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Title: Accelerated Discovery of Large Electrostrains in BaTiO 3 ‐Based Piezoelectrics Using Active Learning

 [1];  [2];  [2];  [1];  [1];  [1];  [1];  [1];  [2]
  1. State Key Laboratory for Mechanical Behavior of Materials Xi'an Jiaotong University Xi'an 710049 China
  2. Theoretical Division Los Alamos National Laboratory Los Alamos NM 87545 USA
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Publisher's Accepted Manuscript
Journal Name:
Advanced Materials
Additional Journal Information:
Journal Name: Advanced Materials Journal Volume: 30 Journal Issue: 7; Journal ID: ISSN 0935-9648
Wiley Blackwell (John Wiley & Sons)
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Yuan, Ruihao, Liu, Zhen, Balachandran, Prasanna V., Xue, Deqing, Zhou, Yumei, Ding, Xiangdong, Sun, Jun, Xue, Dezhen, and Lookman, Turab. Accelerated Discovery of Large Electrostrains in BaTiO 3 ‐Based Piezoelectrics Using Active Learning. Germany: N. p., 2018. Web.
Yuan, Ruihao, Liu, Zhen, Balachandran, Prasanna V., Xue, Deqing, Zhou, Yumei, Ding, Xiangdong, Sun, Jun, Xue, Dezhen, & Lookman, Turab. Accelerated Discovery of Large Electrostrains in BaTiO 3 ‐Based Piezoelectrics Using Active Learning. Germany.
Yuan, Ruihao, Liu, Zhen, Balachandran, Prasanna V., Xue, Deqing, Zhou, Yumei, Ding, Xiangdong, Sun, Jun, Xue, Dezhen, and Lookman, Turab. Mon . "Accelerated Discovery of Large Electrostrains in BaTiO 3 ‐Based Piezoelectrics Using Active Learning". Germany.
title = {Accelerated Discovery of Large Electrostrains in BaTiO 3 ‐Based Piezoelectrics Using Active Learning},
author = {Yuan, Ruihao and Liu, Zhen and Balachandran, Prasanna V. and Xue, Deqing and Zhou, Yumei and Ding, Xiangdong and Sun, Jun and Xue, Dezhen and Lookman, Turab},
abstractNote = {},
doi = {10.1002/adma.201702884},
journal = {Advanced Materials},
number = 7,
volume = 30,
place = {Germany},
year = {2018},
month = {1}

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Works referenced in this record:

Lead-free piezoceramics
journal, October 2004

  • Saito, Yasuyoshi; Takao, Hisaaki; Tani, Toshihiko
  • Nature, Vol. 432, Issue 7013
  • DOI: 10.1038/nature03028

High electrostrictive coefficient Q 33 in lead-free Ba(Zr 0.2 Ti 0.8 )O 3 - x (Ba 0.7 Ca 0.3 )TiO 3 piezoelectric ceramics
journal, December 2014

  • Li, Fei; Jin, Li; Guo, Runping
  • Applied Physics Letters, Vol. 105, Issue 23
  • DOI: 10.1063/1.4904019

Polymorphic structure evolution and large piezoelectric response of lead-free (Ba,Ca)(Zr,Ti)O 3 ceramics
journal, March 2014

  • Tian, Ye; Chao, Xiaolian; Jin, Li
  • Applied Physics Letters, Vol. 104, Issue 11
  • DOI: 10.1063/1.4868414

Origin of the large piezoelectric activity in ( 1 x ) Ba ( Z r 0.2 T i 0.8 ) O 3 x ( B a 0.7 C a 0.3 ) Ti O 3 ceramics
journal, March 2015

Rational Co-Design of Polymer Dielectrics for Energy Storage
journal, May 2016

  • Mannodi-Kanakkithodi, Arun; Treich, Gregory M.; Huan, Tran Doan
  • Advanced Materials, Vol. 28, Issue 30
  • DOI: 10.1002/adma.201600377

Accelerated search for materials with targeted properties by adaptive design
journal, April 2016

  • Xue, Dezhen; Balachandran, Prasanna V.; Hogden, John
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms11241

Ferroelectric, dielectric and piezoelectric properties of ferroelectric thin films and ceramics
journal, September 1998

Phase-Field Models for Microstructure Evolution
journal, August 2002

Thermodynamics of polar anisotropy in morphotropic ferroelectric solid solutions
journal, January 2010

Special points for Brillouin-zone integrations
journal, June 1976

  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502

Transferring lead-free piezoelectric ceramics into application
journal, June 2015

Ferroelectric Ceramics: History and Technology
journal, April 1999

Large Piezoelectric Effect in Pb-Free Ceramics
journal, December 2009

The Illusion of Distribution-Free Small-Sample Classification in Genomics
journal, August 2011

  • R. Dougherty, Edward; Zollanvari, Amin; M. Braga-Neto, Ulisses
  • Current Genomics, Vol. 12, Issue 5
  • DOI: 10.2174/138920211796429763

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
journal, July 2013

  • Jain, Anubhav; Ong, Shyue Ping; Hautier, Geoffroy
  • APL Materials, Vol. 1, Issue 1
  • DOI: 10.1063/1.4812323

High-Speed Electrically Actuated Elastomers with Strain Greater Than 100%
journal, February 2000

Lead-free piezoelectric ceramics: Alternatives for PZT?
journal, February 2007

Elastic, piezoelectric, and dielectric properties of Ba(Zr 0.2 Ti 0.8 )O 3 -50(Ba 0.7 Ca 0.3 )TiO 3 Pb-free ceramic at the morphotropic phase boundary
journal, March 2011

  • Xue, Dezhen; Zhou, Yumei; Bao, Huixin
  • Journal of Applied Physics, Vol. 109, Issue 5
  • DOI: 10.1063/1.3549173

Large electrostrain near the phase transition temperature of (Bi0.5Na0.5)TiO3–SrTiO3 ferroelectric ceramics
journal, June 2008

  • Hiruma, Yuji; Imai, Yoshitaka; Watanabe, Yoshinori
  • Applied Physics Letters, Vol. 92, Issue 26
  • DOI: 10.1063/1.2955533

The high-throughput highway to computational materials design
journal, February 2013

  • Curtarolo, Stefano; Hart, Gus L. W.; Nardelli, Marco Buongiorno
  • Nature Materials, Vol. 12, Issue 3
  • DOI: 10.1038/nmat3568

Accelerated search for BaTiO 3 -based piezoelectrics with vertical morphotropic phase boundary using Bayesian learning
journal, November 2016

  • Xue, Dezhen; Balachandran, Prasanna V.; Yuan, Ruihao
  • Proceedings of the National Academy of Sciences, Vol. 113, Issue 47
  • DOI: 10.1073/pnas.1607412113

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
journal, April 2008

Recent advances in surrogate-based optimization
journal, January 2009

Potassium–Sodium Niobate Lead-Free Piezoelectric Materials: Past, Present, and Future of Phase Boundaries
journal, March 2015

  • Wu, Jiagang; Xiao, Dingquan; Zhu, Jianguo
  • Chemical Reviews, Vol. 115, Issue 7
  • DOI: 10.1021/cr5006809

Enhancement of electric field-induced strain in BaTiO 3 ceramics through grain size optimization : Enhancement of electric field-induced strain in BaTiO
journal, September 2014

  • Tan, Yongqiang; Zhang, Jialiang; Wang, Chunlei
  • physica status solidi (a), Vol. 212, Issue 2
  • DOI: 10.1002/pssa.201431233

Adaptive Strategies for Materials Design using Uncertainties
journal, January 2016

  • Balachandran, Prasanna V.; Xue, Dezhen; Theiler, James
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep19660

Theory of polarization of crystalline solids
journal, January 1993

Rational design of all organic polymer dielectrics
journal, September 2014

  • Sharma, Vinit; Wang, Chenchen; Lorenzini, Robert G.
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms5845

Machine-learning-assisted materials discovery using failed experiments
journal, May 2016

  • Raccuglia, Paul; Elbert, Katherine C.; Adler, Philip D. F.
  • Nature, Vol. 533, Issue 7601
  • DOI: 10.1038/nature17439

Statistical inference and adaptive design for materials discovery
journal, June 2017

  • Lookman, Turab; Balachandran, Prasanna V.; Xue, Dezhen
  • Current Opinion in Solid State and Materials Science, Vol. 21, Issue 3
  • DOI: 10.1016/j.cossms.2016.10.002

Optimal experimental design for materials discovery
journal, March 2017

Giant electric-field-induced strains in lead-free ceramics for actuator applications – status and perspective
journal, May 2012

Temperature-Insensitive (K,Na)NbO 3 -Based Lead-Free Piezoactuator Ceramics
journal, March 2013

  • Wang, Ke; Yao, Fang-Zhou; Jo, Wook
  • Advanced Functional Materials, Vol. 23, Issue 33
  • DOI: 10.1002/adfm.201203754

Giant Strains in Non-Textured (Bi 1/2 Na 1/2 )TiO 3 -Based Lead-Free Ceramics
journal, November 2015

Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory
journal, June 2010

  • Hautier, Geoffroy; Fischer, Christopher C.; Jain, Anubhav
  • Chemistry of Materials, Vol. 22, Issue 12
  • DOI: 10.1021/cm100795d

Materials science: Lead-free at last
journal, October 2004

Relaxor-based ferroelectric single crystals: Growth, domain engineering, characterization and applications
journal, August 2014

Nanograined Half-Heusler Semiconductors as Advanced Thermoelectrics: An Ab Initio High-Throughput Statistical Study
journal, September 2014

  • Carrete, Jesús; Mingo, Natalio; Wang, Shidong
  • Advanced Functional Materials, Vol. 24, Issue 47
  • DOI: 10.1002/adfm.201401201

Large Strain in Relaxor/Ferroelectric Composite Lead-Free Piezoceramics
journal, April 2015

  • Zhang, Haibo; Groh, Claudia; Zhang, Qi
  • Advanced Electronic Materials, Vol. 1, Issue 6
  • DOI: 10.1002/aelm.201500018