本文選題：材料信息學 + 基礎理論　； 參考：《電子科技大學》2017年碩士論文

【摘要】：信息學是21世紀興起的熱門學科,信息技術(shù)在傳統(tǒng)學科的應用,變革了傳統(tǒng)學科的研究模式,加速了傳統(tǒng)學科的發(fā)展,并產(chǎn)生了諸多新興學科如生物信息學和化學信息學等。隨著材料基因組計劃的實施、材料計算科學的發(fā)展以及高通量技術(shù)的不斷普及,材料基礎數(shù)據(jù)量急劇增加,對材料數(shù)據(jù)進行系統(tǒng)化管理的需求日趨緊迫。工業(yè)的飛速發(fā)展對所需的材料性能要求逐漸變高,在傳統(tǒng)材料研究模式周期較長且急需轉(zhuǎn)變材料研發(fā)模式的現(xiàn)狀下,將先進的信息技術(shù)應用到新材料的研發(fā)中,通過對材料基礎數(shù)據(jù)進行分析、挖掘、并建立預測模型,將進一步加速新材料的研究進程,材料信息學應運而生。作為一門新的交叉學科,材料信息學的發(fā)展面臨著前所未有的機遇和挑戰(zhàn)。結(jié)合材料信息學的研究現(xiàn)狀可知,材料信息學尚未有完整的理論架構(gòu)體系。為了實現(xiàn)對材料信息學學科基礎理論系統(tǒng)的建立,促進材料信息學理論架構(gòu)的實現(xiàn),本文的主要研究內(nèi)容如下:1、研究了材料信息學學科的基礎理論。主要分析了材料基因組技術(shù)和人類基因組技術(shù)的相似之處,借鑒生物信息學對材料信息學進行研究,提出了學科的定義、分析了學科的內(nèi)涵、介紹了學科的主要研究內(nèi)容,最后對材料信息學的發(fā)展趨勢進行了分析。2、提出了材料信息學的理論架構(gòu)。結(jié)合對材料信息學的研究理解,分析其工作流程,即數(shù)據(jù)生產(chǎn)、數(shù)據(jù)采集、數(shù)據(jù)存儲、數(shù)據(jù)處理、數(shù)據(jù)呈現(xiàn),揭示了工作流程和材料領域的知識體系之間的關(guān)系。研究了材料信息學的基本功能架構(gòu),包括數(shù)字化材料設計和材料數(shù)據(jù)庫的基本功能。提出了較為完整的材料信息學理論架構(gòu),包括設備層、數(shù)據(jù)層、存儲層、網(wǎng)絡層、功能層、應用層、用戶層,并對此七個層次進行了詳細的研究和介紹。3、研究了材料信息學理論架構(gòu)的實現(xiàn)載體即材料基因協(xié)同創(chuàng)新網(wǎng)絡的架構(gòu)。首先,對材料基因協(xié)同創(chuàng)新網(wǎng)絡的內(nèi)涵和數(shù)據(jù)流程進行了分析。其次,研究了材料基因協(xié)同創(chuàng)新網(wǎng)絡的架構(gòu)體系即云-網(wǎng)-端架構(gòu),分析每一部分的重要組成。最后,對材料基因協(xié)同創(chuàng)新網(wǎng)絡的發(fā)展規(guī)律和網(wǎng)絡實現(xiàn)所需的關(guān)鍵技術(shù)做以介紹。材料基因協(xié)同創(chuàng)新網(wǎng)絡遵循網(wǎng)絡發(fā)展的規(guī)律“梅特卡夫定律”,其發(fā)展符合網(wǎng)絡價值隨著網(wǎng)絡用戶數(shù)量的增長呈指數(shù)級增長的發(fā)展規(guī)律。4、實現(xiàn)了材料數(shù)據(jù)的信息化采集工具即實驗寶軟件。首先,介紹了實驗寶的總體設計架構(gòu);其次,對實驗寶前端和后臺服務器的交互進行了研究,包含API接口介紹和數(shù)據(jù)傳輸格式JSON格式介紹;最后,針對實驗寶的主要功能模塊的設計和實現(xiàn)流程進行了詳細介紹。
[Abstract]:Informatics is a hot subject rising in the 21st century. The application of information technology in traditional disciplines has changed the research mode of traditional disciplines, accelerated the development of traditional disciplines, and produced many new disciplines such as bioinformatics and chemical informatics.With the implementation of the material genome project, the development of material computing science and the popularization of high-throughput technology, the amount of material basic data increases rapidly, and the need for systematic management of material data becomes more and more urgent.With the rapid development of industry, the requirement of material performance becomes higher and higher gradually. Under the condition of long period of traditional material research mode and urgent need to change the material research mode, advanced information technology is applied to the research and development of new materials.By analyzing, mining and building prediction model of material basic data, the research process of new materials will be further accelerated, and material informatics will emerge as the times require.As a new interdisciplinary subject, the development of material informatics is facing unprecedented opportunities and challenges.According to the current situation of material informatics, there is no complete theoretical framework of material informatics.In order to establish the basic theory system of material informatics and promote the realization of material informatics, the main contents of this paper are as follows: 1. The basic theory of material informatics is studied.This paper mainly analyzes the similarities between material genome technology and human genome technology, uses bioinformatics for reference to study material informatics, puts forward the definition of subject, analyzes the connotation of subject, and introduces the main research contents of subject.Finally, the development trend of material informatics is analyzed, and the theoretical framework of material informatics is put forward.Based on the research and understanding of material informatics, this paper analyzes the relationship between the workflow and the knowledge system in the field of materials, that is, data production, data collection, data storage, data processing and data presentation.The basic functional framework of material informatics, including the design of digital materials and the basic functions of material database, is studied.A complete theoretical framework of material informatics is proposed, including device layer, data layer, storage layer, network layer, function layer, application layer, user layer.At the same time, the seven levels are studied and introduced in detail, and the framework of material gene collaborative innovation network (MGCIAN) is studied in detail, which is the realization of the theoretical framework of material informatics.Firstly, the connotation and data flow of material gene collaborative innovation network are analyzed.Secondly, the architecture of material gene collaborative innovation network, namely cloud-net-end architecture, is studied, and the important components of each part are analyzed.Finally, the development rule of material gene collaborative innovation network and the key technologies needed to realize the network are introduced.Material gene collaborative innovation network follows the law of network development, "Metcalfe's law".Its development accords with the law that the value of network increases exponentially with the increase of the number of network users. It realizes the information-based acquisition tool of material data, that is, the experimental treasure software.First of all, it introduces the overall design framework of experimental treasure. Secondly, the interaction between the front end of experimental treasure and background server is studied, including the introduction of API interface and JSON format of data transmission format.The design and implementation flow of main function modules of experimental treasure are introduced in detail.
【學位授予單位】：電子科技大學
【學位級別】：碩士
【學位授予年份】：2017
【分類號】：TB30;TP311.52

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