Design of new perovskite-type oxide ferroelectric materials within data science paradigm

  • YU Jian ,
  • CHU Junhao
  • 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

Received date: 2018-04-11

  Revised date: 2018-10-15

  Online published: 2019-06-20


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.

Cite this article

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


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