Article(id=1242133430654284561, tenantId=1146029695717560320, journalId=1146031591421210625, issueId=1242133413642187482, articleNumber=null, orderNo=7, doi=10.3981/j.issn.1000-7857.2015.10.005, pmid=null, cstr=null, oa=null, hot=null, price=null, onlineType=0, articleFormat=0, articleType=null, articleTypeStr=null, receivedDate=1428595200000, receivedDateStr=2015-04-10, revisedDate=1429459200000, revisedDateStr=2015-04-20, acceptedDate=null, acceptedDateStr=null, onlineDate=1432628855217, onlineDateStr=2015-05-26, pubDate=1432742400000, pubDateStr=2015-05-28, doiRegisterDate=null, doiRegisterDateStr=null, onlineIssueDate=1432628855217, onlineIssueDateStr=2015-05-26, onlineJustAcceptDate=null, onlineJustAcceptDateStr=null, onlineFirstDate=null, onlineFirstDateStr=null, sourceXml=null, magXml=null, createTime=1774077287587, creator=sys-migrate, updateTime=1774077287587, updator=sys-migrate, issue=Issue{id=1242133413642187482, tenantId=1146029695717560320, journalId=1146031591421210625, year='2015', volume='33', issue='10', pageStart='1', pageEnd='128', issueExtLink='null', onlineDate='null', pubDate='1432742400000', pubDateStr='2015-05-28', beforeIssueId=null, nextIssueId=null, price=null, status=1, issueComplete=1, articleOrder=3, issueType=-1, specialIssue=null, createTime=1774077283531, creator='sys-migrate', updateTime=1774077283531, updator='sys-migrate', preIssue=null, nextIssue=null, articleTotal=null, ext=null, issueFiles=null, downloadFileDto=null}, startPage=60, endPage=63, ext={EN=ArticleExt(id=1242133434924081963, articleId=1242133430654284561, tenantId=1146029695717560320, journalId=1146031591421210625, language=EN, title=Materials-genome approach speeds up optimization of thermoelectric materials, columnId=1150494642224591153, journalTitle=Science & Technology Review, columnName=Exclusive, runingTitle=null, highlight=null, articleAbstract=The method of Materials Genome Initiative greatly speeds up the optimization of thermoelectric materials. Based on theoretical calculations and materials' database, this approach rapidly finds out the important factors that affect materials' properties, which can be used in the study of current materials by providing helpful directions and guidance. In this work, filled skutterudites and diamond-like compounds were selected as two examples to demonstrate how Materials Genome Initiative speeds up the optimization of thermoelectric properties. Starting from perspectivesof electron and phonon transport, this method can easily find out a few best chemical compositions from hundreds (or thousands) of possibilities to realize high thermoelectric performance. This work demonstrates that thermoelectric material is a typical example that can use the materials genome approachto speed up experimental study., authors=SHI Xun1 , YANG Jiong2 , CHEN Lidong1 , YANG Jihui2 , ZHANG Wenqing1,3 , authorsList=SHI Xun, YANG Jiong, CHEN Lidong, YANG Jihui, ZHANG Wenqing, authorCompany=1. State Key Laboratory of High Performance Ceramics and Superfine Microstructure; Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China;1 , 杨炯2 , 陈立东1 , 杨继辉2 , 张文清1,3 , authorsList=史迅, 杨炯, 陈立东, 杨继辉, 张文清, authorCompany=1. 中国科学院上海硅酸盐研究所;高性能陶瓷和超微结构国家重点实验室, 上海200050;
科技导报
| 专题论文 2015, 33(10): 60-63
“材料基因组”方法加速热电材料性能优化
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史迅1 , 杨炯2 , 陈立东1 , 杨继辉2 , 张文清1,3
作者信息
1. 中国科学院上海硅酸盐研究所;高性能陶瓷和超微结构国家重点实验室, 上海200050;
通讯作者:
张文清,研究员,研究方向为第一性原理计算,电子信箱:wqzhang@mail.sic.ac.cn;陈立东,研究员,研究方向为热电材料与器件,电子信箱:cld@mail.sic.ac.cn
Materials-genome approach speeds up optimization of thermoelectric materials
Affiliations
出版时间: 2015-05-28
doi: 10.3981/j.issn.1000-7857.2015.10.005
文章导航
通过材料计算、数据库技术的整合与协同,可以快速甄别决定材料性能的基本关键因素,将这种方法用于材料的性能优化和新材料的设计,可以实现科学化"系统寻优"的材料基因组方法,显著加快热电材料的设计与性能优化。以填充方钴矿材料和类金刚石结构化合物为例,从电子和声子优化的不同角度,采用材料基因组方法从成百上千种可能性中快速筛选和制备出高性能热电材料,展示了材料基因组方法可显著加速热电材料研究的能力。
材料基因组
/
热电材料
/
填充方钴矿
/
类金刚石结构化合物
The method of Materials Genome Initiative greatly speeds up the optimization of thermoelectric materials. Based on theoretical calculations and materials' database, this approach rapidly finds out the important factors that affect materials' properties, which can be used in the study of current materials by providing helpful directions and guidance. In this work, filled skutterudites and diamond-like compounds were selected as two examples to demonstrate how Materials Genome Initiative speeds up the optimization of thermoelectric properties. Starting from perspectivesof electron and phonon transport, this method can easily find out a few best chemical compositions from hundreds (or thousands) of possibilities to realize high thermoelectric performance. This work demonstrates that thermoelectric material is a typical example that can use the materials genome approachto speed up experimental study.
materials genome initiative
/
thermoelectric material
/
filled skutterudite
/
diamond-like compounds
史迅, 杨炯, 陈立东, 杨继辉, 张文清.
“材料基因组”方法加速热电材料性能优化.
科技导报,
2015
, 33
(10)
: 60
-63
.
DOI: 10.3981/j.issn.1000-7857.2015.10.005
SHI Xun, YANG Jiong, CHEN Lidong, YANG Jihui, ZHANG Wenqing.
Materials-genome approach speeds up optimization of thermoelectric materials[J].
Science & Technology Review ,
2015
, 33
(10)
: 60
-63
.
DOI: 10.3981/j.issn.1000-7857.2015.10.005
2015年第33卷第10期
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文章信息
doi: 10.3981/j.issn.1000-7857.2015.10.005
接收时间：2015-04-10
首发时间：2015-05-26
出版时间：2015-05-28
收稿日期：2015-04-10
修回日期：2015-04-20
通讯作者:
张文清,研究员,研究方向为第一性原理计算,电子信箱:wqzhang@mail.sic.ac.cn;陈立东,研究员,研究方向为热电材料与器件,电子信箱:cld@mail.sic.ac.cn
https://castjournals.cast.org.cn/joweb/kjdb/CN/10.3981/j.issn.1000-7857.2015.10.005
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2种不同金属材料的力学参数
科 属数 种数 占总种数比例 属 种数 占总种数比例 鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78 小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39 多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39 红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87 小菇属 Mycena 11 5.26 光柄菇属 Pluteus 5 2.39 红菇属 Russula 17 8.13 栓菌属 Trametes 5 2.39
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