CN112885414A - Irradiation damage simulation system and method based on rate theory and cluster dynamics - Google Patents
Irradiation damage simulation system and method based on rate theory and cluster dynamics Download PDFInfo
- Publication number
- CN112885414A CN112885414A CN202110348121.5A CN202110348121A CN112885414A CN 112885414 A CN112885414 A CN 112885414A CN 202110348121 A CN202110348121 A CN 202110348121A CN 112885414 A CN112885414 A CN 112885414A
- Authority
- CN
- China
- Prior art keywords
- module
- cluster
- rate
- rate theory
- dynamics
- 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.)
- Granted
Links
- 238000000034 method Methods 0.000 title claims abstract description 55
- 238000004088 simulation Methods 0.000 title claims abstract description 53
- 238000004364 calculation method Methods 0.000 claims abstract description 62
- 230000007547 defect Effects 0.000 claims abstract description 42
- 229910045601 alloy Inorganic materials 0.000 claims abstract description 14
- 239000000956 alloy Substances 0.000 claims abstract description 14
- 230000008569 process Effects 0.000 claims abstract description 13
- 230000004044 response Effects 0.000 claims abstract description 7
- 238000013500 data storage Methods 0.000 claims description 12
- 238000012544 monitoring process Methods 0.000 claims description 9
- 238000004458 analytical method Methods 0.000 claims description 6
- 230000001186 cumulative effect Effects 0.000 claims description 6
- 230000002950 deficient Effects 0.000 claims description 6
- 239000013078 crystal Substances 0.000 claims description 5
- 238000009826 distribution Methods 0.000 claims description 5
- 230000015572 biosynthetic process Effects 0.000 claims description 4
- 238000012795 verification Methods 0.000 claims description 4
- 230000002457 bidirectional effect Effects 0.000 claims description 3
- 238000013079 data visualisation Methods 0.000 claims description 3
- 230000000007 visual effect Effects 0.000 claims description 3
- QCWXUUIWCKQGHC-UHFFFAOYSA-N Zirconium Chemical compound [Zr] QCWXUUIWCKQGHC-UHFFFAOYSA-N 0.000 abstract description 4
- 229910052726 zirconium Inorganic materials 0.000 abstract description 4
- 238000011161 development Methods 0.000 abstract description 3
- 238000005094 computer simulation Methods 0.000 abstract description 2
- 230000006870 function Effects 0.000 description 10
- 238000010586 diagram Methods 0.000 description 9
- 238000004590 computer program Methods 0.000 description 7
- 238000011160 research Methods 0.000 description 6
- 229910001093 Zr alloy Inorganic materials 0.000 description 5
- 238000006243 chemical reaction Methods 0.000 description 4
- 238000012545 processing Methods 0.000 description 4
- 238000005516 engineering process Methods 0.000 description 3
- 238000002474 experimental method Methods 0.000 description 3
- 230000005855 radiation Effects 0.000 description 3
- 238000003860 storage Methods 0.000 description 3
- 230000006399 behavior Effects 0.000 description 2
- 239000000463 material Substances 0.000 description 2
- 239000010955 niobium Substances 0.000 description 2
- 229910000967 As alloy Inorganic materials 0.000 description 1
- ATJFFYVFTNAWJD-UHFFFAOYSA-N Tin Chemical compound [Sn] ATJFFYVFTNAWJD-UHFFFAOYSA-N 0.000 description 1
- 230000009286 beneficial effect Effects 0.000 description 1
- 238000005253 cladding Methods 0.000 description 1
- 230000008878 coupling Effects 0.000 description 1
- 238000010168 coupling process Methods 0.000 description 1
- 238000005859 coupling reaction Methods 0.000 description 1
- 238000013461 design Methods 0.000 description 1
- 230000009977 dual effect Effects 0.000 description 1
- 230000000694 effects Effects 0.000 description 1
- 230000003993 interaction Effects 0.000 description 1
- 238000004519 manufacturing process Methods 0.000 description 1
- 239000011159 matrix material Substances 0.000 description 1
- 238000012986 modification Methods 0.000 description 1
- 230000004048 modification Effects 0.000 description 1
- 229910052758 niobium Inorganic materials 0.000 description 1
- GUCVJGMIXFAOAE-UHFFFAOYSA-N niobium atom Chemical compound [Nb] GUCVJGMIXFAOAE-UHFFFAOYSA-N 0.000 description 1
- 230000003287 optical effect Effects 0.000 description 1
- 230000005501 phase interface Effects 0.000 description 1
- 238000005293 physical law Methods 0.000 description 1
- 238000001556 precipitation Methods 0.000 description 1
- 238000005510 radiation hardening Methods 0.000 description 1
- 239000011257 shell material Substances 0.000 description 1
Images
Classifications
-
- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
- G16C10/00—Computational theoretical chemistry, i.e. ICT specially adapted for theoretical aspects of quantum chemistry, molecular mechanics, molecular dynamics or the like
-
- 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
-
- Y—GENERAL TAGGING OF NEW TECHNOLOGICAL DEVELOPMENTS; GENERAL TAGGING OF CROSS-SECTIONAL TECHNOLOGIES SPANNING OVER SEVERAL SECTIONS OF THE IPC; TECHNICAL SUBJECTS COVERED BY FORMER USPC CROSS-REFERENCE ART COLLECTIONS [XRACs] AND DIGESTS
- Y02—TECHNOLOGIES OR APPLICATIONS FOR MITIGATION OR ADAPTATION AGAINST CLIMATE CHANGE
- Y02E—REDUCTION OF GREENHOUSE GAS [GHG] EMISSIONS, RELATED TO ENERGY GENERATION, TRANSMISSION OR DISTRIBUTION
- Y02E30/00—Energy generation of nuclear origin
- Y02E30/30—Nuclear fission reactors
Landscapes
- Engineering & Computer Science (AREA)
- Theoretical Computer Science (AREA)
- Computing Systems (AREA)
- Bioinformatics & Cheminformatics (AREA)
- Life Sciences & Earth Sciences (AREA)
- Chemical & Material Sciences (AREA)
- Bioinformatics & Computational Biology (AREA)
- Crystallography & Structural Chemistry (AREA)
- Chemical Kinetics & Catalysis (AREA)
- Analytical Chemistry (AREA)
- Physics & Mathematics (AREA)
- Health & Medical Sciences (AREA)
- General Health & Medical Sciences (AREA)
- Spectroscopy & Molecular Physics (AREA)
- Management, Administration, Business Operations System, And Electronic Commerce (AREA)
Abstract
The invention discloses an irradiation damage simulation system and method based on a rate theory and cluster dynamics, which relate to the technical field of computer simulation, and the key points of the technical scheme are as follows: the system comprises a core computing module, a control module, a webpage client and an API (application program interface); the webpage client accesses the application program function of the core computing module by using a JSON format protocol in a request/response mode through an API (application programming interface), and the control module controls the core computing module to perform simulation computation; the core calculation module comprises a cluster dynamics module, a rate theory module and a mode selection module. The method can realize the full-period simulation of the irradiation damage in the zirconium-based alloy at the initial and middle and later irradiation stages, thereby predicting the development of the defect structure and the stability of the defect cluster and creatively overcoming the problem that the two methods cannot be directly combined due to different simulation principle processes of the cluster dynamics and rate theory method.
Description
Technical Field
The invention relates to the technical field of computer simulation, in particular to an irradiation damage simulation system and method based on a rate theory and cluster dynamics.
Background
With the development of computer technology in recent years, numerical simulation is becoming more and more widely used as an important research means in material science research. The multi-scale numerical simulation method is used, and the numerical simulation is carried out by means of a high-performance computing system, so that the advantages of low experiment cost and controllable time are achieved, and the experiment conditions which cannot be achieved by the experiment or even if the required cost is extremely high can be achieved; the method has the defects that the model is difficult to establish, an experimental verification method of a calculation result is yet to be explored, and the problem of interfaces between numerical simulation methods with different scales is difficult to solve. A model is established by adopting a multi-scale multi-physical coupling numerical simulation technology, and the irradiation damage behavior of the zirconium alloy matrix and the cladding can be simulated from a plurality of scales of nano-scale, micro-scale, meso-scale and macro-scale.
At present, mesoscale numerical simulation research represented by a cluster dynamics method and reaction rate theoretical calculation is the key for developing multi-scale numerical simulation research of zirconium alloy irradiation damage behaviors. The cluster dynamics method is a numerical simulation method for calculating the evolution process of the irradiation defects by establishing a dynamics equation among clusters. The rate theory is a mesoscopic method based on quasi-chemical reactions between point defects, point defect clusters and point defect traps (dislocations, dislocation loops, grain boundaries, phase interfaces, free surfaces).
However, since the cluster dynamics consider each point defect in the material, the defective cluster, and a single defect in the cluster as entities, the distribution of small-sized defective clusters at the initial stage of irradiation can only be calculated, subject to the limitation of the amount of analog calculation. The velocity theory method uses the average field approximation, can calculate the distribution of the defect clusters under a longer time scale, and can also realize the simulation of the evolution of dislocation loops. Currently, a technology capable of calculating the radiation damage of the zirconium alloy by combining a reaction rate theory and a cluster dynamics method is not disclosed internationally. Therefore, how to research and design an irradiation damage simulation system and method based on the rate theory and 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 system and a method for simulating the irradiation damage based on the rate theory and cluster dynamics, and provide technical support for more comprehensively simulating each stage of the generation of the irradiation effect of the zirconium alloy.
The technical purpose of the invention is realized by the following technical scheme:
the first aspect provides an irradiation damage simulation system based on a rate theory and cluster dynamics, which comprises a core calculation module, a control module, a webpage client and an API (application program interface);
the webpage client accesses the application program function of the core computing module by using a JSON format protocol in a request/response mode through an API (application programming interface), and the control module controls the core computing module to perform simulation computation;
the core calculation module comprises a cluster dynamics module, a rate theory module and a mode selection module; wherein,
the cluster dynamics module is used for simulating the forming and growing stages of the point defect clusters by adopting a cluster dynamics method under low irradiation dose until dislocation loops are formed;
the rate theory module is used for simulating the growth stage of dislocation loops by adopting a rate theory method under high irradiation dose;
and the mode selection module is used for determining the irradiation dose according to the off-site damage rate and the accumulated dose, and selecting a cluster dynamics module or a rate theory calculation module for simulation according to the determination result.
Further, the determination of the irradiation dose level specifically includes: if the off-site damage rate is 10-6dpa/s, low dose when cumulative dose is less than 0.1dpa, high dose when cumulative dose is greater than 0.1 dpa.
Further, the speed theory calculating module takes the small-size defect cluster number density data in the database as input data during simulation.
Further, the speed theory calculation module uses the density of the small-sized defective cluster and the average cluster size data output by the cluster dynamics module as the input data of the speed theory calculation module during simulation.
Further, the calculation process of the cluster dynamics module includes:
analyzing the distribution of the defective clusters according to the size and the number of the defects;
analyzing the correlation between the average cluster size and the content, grain size, temperature and dosage rate of the alloy elements;
and analyzing the correlation of the average cluster growth speed with the content of the alloy elements, the grain size, the temperature and the dosage rate.
Further, the calculation process of the rate theory module includes:
the formation and growth rate analysis of gap-type and vacancy-type dislocation loops;
analysis of dislocation loop size, density and degree of hardening caused during irradiation;
and analyzing the correlation of the radius of the dislocation loop with the content of alloy elements, the size of crystal grains, the temperature and the dosage rate.
Further, the control module includes:
generating a computing task according to a group of input parameters, and controlling a plurality of computing tasks to run in parallel;
automatically analyzing the acquired data according to the calculation task to obtain the parameter correlation of the calculation data;
and exporting the output data to external drawing software after the output data visualization, monitoring and verification calculation process is realized by controlling and managing the calculation task.
Furthermore, the webpage client comprises a webpage interface, a cluster manager and a node client;
the webpage interface is used for pre-evaluating a real-time calculation result in a visual mode, analyzing output data by using a graphical interface and providing real-time calculation task state information;
the cluster manager is used for interacting with an application program of a webpage interface through HTTP-API, receiving and executing user tasks, providing real-time calculation task state and progress monitoring, maintaining a task historical database, and interacting with a node client through SSL protocol based on JSON;
and the node client is used for receiving and executing the calculation task, monitoring the state and the progress of the calculation task in real time, controlling the calculation task and sending real-time data to the cluster manager.
Further, the application program comprises a main node, a data storage node and a computing node;
the main node comprises shared software and a shared space, and interacts with the data storage node through an NFS protocol;
the data storage node interacts with the computing node through the NFS protocol;
the computing node comprises a computing task, shared software, a shared space and a node client, computing data obtained through simulation are stored in the data storage node, and the node client of the computing node and a manager of the main node interact through a bidirectional socks protocol.
In a second aspect, a method for simulating irradiation damage based on rate theory and cluster dynamics is provided, which comprises the following steps:
the webpage client accesses the application program function of the core computing module by using a JSON format protocol in a request/response mode through an API (application programming interface), and the control module controls the core computing module to perform simulation computation;
simulating the forming and growing stages of the point defect clusters by a cluster dynamics method under low irradiation dose through a cluster dynamics module until dislocation loops are formed;
simulating the growth stage of dislocation loops by adopting a rate theory method under high irradiation dose through a rate theory module;
and determining the irradiation dose according to the dislocation damage rate and the accumulated dose, and selecting a cluster dynamics module or a rate theory calculation module for simulation according to the determination result.
Compared with the prior art, the invention has the following beneficial effects:
the invention integrates two zirconium-based alloy irradiation damage methods based on a rate theory method and a cluster dynamics method into the same software, and can realize the full-period simulation of the irradiation damage in the zirconium-based alloy at the initial stage of irradiation and at the middle and later stages of irradiation, thereby predicting the development of a defect structure and the stability of a defect cluster and creatively overcoming the problem that the two methods cannot be directly combined due to different simulation principle processes of the cluster dynamics and rate theory method; in addition, the method can also research the influence of element content on cluster growth kinetics, dislocation loop growth kinetics, radiation hardening and radiation growth when tin and niobium are used as alloy element phases in the zirconium alloy, and provides a theoretical basis for developing the shell material with more radiation resistance in the future.
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 system architecture diagram in an embodiment of the present invention;
fig. 2 is a flow chart in an embodiment of the 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.
The cluster dynamics are based on the rate equations of point defect (vacancy, interstitial) concentration, trapped defect concentration, point defect cluster (vacancy cluster, interstitial cluster) concentration/size containing more than 2 defects, secondary precipitated phase concentration/size. The standard reaction rate theory is based on the following rate equation: point defect concentration, concentration of captured point defects, concentration of clusters of point defects, number of defects in a point defect cluster, dislocation loop number density, dislocation loop radius (in all crystal directions), irradiation growth (in all crystal directions), concentration/size of secondary precipitated phase. The calculation includes local interaction of the cluster and the defect trap, influence of temperature and alloy element content on defect concentration, influence of the defect trap on the defect concentration and influence of beta-Nb precipitation on dislocation ring growth.
Example 1: an irradiation damage simulation system based on a rate theory and cluster dynamics is shown in fig. 1 and comprises a core calculation module, a control module Console APP, a webpage client and an API interface. The Web GUI of the webpage client accesses the application program function of the core computing module by using a JSON format protocol in a request/response mode through an API interface, and the control module controls the core computing module to perform simulation computation.
The core calculation module comprises a cluster dynamics module CLDN, a rate theory module RRT and a mode selection module; the cluster dynamics module is used for simulating the formation and growth stages of the point defect clusters until the dislocation loops are formed by adopting a cluster dynamics method under low irradiation dose. And the rate theory module is used for simulating the growth stage of the dislocation loops by adopting a rate theory method under the high irradiation dose. And the mode selection module is used for determining the irradiation dose according to the off-site damage rate and the accumulated dose, and selecting a cluster dynamics module or a rate theory calculation module for simulation according to the determination result.
The determination of the irradiation dose is specifically as follows: if the off-site damage rate is 10-6dpa/s, low dose when cumulative dose is less than 0.1dpa, high dose when cumulative dose is greater than 0.1 dpa.
And when the speed theory calculation module is used for simulating, the number density data of small-size defect clusters in the database is used as input data, so that the physical laws of a defect cluster forming stage and a dislocation loop forming stage of the zirconium-based alloy seed under neutron irradiation can be explored more quickly and pertinently. The density and average cluster size data of the small-size defect clusters output by the cluster dynamics module can be used as input data of the rate theory calculation module during simulation of the rate theory calculation module, software universality and universality can be better realized, and under a specific irradiation condition, when the number density data of the small-size defect clusters in the database is incomplete, the mode can be selected for calculation.
The calculation process of the cluster dynamics module comprises the following steps: analyzing the distribution of the defective clusters according to the size and the number of the defects; analyzing the correlation between the average cluster size and the content, grain size, temperature and dosage rate of the alloy elements; and analyzing the correlation of the average cluster growth speed with the content of the alloy elements, the grain size, the temperature and the dosage rate.
The calculation process of the rate theory module comprises the following steps: the formation and growth rate analysis of gap-type and vacancy-type dislocation loops; analysis of dislocation loop size, density and degree of hardening caused during irradiation; and analyzing the correlation of the radius of the dislocation loop with the content of alloy elements, the size of crystal grains, the temperature and the dosage rate.
The control module includes: generating a computing task according to a group of input parameters, and controlling a plurality of computing tasks to run in parallel; automatically analyzing the acquired data according to the calculation task to obtain the parameter correlation of the calculation data; and exporting the output data to external drawing software after the output data visualization, monitoring and verification calculation process is realized by controlling and managing the calculation task. It should be noted that the console applications CLDN-con and RRT-con in the control module are both developed using the PERL language.
The webpage client comprises a webpage interface, a cluster manager and a node client; the webpage interface is used for pre-evaluating a real-time calculation result in a visual mode, analyzing output data by using a graphical interface and providing real-time calculation task state information; the cluster manager is used for interacting with an application program of a webpage interface through HTTP-API, receiving and executing user tasks, providing real-time calculation task state and progress monitoring, maintaining a task historical database, and interacting with a node client through SSL protocol based on JSON; and the node client is used for receiving and executing the calculation task, monitoring the state and the progress of the calculation task in real time, controlling the calculation task and sending real-time data to the cluster manager.
The application program comprises a main node, a data storage node and a computing node; the main node comprises shared software and a shared space, and interacts with the data storage node through an NFS protocol; the data storage node interacts with the computing node through the NFS protocol; the computing node comprises a computing task, shared software, a shared space and a node client, computing data obtained through simulation are stored in the data storage node, and the node client of the computing node and a manager of the main node interact through a bidirectional socks protocol. It should be noted that the master node and the computing node include shared software and shared space at the same time, because the shared software and the shared space have the dual functions of master node and computing node division, and the node client belongs to the computing node because the node client has the function of computing node division.
Example 2: the irradiation damage simulation method based on the rate theory and the cluster dynamics, as shown in fig. 2, includes the following steps:
s101: the webpage client accesses the application program function of the core computing module by using a JSON format protocol in a request/response mode through an API (application programming interface), and the control module controls the core computing module to perform simulation computation;
s102: simulating the forming and growing stages of the point defect clusters by a cluster dynamics method under low irradiation dose through a cluster dynamics module until dislocation loops are formed;
s103: simulating the growth stage of dislocation loops by adopting a rate theory method under high irradiation dose through a rate theory module;
s104: and determining the irradiation dose according to the dislocation damage rate and the accumulated dose, and selecting a cluster dynamics module or a rate theory calculation module for simulation according to the determination result.
The simulation system provided by the invention is R2T-REx software which can run under Windows and LINUX operating systems and has a shared NFS file system and a shared user directory.
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 irradiation damage simulation system based on the rate theory and the cluster dynamics is characterized by comprising a core calculation module, a control module, a webpage client and an API (application program interface);
the webpage client accesses the application program function of the core computing module by using a JSON format protocol in a request/response mode through an API (application programming interface), and the control module controls the core computing module to perform simulation computation;
the core calculation module comprises a cluster dynamics module, a rate theory module and a mode selection module; wherein,
the cluster dynamics module is used for simulating the forming and growing stages of the point defect clusters by adopting a cluster dynamics method under low irradiation dose until dislocation loops are formed;
the rate theory module is used for simulating the growth stage of dislocation loops by adopting a rate theory method under high irradiation dose;
and the mode selection module is used for determining the irradiation dose according to the off-site damage rate and the accumulated dose, and selecting a cluster dynamics module or a rate theory calculation module for simulation according to the determination result.
2. The irradiation damage simulation system based on the rate theory and the cluster dynamics as claimed in claim 1, wherein the determination of the irradiation dose level is specifically as follows: if the off-site damage rate is 10-6dpa/s, low dose when cumulative dose is less than 0.1dpa, high dose when cumulative dose is greater than 0.1 dpa.
3. The irradiation damage simulation system based on rate theory and cluster dynamics as claimed in claim 1, wherein the rate theory calculation module uses the small-sized defect cluster number density data in the database as input data during simulation.
4. The irradiation damage simulation system based on the rate theory and the cluster dynamics as claimed in claim 1, wherein the data of the concentration of the small-sized defect clusters and the average cluster size output by the cluster dynamics module are used as the input data of the rate theory calculation module during the simulation by the rate theory calculation module.
5. The irradiation damage simulation system based on rate theory and cluster dynamics as claimed in claim 1, wherein the calculation process of the cluster dynamics module comprises:
analyzing the distribution of the defective clusters according to the size and the number of the defects;
analyzing the correlation between the average cluster size and the content, grain size, temperature and dosage rate of the alloy elements;
and analyzing the correlation of the average cluster growth speed with the content of the alloy elements, the grain size, the temperature and the dosage rate.
6. The irradiation damage simulation system based on rate theory and cluster dynamics as claimed in claim 1, wherein the calculation process of the rate theory module comprises:
the formation and growth rate analysis of gap-type and vacancy-type dislocation loops;
analysis of dislocation loop size, density and degree of hardening caused during irradiation;
and analyzing the correlation of the radius of the dislocation loop with the content of alloy elements, the size of crystal grains, the temperature and the dosage rate.
7. The irradiation damage simulation system based on rate theory and cluster dynamics according to any one of claims 1 to 6, wherein the control module comprises:
generating a computing task according to a group of input parameters, and controlling a plurality of computing tasks to run in parallel;
automatically analyzing the acquired data according to the calculation task to obtain the parameter correlation of the calculation data;
and exporting the output data to external drawing software after the output data visualization, monitoring and verification calculation process is realized by controlling and managing the calculation task.
8. The irradiation damage simulation system based on the rate theory and the cluster dynamics as claimed in any one of claims 1 to 6, wherein the web client comprises a web interface, a cluster manager, a node client;
the webpage interface is used for pre-evaluating a real-time calculation result in a visual mode, analyzing output data by using a graphical interface and providing real-time calculation task state information;
the cluster manager is used for interacting with an application program of a webpage interface through HTTP-API, receiving and executing user tasks, providing real-time calculation task state and progress monitoring, maintaining a task historical database, and interacting with a node client through SSL protocol based on JSON;
and the node client is used for receiving and executing the calculation task, monitoring the state and the progress of the calculation task in real time, controlling the calculation task and sending real-time data to the cluster manager.
9. The irradiation damage simulation system based on rate theory and cluster dynamics of claim 8, wherein the application program comprises a master node, a data storage node and a computation node;
the main node comprises shared software and a shared space, and interacts with the data storage node through an NFS protocol;
the data storage node interacts with the computing node through the NFS protocol;
the computing node comprises a computing task, shared software, a shared space and a node client, computing data obtained through simulation are stored in the data storage node, and the node client of the computing node and a manager of the main node interact through a bidirectional socks protocol.
10. The irradiation damage simulation method based on the speed theory and the cluster dynamics is characterized by comprising the following steps of:
the webpage client accesses the application program function of the core computing module by using a JSON format protocol in a request/response mode through an API (application programming interface), and the control module controls the core computing module to perform simulation computation;
simulating the forming and growing stages of the point defect clusters by a cluster dynamics method under low irradiation dose through a cluster dynamics module until dislocation loops are formed;
simulating the growth stage of dislocation loops by adopting a rate theory method under high irradiation dose through a rate theory module;
and determining the irradiation dose according to the dislocation damage rate and the accumulated dose, and selecting a cluster dynamics module or a rate theory calculation module for simulation according to the determination result.
Priority Applications (1)
| Application Number | Priority Date | Filing Date | Title |
|---|---|---|---|
| CN202110348121.5A CN112885414B (en) | 2021-03-31 | 2021-03-31 | Irradiation damage simulation system and method based on rate theory and cluster dynamics |
Applications Claiming Priority (1)
| Application Number | Priority Date | Filing Date | Title |
|---|---|---|---|
| CN202110348121.5A CN112885414B (en) | 2021-03-31 | 2021-03-31 | Irradiation damage simulation system and method based on rate theory and cluster dynamics |
Publications (2)
| Publication Number | Publication Date |
|---|---|
| CN112885414A true CN112885414A (en) | 2021-06-01 |
| CN112885414B CN112885414B (en) | 2022-11-08 |
Family
ID=76039810
Family Applications (1)
| Application Number | Title | Priority Date | Filing Date |
|---|---|---|---|
| CN202110348121.5A Active CN112885414B (en) | 2021-03-31 | 2021-03-31 | Irradiation damage simulation system and method based on rate theory and cluster dynamics |
Country Status (1)
| Country | Link |
|---|---|
| CN (1) | CN112885414B (en) |
Citations (15)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| NL2013872B1 (en) * | 2014-11-25 | 2016-10-11 | Univ Delft Tech | Flexible Irradiation Facility. |
| CN106653601A (en) * | 2016-11-14 | 2017-05-10 | 北京时代民芯科技有限公司 | Manufacture method for twin pole device resisting low dosage rate irradiation |
| 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 |
| CN109801682A (en) * | 2019-02-21 | 2019-05-24 | 河南理工大学 | A kind of explosive model construction method equivalent based on liquid carbon dioxide phase transformation fracturing radius |
| CN109920487A (en) * | 2019-01-17 | 2019-06-21 | 中国科学院合肥物质科学研究院 | Hydrogen is detained the multi-dimension analogy method with desorption in tungsten under a kind of radiation environment |
| CN110427711A (en) * | 2019-08-07 | 2019-11-08 | 中国原子能科学研究院 | MD the and KMC coupling process of reactor critical material Parallel Simulation |
| CN110423876A (en) * | 2019-08-02 | 2019-11-08 | 清华大学深圳研究生院 | A kind of method that can improve nuclear power plant reactor steel anti-radiation performance |
| CN110457810A (en) * | 2019-08-07 | 2019-11-15 | 中国原子能科学研究院 | The Rate Theory Parallel Simulation method that reactor critical material vacancy, gap develop |
| CN110459269A (en) * | 2019-08-07 | 2019-11-15 | 中国原子能科学研究院 | A kind of multi-scale coupling analogy method of nuclear reactor material irradiation damage |
| CN110660453A (en) * | 2019-10-09 | 2020-01-07 | 中国原子能科学研究院 | Parallel computing method for solving rate theoretical equation based on exponential time difference format |
| US20200168300A1 (en) * | 2018-11-27 | 2020-05-28 | California Institute Of Technology | Screening methods and related catalysts, materials, compositions, methods and systems |
| CN111695245A (en) * | 2020-05-20 | 2020-09-22 | 北京科技大学 | Material irradiation damage spatial resolution random cluster dynamics parallel simulation method |
| CN111766496A (en) * | 2020-07-28 | 2020-10-13 | 哈尔滨工业大学 | Method for detecting displacement damage sensitive part of bipolar transistor |
| 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 |
| 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 |
-
2021
- 2021-03-31 CN CN202110348121.5A patent/CN112885414B/en active Active
Patent Citations (15)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| NL2013872B1 (en) * | 2014-11-25 | 2016-10-11 | Univ Delft Tech | Flexible Irradiation Facility. |
| CN106653601A (en) * | 2016-11-14 | 2017-05-10 | 北京时代民芯科技有限公司 | Manufacture method for twin pole device resisting low dosage rate irradiation |
| US20200168300A1 (en) * | 2018-11-27 | 2020-05-28 | California Institute Of Technology | Screening methods and related catalysts, materials, compositions, methods and systems |
| 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 |
| CN109920487A (en) * | 2019-01-17 | 2019-06-21 | 中国科学院合肥物质科学研究院 | Hydrogen is detained the multi-dimension analogy method with desorption in tungsten under a kind of radiation environment |
| CN109801682A (en) * | 2019-02-21 | 2019-05-24 | 河南理工大学 | A kind of explosive model construction method equivalent based on liquid carbon dioxide phase transformation fracturing radius |
| CN110423876A (en) * | 2019-08-02 | 2019-11-08 | 清华大学深圳研究生院 | A kind of method that can improve nuclear power plant reactor steel anti-radiation performance |
| CN110457810A (en) * | 2019-08-07 | 2019-11-15 | 中国原子能科学研究院 | The Rate Theory Parallel Simulation method that reactor critical material vacancy, gap develop |
| CN110459269A (en) * | 2019-08-07 | 2019-11-15 | 中国原子能科学研究院 | A kind of multi-scale coupling analogy method of nuclear reactor material irradiation damage |
| CN110427711A (en) * | 2019-08-07 | 2019-11-08 | 中国原子能科学研究院 | MD the and KMC coupling process of reactor critical material Parallel Simulation |
| CN110660453A (en) * | 2019-10-09 | 2020-01-07 | 中国原子能科学研究院 | Parallel computing method for solving rate theoretical equation based on exponential time difference format |
| CN111695245A (en) * | 2020-05-20 | 2020-09-22 | 北京科技大学 | Material irradiation damage spatial resolution random cluster dynamics parallel simulation method |
| CN111766496A (en) * | 2020-07-28 | 2020-10-13 | 哈尔滨工业大学 | Method for detecting displacement damage sensitive part of bipolar transistor |
| 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 |
| 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 |
Non-Patent Citations (10)
| Title |
|---|
| CHRISTIAEN,B等: "A new scenario for < c > vacancy loop formation in zirconium based", 《ACTA MATERIALIA 179》 * |
| GUPTA N等: "Radiation-induced dental caries, prevention and treatment-A systematic review", 《NATIONAL JOURNAL OF MAXILLOFACIAL SURGERY》 * |
| JAIME MARIAN等: "Stochastic cluster dynamics method for simulations of multispecies irradiation damage accumulation", 《JOURNAL OF NUCLEAR MATERIALS》 * |
| STOLLER R E等: "Mean field rate theory and object kinetic Monte Carlo: A comparison of kinetic models", 《JOURNAL OF NUCLEAR MATERIALS》 * |
| 吴石等: "辐照导致奥氏体不锈钢内位错环演化行为模拟", 《核动力工程》 * |
| 周康宁等: "钒合金的电子辐照损伤研究", 《稀有金属》 * |
| 唐攀飞等: "计及级联内缺陷空间关联的团簇动力学模拟", 《计算物理》 * |
| 崔振国等: "低能中子在锆中产生的辐照损伤的计算机模拟研究", 《物理学报》 * |
| 王晓童等: "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", 《核动力工程》 * |
| 郑淇蓉等: "核材料中子辐照损伤的团簇动力学模拟综述", 《原子能科学技术》 * |
Also Published As
| Publication number | Publication date |
|---|---|
| CN112885414B (en) | 2022-11-08 |
Similar Documents
| Publication | Publication Date | Title |
|---|---|---|
| US20180083851A1 (en) | Cloud service notifications | |
| WO2021102024A1 (en) | Methods, systems, and media for initiating and monitoring instances of workflows | |
| US10474436B1 (en) | System and method for generative programming in an integrated development environment (IDE) | |
| CN110402430A (en) | Control device, control method and control program | |
| CN114091672B (en) | Distributed model reasoning method and device, electronic equipment and medium | |
| WO2019035809A1 (en) | Interactive model performance monitoring | |
| US20160132770A1 (en) | Early generation of individuals to accelerate genetic algorithms | |
| CN109212999B (en) | Intelligent generation method and system for digital satellite simulation working condition | |
| CN112885414B (en) | Irradiation damage simulation system and method based on rate theory and cluster dynamics | |
| CN110704851A (en) | Public cloud data processing method and device | |
| CN110399287B (en) | Coverage rate collection method and coverage rate collection device for application test | |
| CN104011682B (en) | The method and computer system of predictive treatment are carried out to application affairs response | |
| CN116542178A (en) | Constant flow numerical simulation method, device, equipment and medium | |
| CN111143967A (en) | Improved power grid quota decision method and system | |
| CN113076640B (en) | Zirconium-based alloy irradiation damage software simulation system and method based on cluster dynamics | |
| CN112286684B (en) | Memory usage control method, device, equipment and medium | |
| CN113626044A (en) | Service management method and device | |
| Hernández et al. | A Simulation-based Scheduling Strategy for Scientific Workflows. | |
| Borreguero et al. | Integrating advanced materials simulation techniques into an automated data analysis workflow at the spallation neutron source | |
| CN112464054A (en) | Logging data processing method and device | |
| US11474492B2 (en) | Apparatus and method for autonomously adding and removing of functionality in programmable logic controllers (PLCs) | |
| CN115687158B (en) | Protocol software testing method and device | |
| CN118377439B (en) | Hard disk IO control method, product, equipment and storage medium | |
| CN114546623B (en) | Task scheduling method and system based on big data system | |
| CN109976715A (en) | A kind of software project development method and apparatus |
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 |