LIB library file, an OBJ folder, and an SRC function folder;
the DB database file contains material parameters used in the simulation calculation of the zirconium alloy irradiation defects;
the HDR declaration file is used to declare functions used in the program.
The LIB library file contains common mathematical functions used in the simulation and mathematical functions of the Runge-Kutta method used for the simulation;
the OBJ folder comprises a binary file created after the source file is compiled;
the SRC function folder contains the model functions used in the simulation.
Further, the specific process of the simulation calculation is as follows:
reading a database of the DB database file by calling a read _ data.cpp \ rd _ DB _ all.cpp function;
reading parameters input by a user by calling an id _ struct.cpp function;
creating a folder for storing output data by calling an mk _ fname.cpp function;
cpp assigns an internal variable of the RRT-project by calling set _ par;
assigning values for the initial number density and the initial size of the defective cluster of the point defect by calling an int _ data.cpp function;
respectively calculating point defects and defect cluster distribution by calling a calc _ rrt.cpp function and applying a rate theory method, and obtaining irradiation growth and irradiation hardening degrees;
cpp function outputs all calculation data to a file of a specified name by calling print _ info.
Furthermore, the DB database file, the HDR declaration file, the LIB library file, the OBJ folder and the SRC function folder are all made in a C + + language writing mode.
Compared with the prior art, the invention has the following beneficial effects:
the zirconium-based alloy irradiation damage software simulation system and method based on cluster dynamics provided by the invention can not only study the process of forming point defect clusters by point defects generated by irradiation, but also simulate the influence of defect traps on cluster growth dynamics. The cluster dynamics model is integrated on a special platform, so that model establishment and calculation, data storage, data processing and result visualization are realized in the framework of the platform. The platform can be used for simulating the evolution of a defect structure and the dynamics of defect clusters under different irradiation conditions, calculating the growth of small-size gap clusters and vacancy clusters, the growth of cavities, the absorption of defect clusters and the like, and intelligently acquiring the relation between parameters such as cluster growth speed and the like in the zirconium-based alloy under neutron irradiation and the content of alloy elements, the size of crystal grains, the temperature and the irradiation dose rate through a graphical interface, so that the behavior of small-size irradiation defects under low dose is predicted, and the obtained database can be used for optimizing the physical and mechanical properties of the alloy used as a fuel cladding or a structural material.
Drawings
The accompanying drawings, which are included to provide a further understanding of the embodiments of the invention and are incorporated in and constitute a part of this application, illustrate embodiment(s) of the invention and together with the description serve to explain the principles of the invention. In the drawings:
FIG. 1 is a block diagram of a system in an embodiment of the invention;
fig. 2 is a flow chart of the operation in the embodiment of the present invention.
Detailed Description
In order to make the objects, technical solutions and advantages of the present invention more apparent, the present invention will be further described in detail with reference to the following examples and accompanying fig. 1-2, wherein the exemplary embodiments and descriptions of the present invention are only used for explaining the present invention and are not used as limitations of the present invention.
Example 1: the zirconium-based alloy irradiation damage software simulation system based on cluster dynamics comprises a cluster dynamics simulation module, a calculation control module and a GUI module, as shown in FIG. 1. The cluster dynamics simulation module comprises a mathematical model unit and a file generation unit. The calculation control module comprises a parallel processing unit, a real-time monitoring unit and a data processing unit; the GUI module comprises an input unit and a visualization unit. And the input unit is used for creating at least one calculation item according to the input simulation parameters. And the mathematical model unit is used for calling a pre-stored mathematical model according to the calculation items and then calculating to obtain evolution data of the defect cluster concentration in the zirconium-based alloy along with time under different alloy element contents, grain sizes, temperatures and irradiation dose rates under neutron irradiation. And the file generation unit is used for generating at least one executable file according to the evolution data. And the parallel processing unit is used for calling a plurality of computing resources according to the number of the executable files to complete synchronous irradiation damage simulation calculation of different executable files so as to obtain a simulation result. And the real-time monitoring unit is used for acquiring the simulation data in the simulation result and automatically drawing a data graph corresponding to the calculation items one by one according to the simulation data so as to monitor the calculation process in real time. And the data processing unit is used for screening all the simulation results according to the input configuration parameters to obtain screening data, and obtaining the change rule data of the screening data along with the temperature, the dosage rate and the content of the alloy elements through data processing. And the visualization unit is used for displaying the change rule data after the change rule data are visually edited.
The mathematical model unit comprises a database, a function unit and a calling unit. And the database stores parameter information required in the irradiation damage simulation process. And the function unit stores function information required in the irradiation damage simulation process. And the calling unit is used for calling corresponding parameter information from the database according to the calculation items and calling corresponding function information from the function unit to carry out evolution of the defect cluster concentration in the zirconium-based alloy along with time under different alloy element contents, grain sizes, temperatures and irradiation dose rates under neutron irradiation so as to obtain evolution data.
The parallel processing unit divides the calculation structures by introducing users, projects and tasks, each calculation structure outputs one type of data, and the multiple types of data form a simulation result.
The monitoring process of the real-time monitoring unit is specifically as follows: analyzing output data of all the computing structures and outputting obtained results to an output folder; the output file obtains the stored data from the analysis results of all the calculation items, analyzes the stored data, and stores the text information in the form of ASCII code in the output file, and the graphic application program automatically draws a data graph by accessing and processing the output file.
The output file contains the following information: dose dependence of individual interstitial, vacancy and trapped vacancy concentrations; dose dependence of interstitial cluster concentration with defect number between 2-Nmax; the dose dependence of vacancy cluster concentration with defect number between 2-Nmax.
In the present embodiment, the input unit is configured with functions of authenticating a user name, creating a new item, starting calculation, deleting an item, and performing analysis.
Example 2: the simulation method of the zirconium-based alloy irradiation damage software based on cluster dynamics, as shown in fig. 2, comprises the following steps: creating at least one calculation item according to the input simulation parameters; calling a pre-stored mathematical model according to the calculation items, and calculating to obtain evolution data of the defect cluster concentration in the zirconium-based alloy along with time under different alloying element contents, grain sizes, temperatures and irradiation dose rates under neutron irradiation; generating at least one executable file from the evolution data; calling a plurality of computing resources according to the number of the executable files to complete synchronization of different executable files and perform irradiation damage simulation calculation to obtain a simulation result; acquiring simulation data in a simulation result, and automatically drawing a data graph corresponding to the calculation items one by one according to the simulation data so as to monitor the calculation process in real time; screening all simulation results according to input configuration parameters to obtain screening data, and obtaining the change rule data of the screening data along with the temperature, the dosage rate and the content of alloy elements through data processing; and displaying the change rule data after the change rule data are visually edited.
For example, a user enters a username and password login after registering. A user inputs parameters such as simulation parameter temperature, grain size and alloy element concentration, then the software automatically generates a calculation item, and when the item starts to run, the software automatically calls a runRRT. Next, software analyzes and screens data to obtain the relationship between cluster distribution in the zirconium-based alloy under neutron irradiation and parameters such as alloying element content, grain size, temperature, irradiation dose rate and the like. If the user finds the data reasonable, the simulated data can be exported for use. If the data is unreasonable, one task in the project can be selected, the subtask data image can be drawn to check the data, if the subtask data is reasonable, the simulation parameters can be continuously changed to generate another calculation project, the data is obtained after operation, the rule is analyzed, and if the data is still unreasonable, the physical model needs to be optimized. If the data is reasonable, the data can be exported and the next calculation is continued.
The simulation calculation process is configured with a DB database file, an HDR declaration file, an LIB library file, an OBJ folder and an SRC function folder.
The DB database file contains the material parameters used in the simulation calculation of the irradiation defects of zirconium alloy. If db _ zr.txt contains the material constant for pure zirconium, db _ differentials _ zr.txt contains the diffusion coefficient for defects in pure zirconium, db _ nb.txt contains the material constant for pure niobium, db _ differentials _ nb.txt contains the diffusion coefficient for defects in pure niobium, db _ Zr-nb.txt contains the material constant for zirconium niobium alloy, db _ Zr-sn.txt contains the material constant for zirconium tin alloy, db _ bias.txt contains the bias factor for point defect absorption point defects.
The HDR declaration file is used to declare functions used in the program.
The LIB library file contains the usual mathematical functions used in the simulation as well as the mathematical functions of the Runge-Kutta method used for the simulation. For example, math f.h contains a statement of the mathematical function used in the simulation, math f.cpp contains the mathematical function used in the simulation, rk456meth.h contains a statement of the mathematical function of the Runge-Kutta method used in the simulation, and rk456 meth.cpp contains the mathematical function of the Runge-Kutta method used in the simulation.
The OBJ folder contains the binary file created after the source file is compiled.
The SRC function folder contains the model functions used in the simulation. The read _ data.cpp \ rd _ DB _ all.cpp function is used for reading a database of the DB folder, and the id _ struct.cpp function is used for reading parameters input by a user and generating an input file input cldn.txt. The mk _ fname.cpp function is used for creating a folder for storing output data, the set _ par.cpp function is used for assigning internal variables, the int _ data.cpp function is used for assigning initial number density of point defects, initial sizes of defective clusters and the like, the calc _ rrt.cpp function calculates point defects and defective cluster distribution respectively by using a rate theory method and obtains irradiation growth, irradiation hardening degree and the like, and the print _ info.cpp function can output all calculated data to a file with a specified name.
The specific process of the simulation calculation is as follows: reading a database of the DB database file by calling a read _ data.cpp \ rd _ DB _ all.cpp function; reading parameters input by a user by calling an id _ struct.cpp function; creating a folder for storing output data by calling an mk _ fname.cpp function; cpp assigns an internal variable of the RRT-project by calling set _ par; assigning values for the initial number density and the initial size of the defective cluster of the point defect by calling an int _ data.cpp function; respectively calculating the distribution of point defects and defect clusters by calling a calc _ rrt.cpp function and applying a rate theory method, and obtaining the irradiation growth and irradiation hardening degrees; cpp function outputs all calculation data to a file of a specified name by calling print _ info.
All simulation calculations are stored in the dat file in the output folder. And identifying the content contained in the output file according to the prefix of the file name. As shown in table 1.
Table 1 output file prefix specification
The DB database file, the HDR declaration file, the LIB library file, the OBJ folder and the SRC function folder are all made in a C + + language writing mode.
The invention mainly aims to develop zirconium-based alloy irradiation effect simulation software based on a cluster dynamics method, and research the forming stage of defective clusters in zirconium-based alloy under neutron irradiation at low dose (<0.1 dpa). The cluster dynamic model is integrated on a special platform, so that model building and calculation, data storage, data processing and calculation result visualization are realized in one platform. The software can be used for simulating the evolution of a defect structure and the dynamics of a defect cluster under different irradiation conditions, calculating the growth of small-size gap groups and vacancy groups, the growth of cavities, the absorption of the defect cluster and the like, and intelligently acquiring the relation between parameters such as cluster growth speed and the like in the zirconium-based alloy under neutron irradiation and the content of alloy elements, the size of crystal grains, the temperature and the irradiation dose rate through a graphical interface, so that the behavior of the small-size irradiation defect cluster under low dose is predicted, and the obtained database can be used for optimizing the physical and mechanical properties of the alloy used as a reactor cladding fuel or a structural material.
As will be appreciated by one skilled in the art, embodiments of the present application may be provided as a method, system, or computer program product. Accordingly, the present application may take the form of an entirely hardware embodiment, an entirely software embodiment or an embodiment combining software and hardware aspects. Furthermore, the present application may take the form of a computer program product embodied on one or more computer-usable storage media (including, but not limited to, disk storage, CD-ROM, optical storage, and the like) having computer-usable program code embodied therein.
The present application is described with reference to flowchart illustrations and/or block diagrams of methods, apparatus (systems), and computer program products according to embodiments of the application. It will be understood that each flow and/or block of the flow diagrams and/or block diagrams, and combinations of flows and/or blocks in the flow diagrams and/or block diagrams, can be implemented by computer program instructions. These computer program instructions may be provided to a processor of a general purpose computer, special purpose computer, embedded processor, or other programmable data processing apparatus to produce a machine, such that the instructions, which execute via the processor of the computer or other programmable data processing apparatus, create means for implementing the functions specified in the flowchart flow or flows and/or block diagram block or blocks.
These computer program instructions may also be stored in a computer-readable memory that can direct a computer or other programmable data processing apparatus to function in a particular manner, such that the instructions stored in the computer-readable memory produce an article of manufacture including instruction means which implement the function specified in the flowchart flow or flows and/or block diagram block or blocks.
These computer program instructions may also be loaded onto a computer or other programmable data processing apparatus to cause a series of operational steps to be performed on the computer or other programmable apparatus to produce a computer implemented process such that the instructions which execute on the computer or other programmable apparatus provide steps for implementing the functions specified in the flowchart flow or flows and/or block diagram block or blocks.
The above embodiments are provided to further explain the objects, technical solutions and advantages of the present invention in detail, it should be understood that the above embodiments are merely exemplary embodiments of the present invention and are not intended to limit the scope of the present invention, and any modifications, equivalents, improvements and the like made within the spirit and principle of the present invention should be included in the scope of the present invention.
Claims (10)
1. The zirconium-based alloy irradiation damage software simulation system based on cluster dynamics is characterized by comprising a cluster dynamics simulation module, a calculation control module and a GUI (graphical user interface) module; the cluster dynamics simulation module comprises a mathematical model unit and a file generation unit; the calculation control module comprises a parallel processing unit, a real-time monitoring unit and a data processing unit; the GUI module comprises an input unit and a visualization unit;
an input unit for creating at least one calculation item according to the input simulation parameters;
the mathematical model unit is used for calling a pre-stored mathematical model according to the calculation items and then calculating to obtain evolution data of the defect cluster concentration in the zirconium-based alloy along with time under different alloy element contents, grain sizes, temperatures and irradiation dose rates under neutron irradiation;
a file generation unit for generating at least one executable file according to the evolution data;
the parallel processing unit is used for calling a plurality of computing resources according to the number of the executable files to complete synchronous irradiation damage simulation calculation of different executable files so as to obtain a simulation result; the simulation results comprise calculation of growth of small-size interstitial groups and vacancy groups, growth of voids, and absorption of defect clusters;
the real-time monitoring unit is used for acquiring simulation data in the simulation result and automatically drawing a data graph corresponding to the calculation items one by one according to the simulation data so as to monitor the calculation process in real time;
the data processing unit is used for screening all the simulation results according to the input configuration parameters to obtain screening data, and obtaining the change rule data of the screening data along with the temperature, the irradiation dose rate and the content of the alloy elements through data processing;
and the visualization unit is used for displaying the change rule data after the change rule data are visually edited.
2. The cluster dynamics-based zirconium based alloy irradiation damage software simulation system of claim 1, wherein the mathematical model unit comprises:
the database stores parameter information required in the irradiation damage simulation process;
the function unit stores function information required in the irradiation damage simulation process;
and the calling unit is used for calling corresponding parameter information from the database according to the calculation items and calling corresponding function information from the function unit to carry out evolution of the defect cluster concentration in the zirconium-based alloy along with time under different alloy element contents, grain sizes, temperatures and irradiation dose rates under neutron irradiation so as to obtain evolution data.
3. The cluster dynamics-based zirconium-based alloy irradiation damage software simulation system of claim 1, wherein the parallel processing unit divides the calculation structures by introducing users, projects and tasks, each calculation structure outputs one type of data, and the plurality of types of data form a simulation result.
4. The cluster-dynamics-based zirconium-based alloy radiation damage software simulation system of claim 1, wherein the monitoring process of the real-time monitoring unit specifically comprises:
analyzing the output data of all the calculation structures and outputting the obtained results to an output folder;
the output file obtains the stored data from the analysis results of all the calculation items, analyzes the stored data, and stores the text information in the form of ASCII code in the output file, and the graphic application program automatically draws a data graph by accessing and processing the output file.
5. The cluster-dynamics-based zirconium-based alloy radiation damage software simulation system of claim 4, wherein the output file contains the following information:
dose dependence of individual interstitial, vacancy and trapped vacancy concentrations;
dose dependence of interstitial cluster concentration with defect number between 2-Nmax;
the dose dependence of vacancy cluster concentration with defect number between 2-Nmax.
6. The cluster-dynamics-based zirconium-based alloy radiation damage software simulation system of claim 1, wherein the input unit is configured with functions of verifying user names, creating new items, starting calculations, deleting items, performing analysis.
7. The zirconium-based alloy irradiation damage software simulation method based on cluster dynamics is characterized by comprising the following steps of:
creating at least one calculation item according to the input simulation parameters;
calling a pre-stored mathematical model according to the calculation items, and calculating to obtain evolution data of the defect cluster concentration in the zirconium-based alloy along with time under different alloying element contents, grain sizes, temperatures and irradiation dose rates under neutron irradiation;
generating at least one executable file from the evolution data;
calling a plurality of computing resources according to the number of the executable files to complete synchronization of different executable files and perform irradiation damage simulation calculation to obtain a simulation result; the simulation result comprises the calculation of the growth of small-size interstitial groups and vacancy groups, the growth of cavities and the absorption of defect clusters;
acquiring simulation data in a simulation result, and automatically drawing a data graph corresponding to the calculation items one by one according to the simulation data so as to monitor the calculation process in real time;
screening all simulation results according to input configuration parameters to obtain screening data, and obtaining the data of the variation rule of the screening data along with the temperature, the irradiation dose rate and the content of the alloy elements through data processing;
and displaying the change rule data after the change rule data are visually edited.
8. The cluster dynamics-based zirconium-based alloy irradiation damage software simulation method of claim 7, wherein the simulation computation process is configured with a DB database file, an HDR declaration file, an LIB library file, an OBJ folder, and an SRC function folder;
the DB database file contains material parameters used in the simulation calculation of the zirconium alloy irradiation defects;
the HDR declaration file is used to declare functions used in the program;
the LIB library file contains common mathematical functions used in the simulation and mathematical functions of the Runge-Kutta method used for the simulation;
the OBJ folder comprises a binary file created after the source file is compiled;
the SRC function folder contains the model functions used in the simulation.
9. The software simulation method for radiation damage of zirconium based alloy based on cluster dynamics as claimed in claim 8, wherein the specific process of simulation calculation is as follows:
reading a database of the DB database file by calling a read _ data.cpp \ rd _ DB _ all.cpp function;
reading parameters input by a user by calling an id _ struct.cpp function;
creating a folder for storing output data by calling an mk _ fname.cpp function;
assigning an internal variable of the rate theoretical calculation module by calling a set _ par.cpp function;
assigning values for the initial number density and the initial size of the defective cluster of the point defect by calling an int _ data.cpp function;
respectively calculating the distribution of point defects and defect clusters by calling a calc _ rrt.cpp function and applying a rate theory method, and obtaining the irradiation growth and irradiation hardening degrees;
cpp function outputs all calculation data to a file of a specified name by calling print _ info.
10. The cluster dynamics-based zirconium-based alloy irradiation damage software simulation method of claim 8, wherein the DB database file, the HDR declaration file, the LIB library file, the OBJ folder, and the SRC function folder are written in C + + language.
Priority Applications (1)
| Application Number | Priority Date | Filing Date | Title |
|---|---|---|---|
| CN202110348089.0A CN113076640B (en) | 2021-03-31 | 2021-03-31 | Zirconium-based alloy irradiation damage software simulation system and method based on cluster dynamics |
Applications Claiming Priority (1)
| Application Number | Priority Date | Filing Date | Title |
|---|---|---|---|
| CN202110348089.0A CN113076640B (en) | 2021-03-31 | 2021-03-31 | Zirconium-based alloy irradiation damage software simulation system and method based on cluster dynamics |
Publications (2)
| Publication Number | Publication Date |
|---|---|
| CN113076640A CN113076640A (en) | 2021-07-06 |
| CN113076640B true CN113076640B (en) | 2022-06-10 |
Family
ID=76614716
Family Applications (1)
| Application Number | Title | Priority Date | Filing Date |
|---|---|---|---|
| CN202110348089.0A Active CN113076640B (en) | 2021-03-31 | 2021-03-31 | Zirconium-based alloy irradiation damage software simulation system and method based on cluster dynamics |
Country Status (1)
| Country | Link |
|---|---|
| CN (1) | CN113076640B (en) |
Families Citing this family (1)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN116467894A (en) * | 2023-05-16 | 2023-07-21 | 郑州大学 | Irradiation damage simulation system and method based on machine learning molecular dynamics |
Citations (6)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN103898366A (en) * | 2012-12-27 | 2014-07-02 | 中国核动力研究设计院 | Zirconium-based alloy for nuclear reactor fuel assembly |
| CN106835067A (en) * | 2017-01-14 | 2017-06-13 | 太原理工大学 | A kind of method of Zr alloy surface Graphene Passivation Treatment corrosion-inhibiting coating |
| CN112199855A (en) * | 2020-10-23 | 2021-01-08 | 中国核动力研究设计院 | Dynamic generation method, device, equipment and medium for thermal hydraulic simulation software |
| CN112365099A (en) * | 2020-12-08 | 2021-02-12 | 南京大学 | Web server cluster expansion method based on non-deterministic separation |
| CN112490127A (en) * | 2020-11-26 | 2021-03-12 | 江苏集创原子团簇科技研究院有限公司 | Method for correcting etching rate of material layer by using charged particles |
| CN112507539A (en) * | 2020-11-30 | 2021-03-16 | 中国核动力研究设计院 | Dynamic simulation method and model system for dislocation loop radius in zirconium-based alloy under irradiation |
Family Cites Families (1)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN111814315B (en) * | 2020-06-17 | 2024-02-20 | 中国科学院合肥物质科学研究院 | Method for calculating dynamics properties of defective clusters in metal material |
-
2021
- 2021-03-31 CN CN202110348089.0A patent/CN113076640B/en active Active
Patent Citations (6)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN103898366A (en) * | 2012-12-27 | 2014-07-02 | 中国核动力研究设计院 | Zirconium-based alloy for nuclear reactor fuel assembly |
| CN106835067A (en) * | 2017-01-14 | 2017-06-13 | 太原理工大学 | A kind of method of Zr alloy surface Graphene Passivation Treatment corrosion-inhibiting coating |
| CN112199855A (en) * | 2020-10-23 | 2021-01-08 | 中国核动力研究设计院 | Dynamic generation method, device, equipment and medium for thermal hydraulic simulation software |
| CN112490127A (en) * | 2020-11-26 | 2021-03-12 | 江苏集创原子团簇科技研究院有限公司 | Method for correcting etching rate of material layer by using charged particles |
| CN112507539A (en) * | 2020-11-30 | 2021-03-16 | 中国核动力研究设计院 | Dynamic simulation method and model system for dislocation loop radius in zirconium-based alloy under irradiation |
| CN112365099A (en) * | 2020-12-08 | 2021-02-12 | 南京大学 | Web server cluster expansion method based on non-deterministic separation |
Non-Patent Citations (4)
| Title |
|---|
| "Point defects patterning in inradiated α-zirconium: numeriacal study in the framework of the rate theory";Dmitrii O. Kharchenko .etc;《Radiation Effects and Defects in Solids》;20180612;第173卷;1-28 * |
| "中子辐照对锆合金显微组织的影响研究进展";吴璐等;《重庆大学学报》;20170430;第40卷(第4期);24-34 * |
| "基于团簇动力学的低铜RPV用钢辐照产生析出相数值模拟研究";王晓童等;《核动力工程》;20200831;第41卷(第S1期);188-193 * |
| "核材料中子辐照损伤的团簇动力学模拟综述";郑淇蓉等;《原子能科学技术》;20210131;第55卷(第1期);76-86 * |
Also Published As
| Publication number | Publication date |
|---|---|
| CN113076640A (en) | 2021-07-06 |
Similar Documents
| Publication | Publication Date | Title |
|---|---|---|
| Anand et al. | A comparative analysis of optimization solvers | |
| Ferasat et al. | Accelerated kinetic Monte Carlo: A case study; vacancy and dumbbell interstitial diffusion traps in concentrated solid solution alloys | |
| Barnat et al. | High-performance analysis of biological systems dynamics with the DiVinE model checker | |
| CN111125949A (en) | Large-scale parallel meshing system and method for finite element analysis | |
| CN113076640B (en) | Zirconium-based alloy irradiation damage software simulation system and method based on cluster dynamics | |
| Slaughter et al. | MOOSE Stochastic Tools: A module for performing parallel, memory-efficient in situ stochastic simulations | |
| US11409923B1 (en) | Systems and methods for generating reduced order models | |
| Dinh | CIPS validation data plan | |
| Polo-Labarrios et al. | Numerical-analytical solutions of the fractional point kinetic model with Caputo derivatives | |
| Huang et al. | Nuclear data uncertainty propagation and modeling uncertainty impact evaluation in neutronics core simulation | |
| Hyman | Patch dynamics for multiscale problems | |
| Russell | Simulation of time-dependent neutron populations for reactor physics applications using the geant4 monte carlo toolkit | |
| McClung et al. | An integrated software tool for high fidelity probabilistic assessments of metallic aero-engine components | |
| Ostashev | Automated verification of information models for capital construction projects to mitigate environmental impact | |
| Yazgan | HL-LHC Computing Review Stage-2, Common Software Projects: Event Generators | |
| CN111599421A (en) | Full-automatic phonon spectrum calculation method and system based on high-flux material calculation | |
| Antolin et al. | Calculation of reactivity in subcritical reactors using the method of partial derivatives | |
| Vesely et al. | Evaluations and utilizations of risk importances | |
| Spencer et al. | Summary of structural material modeling development for the NEAMS program in fiscal year 2020 | |
| Agarwal et al. | Reveal: An extensible reduced-order model builder for simulation and modeling | |
| Stitt et al. | Performance Portable Graphics Processing Unit Acceleration of a High-Order Finite Element Multiphysics Application | |
| Prince et al. | Moose stochastic tools: A module for performing parallel, memory-efficient in situ stochastic simulations | |
| Michel et al. | ComPWA: A common amplitude analysis framework for PANDA | |
| Bánáti et al. | Evaluating the average reproducibility cost of the scientific workflows | |
| Evans et al. | ACME Priority Metrics (A-PRIME) |
Legal Events
| Date | Code | Title | Description |
|---|---|---|---|
| PB01 | Publication | ||
| PB01 | Publication | ||
| SE01 | Entry into force of request for substantive examination | ||
| SE01 | Entry into force of request for substantive examination | ||
| GR01 | Patent grant | ||
| GR01 | Patent grant |