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Design of new perovskite-type oxide ferroelectric materials within data science paradigm
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Science & Technology Review | 2019, 37(11) : 71 - 81
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Science & Technology Review | 2019, 37(11): 71-81
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Design of new perovskite-type oxide ferroelectric materials within data science paradigm
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YU Jian1, CHU Junhao1,2
Affiliations
    1. Institute of Functional Materials, Donghua University, Shanghai 201620, China;
    2. National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences, Shanghai 200092, China
Published: 2019-06-13 doi: 10.3981/j.issn.1000-7857.2019.11.009
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The materials genome initiative (MGI) issued in 2011 convokes a new paradigm of data science complementing with empirical observation, theoretical model and computation simulation, and comprehensively integrates computing, experimental and theoretical methods to produce and deal with big-data under the framework of system engineering of material science. Thereafter, the relationships between properties and material genome (composition and structure of atom systems), processing parameters and service conditions are mined out of data for designing and deployment of new material in accordance with the desired goal. In this article, research paradigms, MGI and system engineering of material science are briefly introduced. Then how to design new materials within data science paradigm is presented in detail through an example in the field of perovskite-type oxide ferroelectric piezoceramics. Finally the result demonstrates that the method of data-mining driven designing within data science paradigm is able to reduce time-to-insight and human effort on synthesis, thus accelerating new materials discovery and deployment.
data science paradigm  /  material genome approach  /  data-mining  /  perovskite-type oxides  /  ferroelectric piezoceramics
于剑, 褚君浩. 数据科学范式下的钙钛矿结构铁电新材料研究. 科技导报, 2019 , 37 (11) : 71 -81 . DOI: 10.3981/j.issn.1000-7857.2019.11.009
YU Jian, CHU Junhao. Design of new perovskite-type oxide ferroelectric materials within data science paradigm[J]. Science & Technology Review, 2019 , 37 (11) : 71 -81 . DOI: 10.3981/j.issn.1000-7857.2019.11.009
Year 2019 volume 37 Issue 11
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doi: 10.3981/j.issn.1000-7857.2019.11.009
  • Receive Date:2018-04-11
  • Online Date:2019-06-20
  • Published:2019-06-13
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  • Received:2018-04-11
  • Revised:2018-10-15
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表12种不同金属材料的力学参数

Family
属数
Number of
genus
种数
Number of
species
占总种数比例
Percentage of
total species (%)

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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