CN115965327A - Processing and analyzing system and method based on nuclear power high-throughput computing data - Google Patents
Processing and analyzing system and method based on nuclear power high-throughput computing data Download PDFInfo
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Abstract
The invention discloses a processing and analyzing system based on nuclear power high-throughput computing data, which comprises a configuration software module, a calling software module, a parameter setting module, an analysis module, a metadata verification module and a data packaging module, wherein the configuration software module comprises: configuring calculation software for nuclear power data; calling a software module: calling a normally running calculation software API; a parameter setting module: setting a calculation simulation condition range according to nuclear power material research and development requirements; an analysis module: performing corresponding visual analysis on the process file generated by high-throughput calculation to generate a chart, a table and a property field data type; a metadata verification module: data verification will be performed on the high-throughput computed data; a data encapsulation module: and associating the verified performance metadata to the unique identifier, and packaging the unique identifier into complete nuclear power material calculation data.
Description
Technical Field
The invention belongs to the technical field of nuclear power data arrangement, and particularly relates to a processing and analyzing system and method based on nuclear power high-throughput computing data.
Background
In the process of designing the nuclear reactor and the nuclear reaction, the development time can be saved and the development cost can be reduced by adopting a material integration calculation mode. A typical reactor structural material calculation database mainly comprises various types of calculation data such as first-principle calculation, molecular dynamics calculation, thermodynamic calculation, finite element analysis and the like. The mass data calculated by typical reactor structural materials need to adopt a material metadata model standardization standard to realize material science multi-mode data acquisition, transmission, storage and sharing visualization 'integrated data chain'; and (4) putting through the exchange, fusion, storage and use of the nuclear power material calculation data and the full life cycle data of the experimental data from design to service application data.
As a part for assisting and verifying experimental design in the full life cycle data of the material, if the nuclear power structural material calculation data can be efficiently and stably integrated, a solid foundation is laid for research and development of calculation assisting experimental design and subsequent data mining technology in micro-to macro-scale research and application.
In the nuclear power structural material research and development process, the labor cost, the material resource cost and the time cost in the experimental research and development process can be reduced by combining experimental data with calculation data, and the research and development efficiency is greatly improved. However, due to the influence of various material properties, the stage of the life cycle of the material, other economic and human factors and other factors, a large amount of computing service data adopting different storage modes is accumulated in the research and development process, and a heterogeneous data source is formed. Heterogeneous data source integration is a classic problem in the field of databases, and when a heterogeneous data source integration system is constructed, problems of heterogeneity, integrity, inconsistent semantics, integration performance and the like of heterogeneous data sources are mainly faced.
Disclosure of Invention
Aiming at the defects of the prior art, the invention aims to provide a processing and analyzing system and a processing and analyzing method based on nuclear power high-throughput computing data, and solves the technical problems in the prior art.
The purpose of the invention can be realized by the following technical scheme:
a processing and analyzing system based on nuclear power high-throughput computing data comprises a configuration software module, a calling software module, a parameter setting module, an analysis module, a metadata checking module and a data packaging module,
the configuration software module: configuring calculation software for nuclear power data;
the calling software module: calling a normally-running calculation software API;
the parameter setting module: setting a calculation simulation condition range according to nuclear power material research and development requirements;
the analysis module is used for: performing corresponding visual analysis on the process file generated by high-throughput calculation to generate a chart, a table and a property field data type;
the metadata verification module: data verification will be performed on the high-throughput computed data;
the data encapsulation module: and associating the verified performance metadata to the unique identifier, and packaging the unique identifier into complete nuclear power material calculation data.
Further, the types of the computing software in the configuration software module comprise VASP, thermo-Calc and Jmatpro.
Furthermore, the calling software module judges whether the operation is normal or not by judging the input and output files and the input and output text formats.
Further, the calculation parameters in the parameter setting module include composition range, heat treatment range and different crystal structures.
Furthermore, the graphs and tables in the analysis module comprise property graphs, phase graphs, energy band curves and optical property curves.
Further, the check type in the metadata check module includes: data integrity check, data reliability check, data validity check, data association check and data availability check.
Further, the unique identification in the data encapsulation module includes first principle metadata, thermodynamic calculation metadata, kinetic calculation metadata, and finite element simulation metadata.
The processing and analyzing method based on nuclear power high-flux calculated data comprises the following steps:
s1, firstly configuring high-flux material integrated calculation software for nuclear power data;
s2, outputting components and calculating parameter ranges, and setting high-flux calculation input parameters;
s3, calling API driving calculation software to perform high-throughput calculation;
s4, performing corresponding visual analysis on the process file generated by the high-throughput calculation to generate a chart, a table and a property field data type;
s5, judging whether the calculated data in the S4 is valid or not, judging the integrity of the calculated data, and if the experimental data is valid, performing correlation contrast with the experimental data, and if the experimental data is invalid, directly ending;
and S6, correlating the experimental data of correlation contrast to the unique identification, packaging the unique identification into complete nuclear power material calculation data, and finally storing the complete nuclear power material calculation data in a database.
Further, in S4, the high-throughput computing data file is read first, collected and sorted, and processed into unstructured computing data according to a predetermined analysis optimization manner, and then the unstructured computing data is subjected to parameter analysis and definition analysis.
The invention has the beneficial effects that:
1. according to the invention, through the calculation data of the nuclear power structural material, multi-source heterogeneous data generated by high-throughput calculation of different calculation software can be uniformly and efficiently analyzed, a material calculation metadata model is completely mapped and uniformly stored. The flexibility, the completeness, the tightness and the processing efficiency of data integration are improved.
2. The invention adapts to massive computation heterogeneous data sources generated by high-throughput computation of nuclear power structural materials with different life cycles, and integrates computation data of nuclear power structural materials with increasing complexity and data volume completely and quickly.
Drawings
In order to more clearly illustrate the embodiments of the present invention or the technical solutions in the prior art, the drawings used in the description of the embodiments or the prior art will be briefly described below.
FIG. 1 is a diagram of a nuclear power high-throughput computing data processing architecture according to an embodiment of the present invention;
FIG. 2 is a flow chart of nuclear power high-throughput computing data processing according to an embodiment of the invention.
Detailed Description
The technical solution in the embodiments of the present invention will be clearly and completely described below with reference to the accompanying drawings in the embodiments of the present invention. All other embodiments, which can be derived by a person skilled in the art from the embodiments given herein without making any creative effort, shall fall within the protection scope of the present invention.
As shown in fig. 1, an embodiment of the present invention provides a processing and analyzing system based on nuclear power high-throughput computing data, including a configuration software module, a calling software module, a parameter setting module, an analysis module, a metadata verification module, and a data encapsulation module;
configuring a software module: configuring calculation software for nuclear power data; common computing software such as VASP, thermo-Calc, jmatpro, etc. may be configured.
Calling a software module: calling a normally running calculation software API; whether the calculation API can be called normally, whether the input and output files are readable normally, the format requirements of the input and output files and the like need to be judged.
A parameter setting module: setting a calculation simulation condition range according to the research and development requirements of nuclear power materials; such as a mass fraction range, a heat treatment range, a plurality of different crystal structures, and the like.
An analysis module: performing corresponding visual analysis on the process file generated by high-throughput calculation to generate a chart, a table and a property field data type; wherein: the graphs and tables include property diagrams, phase diagrams, energy band curves, and optical property curves, in which case different analytic styles exist for different data sources.
A metadata verification module: data verification will be performed on the high-throughput computed data; the check types include: data integrity check, data reliability check, data validity check, data relevance check and data availability check, wherein at the moment, the data can be disassembled into a plurality of single attributes to form a metadata model.
A data encapsulation module: and associating the verified performance metadata to a unique identifier, and packaging into a complete nuclear power material calculation data, wherein: the unique identification comprises first-principle metadata, thermodynamic calculation metadata, kinetic calculation metadata and finite element simulation metadata.
As shown in FIG. 2, the method for processing and analyzing the nuclear power high-throughput computing data comprises the following steps:
s1, firstly configuring high-flux material integrated calculation software for nuclear power data; common computing software such as VASP, thermo-Calc, jmatpro and the like can be configured, then whether a computing software API can be called or not is judged, if yes, the step S2 is executed, and if not, the operation is directly ended.
And S2, outputting the components, calculating the parameter range, and setting high-throughput calculation input parameters.
S3, calling API to drive calculation software to perform high-throughput calculation, and judging whether the calculation software API can be called or not;
and S4, performing corresponding visual analysis on the process file generated by the high-throughput calculation (namely processing the process file into unstructured calculation data according to a preset analysis optimization mode, and performing parameter analysis and definition analysis on the unstructured calculation data), predefining a material calculation metadata model, and analyzing the calculation data read from the database into visual graphs, tables and corresponding property fields.
S5, judging whether the calculated data in the S4 is valid or not, judging the integrity of the calculated data (including data integrity check, data reliability check, data validity check, data relevance check, data availability check and the like), and if the experimental data is valid, performing correlation comparison with the experimental data, and if the experimental data is invalid, directly ending;
and S6, correlating the experimental data of correlation contrast to the unique identification, packaging the unique identification into complete nuclear power material calculation data, and finally storing the complete nuclear power material calculation data in a database.
By means of the calculation data of the nuclear power structural material, multi-source heterogeneous data generated by high-throughput calculation of different calculation software can be uniformly and efficiently analyzed, a material calculation metadata model is completely mapped, and the data are uniformly stored. The flexibility, the completeness, the tightness and the processing efficiency of data integration are improved. The method is suitable for massive calculation heterogeneous data sources generated by high-throughput calculation of nuclear power structural materials in different life cycles, and is used for completely and quickly integrating the calculation data of the nuclear power structural materials with increasing complexity and data quantity.
The foregoing shows and describes the general principles, essential features, and advantages of the invention. It will be understood by those skilled in the art that the present invention is not limited to the embodiments described above, which are described in the specification and illustrated only to illustrate the principle of the present invention, but that various changes and modifications may be made therein without departing from the spirit and scope of the present invention, which fall within the scope of the invention as claimed.
Claims (9)
1. A processing and analyzing system based on nuclear power high-throughput computing data comprises a configuration software module, a calling software module, a parameter setting module, an analysis module, a metadata verification module and a data encapsulation module,
the configuration software module: configuring calculation software for nuclear power data;
the calling software module: calling a normally-running calculation software API;
the parameter setting module: setting a calculation simulation condition range according to nuclear power material research and development requirements;
the analysis module is used for: performing corresponding visual analysis on the process file generated by high-throughput calculation to generate a chart, a table and a property field data type;
the metadata verification module: data verification will be performed on the high-throughput computed data;
the data encapsulation module: and associating the verified performance metadata to the unique identifier, and packaging the unique identifier into complete nuclear power material calculation data.
2. The system for processing and analyzing nuclear power high-throughput computing data according to claim 1, wherein the types of computing software in the configuration software module include VASP, thermo-Calc, jmatpro.
3. The system for processing and analyzing nuclear power high-throughput computing data according to claim 1, wherein the calling software module judges whether the system is in normal operation or not by judging input/output files and input/output text formats.
4. The system for processing and analyzing nuclear power high-throughput computing data according to claim 1, wherein the computing parameters in the parameter setting module include composition range, heat treatment range and different crystal structures.
5. The system for processing and analyzing data based on nuclear power high-throughput computing according to claim 1, wherein the maps and tables in the analysis module comprise property maps, phase maps, energy band curves and optical property curves.
6. The system for processing and analyzing data based on nuclear power high-throughput computing according to claim 1, wherein the check type in the metadata check module comprises: data integrity check, data reliability check, data validity check, data relevance check and data availability check.
7. The nuclear power high-throughput computing data-based processing and analyzing system of claim 1, wherein the unique identification in the data encapsulation module comprises first principles metadata, thermodynamic computing metadata, kinetic computing metadata, and finite element simulation metadata.
8. The method for processing and analyzing the nuclear power high-flux calculation data according to any one of claims 1 to 7, characterized by comprising the following steps:
s1, firstly, configuring high-flux material integrated calculation software for nuclear power data;
s2, outputting components and calculating parameter ranges, and setting high-flux calculation input parameters;
s3, calling API driving calculation software to perform high-throughput calculation;
s4, performing corresponding visual analysis on the process file generated by the high-throughput calculation to generate a chart, a table and a property field data type;
s5, judging whether the calculated data in the S4 is valid or not, judging the integrity of the calculated data, and if the experimental data is valid, performing correlation contrast with the experimental data, and if the experimental data is invalid, directly ending;
and S6, correlating the experimental data of correlation contrast to the unique identification, packaging the unique identification into complete nuclear power material calculation data, and finally storing the complete nuclear power material calculation data in a database.
9. The method for processing and analyzing nuclear power high-throughput computing data according to claim 8, wherein in S4, the high-throughput computing data file is read first, collected and sorted, and processed into unstructured computing data according to a predetermined analytic optimization mode, and then the unstructured computing data is subjected to parameter analysis and definition analysis.
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| CN116861042B (en) * | 2023-09-05 | 2023-12-05 | 国家超级计算天津中心 | Information verification method, device, equipment and medium based on material database |
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