Article(id=1322943314793734501, tenantId=1146029695717560320, journalId=1263187385517883426, issueId=1322942634976752425, articleNumber=null, orderNo=null, doi=10.14062/j.issn.0454-5648.20210066, pmid=null, cstr=null, oa=null, hot=null, price=null, onlineType=0, articleFormat=0, articleType=null, articleTypeStr=null, receivedDate=1611158400000, receivedDateStr=2021-01-21, revisedDate=1611763200000, revisedDateStr=2021-01-28, acceptedDate=null, acceptedDateStr=null, onlineDate=1793343865344, onlineDateStr=2026-10-30, pubDate=1626710400000, pubDateStr=2021-07-20, doiRegisterDate=null, doiRegisterDateStr=null, onlineIssueDate=1793343865344, onlineIssueDateStr=2026-10-30, onlineJustAcceptDate=null, onlineJustAcceptDateStr=null, onlineFirstDate=null, onlineFirstDateStr=null, sourceXml=null, magXml=null, createTime=1793343865344, creator=13701087609, updateTime=1793343865344, updator=13701087609, issue=Issue{id=1322942634976752425, tenantId=1146029695717560320, journalId=1263187385517883426, year='2021', volume='49', issue='7', pageStart='1249', pageEnd='1518', issueExtLink='null', onlineDate='null', pubDate='1626710400000', pubDateStr='2021-07-20', beforeIssueId=null, nextIssueId=null, price=null, status=1, issueComplete=1, articleOrder=1, issueType=-1, specialIssue=null, createTime=1793343703264, creator='13701087609', updateTime=1793345819416, updator='13701087609', preIssue=null, nextIssue=null, articleTotal=null, ext={EN=IssueExt(id=1322951510828659213, tenantId=1146029695717560320, journalId=1263187385517883426, issueId=1322942634976752425, language=EN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=), CN=IssueExt(id=1322951510828659214, tenantId=1146029695717560320, journalId=1263187385517883426, issueId=1322942634976752425, language=CN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=)}, issueFiles=null, downloadFileDto=null}, startPage=1347, endPage=1358, ext={EN=ArticleExt(id=1322943314995061094, articleId=1322943314793734501, tenantId=1146029695717560320, journalId=1263187385517883426, language=EN, title=Computational Simulation of Interface Functional Design of Clay Mineral Materials, columnId=1322942641213682516, journalTitle=Journal of the Chinese Ceramic Society, columnName=Special Issue on Mineral Material, runingTitle=null, highlight=null, articleAbstract=

Systematic studying the relationship between microstructure and properties of clay mineral materials at the atomic and electronic scales has become an important trend. In this paper, the research progress in computational simulation of surface/interface of mineral materials is reviewed, covering three directions, i.e., interface recombination, surface modification and structural modification. The relevant contents about atomic and electronic micromechanisms are summarized, while the challenges and future development direction of mineral material functional design are prospected.

, authors=Liangjie FU, Tianyu LIU, Huaming YANG, authorsList=Liangjie FU, Tianyu LIU, Huaming YANG, authorCompany=null, correspAuthors=null, authorNote=, correspAuthorsNote=null, copyrightStatement=null, copyrightOwner=null, extLink=null, articleAbsUrl=null, sourceXml=null, magXml=null, pdfUrl=null, pdf=null, pdfFileSize=null, pdfExtLink=null, richHtmlUrl=null, mobilePdfUrl=null, reviewReport=null, pdfFirstPage=null, abstractGraph=null, abstractGraphContent=null, abstractVideo=null, citation=null, cebUrl=null, magXmlContent=null, mapNumber=null, fund=null), CN=ArticleExt(id=1322943315242525031, articleId=1322943314793734501, tenantId=1146029695717560320, journalId=1263187385517883426, language=CN, title=黏土矿物材料表界面功能设计的计算模拟, columnId=1322942641389843286, journalTitle=硅酸盐学报, columnName=矿物材料专题, runingTitle=null, highlight=null, articleAbstract=

从原子、电子层次深入研究矿物材料的表界面功能设计，将是本领域的一个重要研究趋势。综述了矿物材料表界面计算模拟的研究进展，归纳了界面复合、表面改性和结构改型等3个研究方向，概述了其中原子、电子层次微观机制的相关内容，并对矿物材料功能设计面临的挑战和未来发展进行总结和展望。

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傅梁杰（1982—），男，博士，副教授。

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