CN106447229A - Material data management system and method in material informatics - Google Patents

Material data management system and method in material informatics Download PDF

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CN106447229A
CN106447229A CN201610929885.2A CN201610929885A CN106447229A CN 106447229 A CN106447229 A CN 106447229A CN 201610929885 A CN201610929885 A CN 201610929885A CN 106447229 A CN106447229 A CN 106447229A
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material data
informatics
data management
management system
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向勇
赵正爽
王聪
臧亮
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University of Electronic Science and Technology of China
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Abstract

The invention relates to the field of material informatics, and especially relates to a material data management system and method in material informatics. The method comprises the steps: material data collection, wherein the collected material data comprises material experiment data, material calculation data, and material production data; material data classification: classifying the collected material data, and forming a corresponding material database; material data storage: storing the classified material data; material data sharing: carrying out the real-time transmission of the classified material data, and achieving the sharing of the material data; and material data operation: carrying out the adding, deleting, modifying and searching operations of the material data, and presenting the material data to a user. The system employs the above method. The system and method build a complete material informatics research framework, promote the development of the material informatics, and speeds up the research speed of new materials.

Description

A kind of material data management system in Materials Informatics and method
【Technical field】
The present invention relates to Materials Informatics field, the material data management system in more particularly, to a kind of Materials Informatics and Method.
【Background technology】
With scientific and technical development, the research and development rate request more and more higher to new material, Materials Informatics are modern letters The breath product that combines with material science research of technology, development Materials Informatics are to the discovery of acceleration new material to closing again Will, Materials Informatics as a new research field of material science, have changed experimental technique in investigation of materials, think of Examine mode, also will bring more changes.
For Materials Informatics, material data is of crucial importance.Materials Informatics mainly pass through to the material collecting The related data of material is analyzed, and reaches the function of finding material rule with the prediction realizing new material, no matter being experimental data Or calculate data, be all through the basis of the information in Materials cycle.But, current Materials Informatics also neither one Complete theoretical frame, research direction is also very scattered, when in the face of the material data of magnanimity, lacks effective data management.
【Content of the invention】
For current material informaticss in the face of magnanimity material data lacks the problem of effectively management, the present invention provides a kind of material Material data management system in material informaticss and method.
The scheme that the present invention solves technical problem is the material data management method providing in a kind of Materials Informatics, described Material data management method in Materials Informatics includes:
Material data gathers, and the material data of collection includes material experiment data, material calculates data and material produces number According to;And
Material data is classified, and the material data collecting is classified and is formed corresponding material database;And
Material data stores, and will store through sorted material data;And
Material data is shared, and carries out real-time Transmission to through sorted material data, realizes material data and shares;And
Material data operates, and material data is carried out increasing, deletes, change, looking into operation, material data is presented to user.
Preferably, the material data management method in described Materials Informatics further includes:
Material data standardization, is standardized to material data form, and provides the conversion between data in different formats Method and kit for.
Preferably, the material data management method in described Materials Informatics further includes:
Material data emulates, and forms the artificial material letter meeting user's request according to the data message emulation in material data Breath.
Preferably, the material data management method in described Materials Informatics further includes:
Material data apply, by described artificial material data or material data be sent to user side for user side with reference to or Truly produced or tested.
Preferably, the data simulation model that described material data emulation adopts is self-defined phantom, data calculates mould Type or Data correction model.
Preferably, the material data management method in described Materials Informatics further includes:
Priority assignation, carries out authority to the user using or accessing the material data in this material data management system and sets Put, the authority difference that different types of user uses or accesses, the different degrees of material data of opening.
The present invention also provides the material data management system in a kind of Materials Informatics, the material in described Materials Informatics Data management system includes:
Material data collecting unit, for capturing material data, the material data of collection includes material experiment data, material Calculate data and material creation data;
Material data taxon, for being classified to the material data collecting and being set up corresponding material data Storehouse;
Material data shared cell, for carrying out real-time Transmission to through sorted material data;
Material data memory element, for storing through sorted material data;
Functional unit, for carrying out increasing to material data, deleting, change, looking into operation, and material data is presented to user.
Preferably, the material data management system in described Materials Informatics further includes material data standardization list Unit, described material data Standardisation Cell is used for material data form is standardized, and provides between data in different formats Conversion method and instrument.
Preferably, the data message emulation in described functional unit material data forms the emulation meeting user's request Material information.
Preferably, the material data management system in described Materials Informatics further includes:
Applying unit, for using artificial material data or material data as with reference to or truly produced or tested;
Subscriber unit, for weighing to the user using or accessing the material data in this material data management system Limit setting.
Compared with prior art, the material data management method in the Materials Informatics of the present invention includes:Material data is adopted Collection, the material data of collection includes material experiment data, material calculates data and material creation data;And material data classification, The material data collecting is classified and is formed corresponding material database;And material data storage, will be after classification Material data store;And material data is shared, carries out real-time Transmission to through sorted material data, realizes material Data sharing;And material data operation, material data is carried out increasing, deletes, change, looking into operation, material data is presented to user.This Material data management method in the Materials Informatics of invention establishes a kind of complete material information science study method, Ke Yigeng Clear and definite research direction well.
Compared with prior art, the material data management system in the Materials Informatics of the present invention establish one complete Materials Informatics framework, can preferably integrate domain knowledge, merge the different theories of each side, effectively to Materials Informatics Section is planned, promotes the development of material information subject, accelerates the research and development speed of new material.
【Brief description】
Fig. 1 is the schematic flow sheet of the material data management method in the Materials Informatics of the present invention.
Fig. 2 is the structural representation of the material data management system in the Materials Informatics of the present invention.
【Specific embodiment】
In order that the purpose of the present invention, technical scheme and advantage become more apparent, below in conjunction with accompanying drawing and embodiment, The present invention will be described in further detail.It should be appreciated that specific embodiment described herein is only in order to explain the present invention, It is not intended to limit the present invention.
Refer to Fig. 1, the present invention provides the material data management method in a kind of Materials Informatics, is applied to a material number According to management system, the method comprises the following steps:
S1:Material data gathers;The material data of collection includes material experiment data, material calculates data and material produces Data, material creation data includes involved material mixture ratio in actual production manufacture process, technological parameter, production equipment information Deng one or more data and material produced data in actual applications.Material experiment data is included in material experiment process In involved material mixture ratio, experiment condition, one or more data such as experimental facilitiess information.Material calculate data include but not Be defined in calculate in production process and experimentation involved data, data computation model and Data correction model etc. a kind of or Multiple data.
Material creation data is produced by production equipment;Production equipment is not limited to existing 3D printing equipment, magnetron sputtering sets Standby and hot melting equipment etc..
Material experiment data is produced by high flux experimental facilitiess or traditional mode of production experimental facilitiess.Preferably, high flux is real Equipment of testing is directed to specific area and develops to improve the accuracy of data.As for solid lithium ion battery, oxide semiconductor, The application-specific demand such as gel state solid state battery and Graphene, designs and develops laboratory, small lot, middle batch and the special height of volume production Flux technology of preparing and equipment, accelerate related new material research and development and production technology optimization.
The material experiment data that high pass experimental facilitiess produce in experimentation is high flux experimental data.High pass experiment sets Standby including but not limited to high flux Preparation equipment or iron-enriched yeast equipment.
High flux Preparation equipment is the material Preparation equipment that can simultaneously prepare multiple heterogeneities on a substrate, high pass Amount Preparation equipment carries out authentic material preparation experiment for application simulation material data.High flux Preparation equipment can provide preparation Become be grouped into, preparation condition, preparation technology, at least one data preparing in device therefor information etc..High flux Preparation equipment Including but do not limit and adopt with ion beam sputtering, magnetron sputtering, electron beam evaporation, Ultrasonic spraying and 3D printing etc. as base The high flux material of plinth, device technology of preparing, to accelerate the high flux conventional efficient of the polymorphous materials such as thin film, block, powder body.
Iron-enriched yeast equipment is the material testing apparatus that can simultaneously characterize multiple heterogeneities on a substrate, high pass Scale is levied equipment and is carried out authentic material sign experiment for application simulation material data or material data.Iron-enriched yeast equipment can To provide material composition characterize data, material structure characterize data, optical properties of materials characterize data, material electromagnetic property table Levy data, microcell thermodynamic property characterize data, microcell Electrochemical Characterization data, microcell mechanical property characterize data, micro- At least one data in area's magnetic performance characterize data, catalytic performance characterize data etc..Iron-enriched yeast equipment include but not It is defined in using based on characterizing methods such as XRD (X-ray diffraction), magneto-optical kerrs, development multichannel array formula, serial scan formula etc. are reflected The technology of penetrating carries out high flux synthesis characterization technology.Iron-enriched yeast equipment can also fill further combined with science such as synchrotron radiations Put, develop laboratory and science platform real-time in-situ experimental facilitiess, realize high spatial/temporal resolution signals collecting and high speed number According to process.
Traditional mode of production experimental facilitiess can be understood as the productive experiment equipment in addition to high flux experimental facilitiess, including but not It is defined in the equipment being currently used for manufacture material, part, component etc., still further comprise and power is carried out to material, part, component etc. Learn the test equipment of performance and processing performance etc..
Material calculates process or the fortune that data is run in production equipment, high flux experimental facilitiess or traditional mode of production experimental facilitiess Involved data after row produces in calculating.The calculating data that high pass experimental facilitiess are related in experimentation calculates number for high flux According to.High flux calculates data and includes but is not limited to come the pass of research material component, structure and performance with reference to computer modeling technique System, it is based on known infallible data, goes to attempt as much as possible true or unknown material with theoretical modeling, in theoretical modeling During can supervene magnanimity high flux calculate data.For example, high flux calculates can be based on first principle A large amount of parallel computations to periodic table of elements multiplexed combination, produce the non-structured data of magnanimity;High flux is tested Using combined chip method, can get the sample of thousands of heterogeneities in once testing, each sample is carried out Real-time monitoring is with information such as the material structures that obtains.
Preferably, include the function of original material in described material creation data and material experiment data, mechanical characteristic, Structure activity relationship etc..So, the material information of the material that there is now all was collected.Select as a kind of, described existing material Material information can be that existing third party database is provided, effectively utilizes existing resource.
Preferably, described material data can be local production equipment included by material data management system, locally high Throughput experimentation equipment or local traditional mode of production experimental facilitiess are provided.Can be that third party data set provider provides further.The When tripartite data set provider is the mechanism such as enterprise, institute, what they were mostly carried out is the investigation of materials of orientation, third party's data Supplier can obtain new material during the original material data using material data management system carries out investigation of materials Data, new this portion of material data obtaining is probably itself unnecessary for third party data set provider, but for it It is useful for his user, third party data set provider can select the partly or completely new material data obtaining exists Sell in this material data management system or provide free, material data management system is collected or do not collected commission.Preferably Ground, third party data set provider is the creator of data, is also the sharer of data.
S2:Material data is classified;Classified based on the material data that default classifying ruless obtain to step S1 and formed Corresponding material database.
Specifically, the feature of material data is sufficiently complex, for example multiformity, unknown characteristic, acquisition process complexity, data Between association complicated the features such as, therefore before carrying out data storage, need by the criteria for classification of correlation, data to be carried out reasonably Classification.Default classifying ruless can be the one of multiple dimensioned classifying ruless, single yardstick classifying ruless and functional material classifying ruless Plant or multiple.
Form sorted material database after material data being classified based on multiple dimensioned classifying ruless.Specifically, Above-mentioned multiple dimensioned classifying ruless include:Electron scale, atom-molecule yardstick, micro-scale, meso-scale, macro-scale.Then right Answer, respective material data base include:Electron scale data base, atom-molecule yardstick data base, micro-scale data base, Jie See yardstick data base, macro-scale data base, the secondary data storehouse that can also be formed based on above five kinds of data bases.For example in work Performance on different scale for the analysis project material is needed to include in the Integrated Development of journey material:Observe engineering on a microscopic scale The structure of material and mechanical property, engineering material is observed the bearing of engineering material on a macroscopic scale and is stablized after making product Property.Then engineering experiment material data is classified to form micro-scale data base and macroscopical chi based on multiple dimensioned classifying ruless Degrees of data storehouse.Multiple dimensioned sorting technique covers all yardsticks, and the division to yardstick is more careful, and preferably analysis of material is not With the performance on yardstick.
Form material database after material data being classified based on single yardstick classifying ruless.For example, imitated based on structure Relation is according to single yardstick classifying ruless classified material data.
Form material database, the function of material data after material data being classified based on functional material classifying ruless Difference, place material database is just different, thus realizing the function classification storage according to experiment material data.
In actual applications, need above-mentioned classifying ruless integrated use it is also possible to be classified according to detailed programs.
As a kind of deformation, preferably exist, multiple dimensioned classifying ruless, single yardstick classifying ruless and functional material classifying ruless Front a data base is set up according to Data Source etc., after different data bases is formed, then from multiple dimensioned classifying ruless, single The angle of yardstick classifying ruless and functional material classifying ruless carries out classification and forms secondary data storehouse to data.For example, based on number Set up a described data base according to source, a data base is base layer data storehouse, this data base includes gathered material and produces The material creation data data base of data, the high flux experimental data base of set high flux experimental data, set high flux calculate The high flux of data calculates data base, traditional material data database and experts database.Material creation data data base includes giving birth to Data that product equipment produces in daily production, manufacture process and the data that material produces in actual applications;High flux is tested Data base includes high flux experimental data;High flux calculates data base and includes high flux calculating data;Traditional material Data Data Storehouse mainly includes document, the available data in patent and existing material database;Experts database can be using paid contribution experience Data system, invites the experts and scholars of some Material Fields collection to carry out material empirical data.According to actual needs, also may be used To set up one or more levels secondary data storehouse, one or more levels three secondary data storehouse or classification on the basis of a data base more Careful data base, for example, secondary data storehouse can be ships ferrous materials data base, low-alloy steel data base, multinational material Material trade mark data base, automotive material are with data bases such as steel data base, nuclear material, high temperature alloy and structural titanium alloys.
As a kind of deformation it is also possible to first classify from multiple dimensioned classifying ruless, single yardstick classifying ruless and functional material Rule sets up a data base, then sets up secondary data storehouse according to Data Source etc. on the basis of a data base.
S3:Material data stores;Using mass data storage technology, material data sorted in step S2 is stored Get up.
Specifically, mass data storage technology includes computer cluster, portable hard drive, virtual memory technique, DNA storage One or more of technology, cloud storage technology, computer cluster is a kind of computer system, and it has good expanding Property;Portable hard drive has the advantages that capacity is big, cost performance is high;Virtual memory technique can be user and application program offer is virtual Disk and virtual volume, user such as can arbitrarily be split, be merged, being reconfigured at the operation according to self-demand;DNA storage is profit Carry out code storage with A, T, C, G;Cloud storage technology is using distributed file system, data to be stored.The present invention is excellent Choosing to be done exemplary illustrated using cloud storage technology, is not limited thereto.Cloud computing is the energy using network calculations processing data Power, integration equipment calculates storage resource, and builds large-scale computer cluster platform, relends and helps Intel Virtualization Technology, thus Provide the user information service, final realization calculates reasonable distribution and use with storage resource.Cloud storage is one with data Storage and manage cloud computing system for core, the feature of cloud storage is exactly that material data is clearly deposited by well arranged, orderliness Storage is got up.
Preferably, include step after step s 3:
S4:Material data standardization;Material data form is standardized, and the conversion side between different-format is provided Method and instrument, make to carry out table to material data using same data form, codes and standards etc. between different data bases Reach, exchange.When a kind of data base submits data to user thereto, other data bases also can share to this number at short notice According to, it is to avoid each data base occurs because data form is different, specification is different or standard is different, table is being carried out to same data There are different lexical or textual analysis, thus bringing puzzlement to user when reaching, explaining.For example, in international material genetic engineering academy joint Academy of science of state calculates the material genetic engineering Test Data Collecting transmission all-in-one that institute/information is developed cooperatively, can adopt in real time All data of collection material technique for gene engineering testing equipment, the integrity of guarantee material experiment data, real-time, seriality, And standardization is carried out to data, has had identical lexical or textual analysis in multiple data bases.The form of material data, codes and standards Can create based on the basis of existing XML (markup language can be expanded) standard or MatML (material composition language) standard etc. Build new form, a codes and standards, existing data form, codes and standards can also be comprised.
In an embodiment of the present invention, set up one the advantages of the expansibility based on MatML language, motility and simplicity Cover new international standard, and material data is marked using standardized material term.Specifically, material data is divided Corresponding base material data base, such as metal material data base, Inorganic Non-metallic Materials data base, macromolecule is set up after class Material database, composite data base and new material data base five big class, and five big class are encoded, use MatML language Say and to be marked;Secondary data storehouse, three secondary data storehouses or finer are set up on the basis of five big class base layer data storehouses Data base, and be successively marked.Standardized material term, material is adopted during material data is marked Term includes conversion between material property, material composition, title material and different all-purpose language etc..As preferred, When material data is marked, build between similar nature, structure is close, purposes is close or component is close material data Vertical relatedness, in order to carry out material data excavation.
S5:Material data is shared;Real-time Transmission is carried out to the material data after step S3 or step S4, realizes material Material data sharing.
Specifically, material data is shared finger and the material data after classification or standardization is passed through the network system, shared Agreement and distribution type data collection method are transferred in material data management system, to realize the real-time Transmission of material data.
Preferably, different to different user side data sharing degree, and then include step:
S6:Priority assignation;The user using or accessing the material data in this material data management system is weighed Limit setting, the authority difference that different types of user uses or accesses, the different degrees of material data of opening.
Specifically, user is roughly divided into two big class:Internal control person and external user.External user can be material scientific research Team, Material Field enterprise, material abecedarian or materials demand person etc., external user can manage system by material data System carries out data query, and related data can be presented by material data management system, the entry including data and needs The data paid and free data.For example, external user is in the inquiry performance of ferrous materials and purposes, according to material data Universality to open material data, commonplace material data to external user, and external user can freely obtain;And apply Not universal material data, external user then needs to pay to obtain;And the material data of security classification, such as ferrous materials exist The purposes of defense technology, external user cannot obtain.And internal control person can enter line pipe to material data management system Reason, it can carry out typing to material data, system is safeguarded.As preferred, with material data management system The material data of constantly improve and magnanimity constantly accumulates, and can set up member's mechanism for external user, divides different etc. Level, the open different degrees of data to different grades of member, fee charged also can be different.Deformation implementation as the present invention Example is it is also possible to carry out identical priority assignation to the user of this material data management system.
S7:Material data operates;Step S7 includes step S71 and/or S72:
S71:Material data emulates;The emulation material meeting user's request is formed according to the data message emulation in material data Material information.
Artificial material data is generated by technology such as data analysiss, the emulation of data mining data.For example, user proposes certain Plant performance requirement, according to this demand, the existing material data with similar this kind of property can be carried out excavating, analyzes, and lead to Cross data simulation technology to predict possible material composition;Or analysis property development under different proportionings for the component becomes Gesture, structure trend;Or analysis is new elementary composition, that is, that may be present elementary composition between different elements.
Preferably, in material data simulation process, the data simulation model that it adopts can be self-defined or with reference to meter Count according to the data computation model including and Data correction model.
Self-defined phantom includes but is not limited to atom and molecule dimension calculation model, macro-scale computation model, height The phantom of multiple type such as flux computation model, determines that from the phantom of multiple types one is needed with material experiment The phantom seeking information matches carries out material experiment emulation.Specifically, by default phantom to material experiment demand Information carries out material experiment emulation and is specially with generating the embodiment of artificial material data:By atom and molecule dimension calculation mould Type carries out material experiment and emulates to generate first kind artificial material data to material experiment demand information;And/or by macroscopical chi Degree computation model carries out material experiment and emulates to generate Equations of The Second Kind artificial material data to material experiment demand information;And/or it is logical In too high flux computation model, material experiment demand information is carried out with material experiment emulate to generate the 3rd class artificial material data. Thus the multiformity of required artificial material data can be mated by the multiformity of above-mentioned default phantom, asked with solving material The multiformity of topic.
Preferably, described phantom can update situation according to the data of material database and be corrected optimizing to obtaining Obtain the most real artificial material information.Preferably, fallen into a trap according to material database the count renewal situation of evidence of phantom is carried out Correction optimizes.
As the variant embodiment of the present invention, step S71 can be omitted.
S72:Material data editor;Material data is carried out increase, the operation such as delete, change, looking into, can insert in material database New data, delete unwanted data, data that modification has existed, the data in query material data management system;Also may be used So that material data to be presented to user with the visual form such as chart, figure, structure, in order to the understanding of material data and Propagate.
Preferably, include step after step s 7:
S8:Material data is applied;Described artificial material data or material data are sent to described user side for user Hold with reference to or truly produced/test.
Specifically, material data or artificial material data are supplied to high flux experimental facilitiess, production equipment or biography System productive experiment equipment, high flux experimental facilitiess or traditional mode of production experimental facilitiess are according to the material data providing or emulation material Material data is tested, and production equipment carries out actual production manufacture according to the material data providing or artificial material data.Example As the artificial material data being supplied to application apparatus is material component, then application apparatus is carried out very to the material component receiving Real material experiment or manufacture, production.For example, the artificial material data being supplied to application apparatus is material temperature, then control true Real material experiment or manufacture, the temperature producing are the material temperature receiving.
Refer to Fig. 2, the present invention also provides the material data management system 10 in a kind of Materials Informatics, and it adopts as above Material data management method in described Materials Informatics, it includes material data collecting unit 11, material data grouping sheet Unit 13, material data memory element 15, material data shared cell 17, functional unit 19, applying unit 21 and subscriber unit 23.As the variant embodiment of the present invention, applying unit 21 and/or subscriber unit 23 can omit.
Material data collecting unit 11 is used for capturing material data, and this material data can be material experiment data, material Calculate one or more of data and material creation data, material data collecting unit 11 mainly includes high flux experiment and sets Standby, production equipment and traditional mode of production experimental facilitiess, production equipment capturing material creation data, high flux experimental facilitiess and tradition life Produce experimental facilitiess capturing material experimental data, production equipment, high flux experimental facilitiess and traditional mode of production experimental facilitiess were running After journey or operation, involved data calculation process capturing material calculates data.
Material data taxon 13 is used for the material data collecting being classified and being set up corresponding material data Storehouse.
Material data memory element 15 is used for store through sorted material data.
Material data shared cell 17 is used for carrying out real-time Transmission to through sorted material data, realizes material data Shared.
Functional unit 19 is used for material data being carried out increasing, the operation such as deleting, change, looking into, and by material data with chart, figure The visual form such as shape, structure presents to user.As preferred, functional unit 19 can also be according to the number in material data Form the artificial material information meeting user's request according to information emulator.
Applying unit 21 be used for using artificial material data or material data as with reference to or truly produced or tested.
Subscriber unit 23 is used for the material data in this material data management system 10 is used or accessed to go forward side by side Row priority assignation.
As preferred, material data management system 10 further includes material data Standardisation Cell 25, material data Standardisation Cell 25 is used for material data form is standardized, and provides the conversion method between data in different formats and work Tool.
Compared with prior art, the material data management method in the Materials Informatics of the present invention includes:Material data is adopted Collection, the material data of collection includes material experiment data set, material calculates data and material creation data;And material data divides Class, is classified to the material data collecting and is formed corresponding material database;And material data storage, will be through classification Material data afterwards stores;And material data is shared, carries out real-time Transmission to through sorted material data, realizes material Material data sharing;And material data operation, material data is carried out increasing, deletes, change, looking into operation, material data is presented to user. Material data management method in the Materials Informatics of the present invention establishes a kind of complete material information science study method, permissible Preferably clear and definite research direction.
Compared with prior art, the material data management system in the Materials Informatics of the present invention establish one complete Materials Informatics framework, can preferably integrate domain knowledge, merge the different theories of each side, effectively to Materials Informatics Section is planned, promotes the development of material information subject, accelerates the research and development speed of new material.
The foregoing is only presently preferred embodiments of the present invention, not in order to limit the present invention, all former in the present invention Any modification made within then, equivalent and improvement etc. all should comprise within protection scope of the present invention.

Claims (10)

1. the material data management method in a kind of Materials Informatics it is characterised in that:Material number in described Materials Informatics Include according to management method:
Material data gathers, and the material data of collection includes material experiment data, material calculates data and material creation data;And
Material data is classified, and the material data collecting is classified and is formed corresponding material database;And
Material data stores, and will store through sorted material data;And
Material data is shared, and carries out real-time Transmission to through sorted material data, realizes material data and shares;And
Material data operates, and material data is carried out increasing, deletes, change, looking into operation, material data is presented to user.
2. the material data management method in Materials Informatics as claimed in claim 1 it is characterised in that:Described material information Material data management method in further includes:
Material data standardization, is standardized to material data form, and provides the conversion method between data in different formats And instrument.
3. the material data management method in Materials Informatics as claimed in claim 1 it is characterised in that:Described material information Material data management method in further includes:
Material data emulates, and forms, according to the data message emulation in material data, the artificial material information meeting user's request.
4. the material data management method in Materials Informatics as claimed in claim 3 it is characterised in that:Described material information Material data management method in further includes:
Material data is applied, and described artificial material data or material data is sent to user side and for user side reference or carries out True production or experiment.
5. the material data management method in Materials Informatics as claimed in claim 3 it is characterised in that:Described material data The data simulation model that emulation adopts is self-defined phantom, data computation model or Data correction model.
6. the material data management method in Materials Informatics as claimed in claim 1 it is characterised in that:Described material information Material data management method in further includes:
Priority assignation, carries out priority assignation to the user using or accessing the material data in this material data management system, The authority difference that different types of user uses or accesses, the different degrees of material data of opening.
7. the material data management system in a kind of Materials Informatics, it adopts in Materials Informatics as claimed in claim 1 Material data management method it is characterised in that:Material data management system in described Materials Informatics includes:
Material data collecting unit, for capturing material data, the material data of collection includes material experiment data, material calculates Data and material creation data;
Material data taxon, for being classified to the material data collecting and being set up corresponding material database;
Material data shared cell, for carrying out real-time Transmission to through sorted material data;
Material data memory element, for storing through sorted material data;
Functional unit, for carrying out increasing to material data, deleting, change, looking into operation, and material data is presented to user.
8. the material data management system in Materials Informatics as claimed in claim 7 it is characterised in that:Described material information Material data management system in further includes material data Standardisation Cell, and described material data Standardisation Cell is used for Material data form is standardized, and the conversion method between data in different formats and instrument are provided.
9. the material data management system in Materials Informatics as claimed in claim 7 it is characterised in that:Described functional unit The artificial material information meeting user's request is formed according to the data message emulation in material data.
10. the material data management system in Materials Informatics as claimed in claim 9 it is characterised in that:Described material letter Material data management system during breath is learned further includes:
Applying unit, for using artificial material data or material data as with reference to or truly produced or tested;
Subscriber unit, sets for carrying out authority to the user using or accessing the material data in this material data management system Put.
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