Article(id=1319222531312173361, tenantId=1146029695717560320, journalId=1263187385517883426, issueId=1319222524555153701, articleNumber=null, orderNo=null, doi=10.14062/j.issn.0454-5648.20221022, pmid=null, cstr=null, oa=null, hot=null, price=null, onlineType=0, articleFormat=0, articleType=null, articleTypeStr=null, receivedDate=1669478400000, receivedDateStr=2022-11-27, revisedDate=1671897600000, revisedDateStr=2022-12-25, acceptedDate=null, acceptedDateStr=null, onlineDate=1792456761433, onlineDateStr=2026-10-20, pubDate=1676822400000, pubDateStr=2023-02-20, doiRegisterDate=null, doiRegisterDateStr=null, onlineIssueDate=1792456761433, onlineIssueDateStr=2026-10-20, onlineJustAcceptDate=null, onlineJustAcceptDateStr=null, onlineFirstDate=null, onlineFirstDateStr=null, sourceXml=null, magXml=null, createTime=1792456761433, creator=13701087609, updateTime=1792456761433, updator=13701087609, issue=Issue{id=1319222524555153701, tenantId=1146029695717560320, journalId=1263187385517883426, year='2023', volume='51', issue='2', pageStart='283', pageEnd='560', issueExtLink='null', onlineDate='null', pubDate='1676822400000', pubDateStr='2023-02-20', beforeIssueId=null, nextIssueId=null, price=null, status=1, issueComplete=1, articleOrder=1, issueType=-1, specialIssue=0, createTime=1792456759823, creator='13701087609', updateTime=1792456885477, updator='13701087609', preIssue=null, nextIssue=null, articleTotal=null, ext={EN=IssueExt(id=1319223051636560419, tenantId=1146029695717560320, journalId=1263187385517883426, issueId=1319222524555153701, language=EN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=), CN=IssueExt(id=1319223051636560420, tenantId=1146029695717560320, journalId=1263187385517883426, issueId=1319222524555153701, language=CN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=)}, issueFiles=null, downloadFileDto=null}, startPage=411, endPage=415, ext={EN=ArticleExt(id=1319222531500917042, articleId=1319222531312173361, tenantId=1146029695717560320, journalId=1263187385517883426, language=EN, title=Discovering High-Temperature Conventional Superconductors via Machine Learning, columnId=1321891532131652078, journalTitle=Journal of the Chinese Ceramic Society, columnName=Application of Machine Learning in Material Research & Development—Research Articles, runingTitle=null, highlight=null, articleAbstract=

Searching for high-temperature ambient-pressure superconductors is a challenge in materials science. Machine learning has a promising application in materials discovery. A data-driven approach that overcomes low-data limitations by computationally inexpensive descriptors based on the Bardeen-Cooper-Schrieffer (BCS) theory and semi-supervised learning was proposed. The accuracy of the classification mode is 72%. This approach can screen over 10 000 binary and ternary BCS compounds in the Material Project database, thus identifying some promising superconductors at ambient pressure. The compounds in B-C and B-C-N systems have a maximum superconducting critical temperature (TC) of 60 K, which is greater than that for MgB2 (i.e., TC=39 K)

, authors=Zhiqiang CUI1, Ying LUO1, Yunwei ZHANG1, 2, authorsList=Zhiqiang CUI, Ying LUO, Yunwei ZHANG, authorCompany=null, correspAuthors=Yunwei ZHANG, authorNote=

CUI Zhiqiang (1977-), male, Master candidate. E-mail:

, correspAuthorsNote=
ZHANG Yunwei (1989-), female, Ph.D., Associate Professor. E-mail:
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在常压下寻找新型高温超导材料是物理和材料领域共同关注的热点问题。近年来,机器学习技术和大数据成功地解决了材料特性与复杂物理因素之间关系建模的难题,在新型材料的优化设计中获得了重要应用。然而利用机器学习在材料数据库中寻找常规Bardeen-Cooper-Schrieffer(BCS)超导材料,存在可用数据量少的问题,导致设计出的超导材料种类少,结构构型单一。结合BCS超导理论和半监督学习方法,发展了神经网络模型预测BCS超导体。通过充分利用材料数据库中大量的无标签数据,即未知超导温度但已知电子结构的晶体材料,使得训练出的分类模型准确性达72%。模型预测出数十种可常压下存在的新型BCS超导材料,其中B-C和B-C-N体系的超导温度最高可达约60 K,高于MgB2的39 K超导纪录。

, authors=崔志强1, 罗颖1, 张云蔚1, 2, authorsList=崔志强, 罗颖, 张云蔚, authorCompany=null, correspAuthors=张云蔚, authorNote=

崔志强(1997—),男,硕士研究生。

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张云蔚(1989—),女,博士,副教授。
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通过机器学习设计新型超导材料
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崔志强 1 , 罗颖 1 , 张云蔚 1, 2
硅酸盐学报 | 机器学习在材料研发中的应用专题—研究论文 2023,51(2): 411-415
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硅酸盐学报 |机器学习在材料研发中的应用专题—研究论文 2023 , 51 (2) : 411 -415
通过机器学习设计新型超导材料
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崔志强1 , 罗颖1, 张云蔚1, 2
作者信息
  • 1.中山大学物理学院,广州 510275
  • 2.广东省磁电物性分析与器件重点实验室,广州 510275
通讯作者:
张云蔚(1989—),女,博士,副教授。
作者简介:

崔志强(1997—),男,硕士研究生。

Discovering High-Temperature Conventional Superconductors via Machine Learning
Zhiqiang CUI1 , Ying LUO1, Yunwei ZHANG1, 2
Affiliations
  • 1.School of Physics, Sun Yat-sen University, Guangzhou 510275, China
  • 2.Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices, Sun Yat-sen University, Guangzhou 510275, China
  • Corresponding Author:
    ZHANG Yunwei (1989-), female, Ph.D., Associate Professor. E-mail:

    CUI Zhiqiang (1977-), male, Master candidate. E-mail:

出版时间: 2023-02-20 doi: 10.14062/j.issn.0454-5648.20221022
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在常压下寻找新型高温超导材料是物理和材料领域共同关注的热点问题。近年来,机器学习技术和大数据成功地解决了材料特性与复杂物理因素之间关系建模的难题,在新型材料的优化设计中获得了重要应用。然而利用机器学习在材料数据库中寻找常规Bardeen-Cooper-Schrieffer(BCS)超导材料,存在可用数据量少的问题,导致设计出的超导材料种类少,结构构型单一。结合BCS超导理论和半监督学习方法,发展了神经网络模型预测BCS超导体。通过充分利用材料数据库中大量的无标签数据,即未知超导温度但已知电子结构的晶体材料,使得训练出的分类模型准确性达72%。模型预测出数十种可常压下存在的新型BCS超导材料,其中B-C和B-C-N体系的超导温度最高可达约60 K,高于MgB2的39 K超导纪录。

高温超导  /  半监督学习  /  材料设计  /  神经网络

Searching for high-temperature ambient-pressure superconductors is a challenge in materials science. Machine learning has a promising application in materials discovery. A data-driven approach that overcomes low-data limitations by computationally inexpensive descriptors based on the Bardeen-Cooper-Schrieffer (BCS) theory and semi-supervised learning was proposed. The accuracy of the classification mode is 72%. This approach can screen over 10 000 binary and ternary BCS compounds in the Material Project database, thus identifying some promising superconductors at ambient pressure. The compounds in B-C and B-C-N systems have a maximum superconducting critical temperature (TC) of 60 K, which is greater than that for MgB2 (i.e., TC=39 K)

high-temperature superconductors  /  semi-supervised learning  /  materials design  /  neural networks
崔志强, 罗颖, 张云蔚. 通过机器学习设计新型超导材料. 硅酸盐学报, 2023 , 51 (2) : 411 -415 . DOI: 10.14062/j.issn.0454-5648.20221022
Zhiqiang CUI, Ying LUO, Yunwei ZHANG. Discovering High-Temperature Conventional Superconductors via Machine Learning[J]. Journal of the Chinese Ceramic Society, 2023 , 51 (2) : 411 -415 . DOI: 10.14062/j.issn.0454-5648.20221022
  • 广东省磁电物性分析与器件重点实验室开放课题(2022B1212010008)
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doi: 10.14062/j.issn.0454-5648.20221022
  • 接收时间:2022-11-27
  • 首发时间:2026-10-20
  • 出版时间:2023-02-20
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  • 收稿日期:2022-11-27
  • 修回日期:2022-12-25
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广东省磁电物性分析与器件重点实验室开放课题(2022B1212010008)
作者信息
    1.中山大学物理学院,广州 510275
    2.广东省磁电物性分析与器件重点实验室,广州 510275

通讯作者:

张云蔚(1989—),女,博士,副教授。
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2种不同金属材料的力学参数
科
Family
属数
Number of
genus
种数
Number of
species
占总种数比例
Percentage of
total species (%)
属
Genus
种数
Number of
species
占总种数比例
Percentage of total
species (%)
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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