DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: A universal symmetry criterion for the design of high performance ferroic materials

Abstract

The symmetry of a crystal has profound effects on its physical properties and so does symmetry-breaking on the characteristics of a phase transition from one crystal structure to another. For an important class of smart materials, the ferroics, their functionality and performance are associated with cycles of transitions from multiple structural states of one phase to those of the other. Using group and graph theories, we construct phase transition graph (PTG) and show that both the functionality and performance of ferroics are dictated by the topology of their PTGs. In particular, we demonstrate how the giant piezoelectricity in ferroelectrics and the functional fatigue in shape memory alloys (SMAs) are related to their unique PTG topological features. Using PTG topology as a guide, we evaluate systematically new systems potentially having giant piezoelectricities and giant electro- and magneto-strictions and discuss the design strategies for high performance SMAs with much improved functional fatigue resistance.

Authors:
ORCiD logo [1];  [1];  [1]
  1. The Ohio State Univ., Columbus, OH (United States). Dept. of Materials Science and Engineering
Publication Date:
Research Org.:
The Ohio State Univ., Columbus, OH (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1533467
Alternate Identifier(s):
OSTI ID: 1418380
Grant/Contract Number:  
SC0001258; DMR-1410322
Resource Type:
Accepted Manuscript
Journal Name:
Acta Materialia
Additional Journal Information:
Journal Volume: 127; Journal ID: ISSN 1359-6454
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; phase transition; crystal symmetry; transition path; ferroelectric; shape memory alloys

Citation Formats

Gao, Yipeng, Dregia, Suliman A., and Wang, Yunzhi. A universal symmetry criterion for the design of high performance ferroic materials. United States: N. p., 2017. Web. doi:10.1016/j.actamat.2017.01.037.
Gao, Yipeng, Dregia, Suliman A., & Wang, Yunzhi. A universal symmetry criterion for the design of high performance ferroic materials. United States. https://doi.org/10.1016/j.actamat.2017.01.037
Gao, Yipeng, Dregia, Suliman A., and Wang, Yunzhi. Mon . "A universal symmetry criterion for the design of high performance ferroic materials". United States. https://doi.org/10.1016/j.actamat.2017.01.037. https://www.osti.gov/servlets/purl/1533467.
@article{osti_1533467,
title = {A universal symmetry criterion for the design of high performance ferroic materials},
author = {Gao, Yipeng and Dregia, Suliman A. and Wang, Yunzhi},
abstractNote = {The symmetry of a crystal has profound effects on its physical properties and so does symmetry-breaking on the characteristics of a phase transition from one crystal structure to another. For an important class of smart materials, the ferroics, their functionality and performance are associated with cycles of transitions from multiple structural states of one phase to those of the other. Using group and graph theories, we construct phase transition graph (PTG) and show that both the functionality and performance of ferroics are dictated by the topology of their PTGs. In particular, we demonstrate how the giant piezoelectricity in ferroelectrics and the functional fatigue in shape memory alloys (SMAs) are related to their unique PTG topological features. Using PTG topology as a guide, we evaluate systematically new systems potentially having giant piezoelectricities and giant electro- and magneto-strictions and discuss the design strategies for high performance SMAs with much improved functional fatigue resistance.},
doi = {10.1016/j.actamat.2017.01.037},
journal = {Acta Materialia},
number = ,
volume = 127,
place = {United States},
year = {Mon Mar 06 00:00:00 EST 2017},
month = {Mon Mar 06 00:00:00 EST 2017}
}

Journal Article:

Citation Metrics:
Cited by: 24 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Group-theoretical considerations concerning domain formation in ordered alloys
journal, May 1974


Crystallographic description of coincidence-site lattice interfaces in homogeneous crystals
journal, November 1979


Group theory description of transformation pathway degeneracy in structural phase transformations
journal, May 2016


Applications of Modern Ferroelectrics
journal, February 2007


Oligocrystalline Shape Memory Alloys
journal, March 2012

  • Ueland, Stian M.; Chen, Ying; Schuh, Christopher A.
  • Advanced Functional Materials, Vol. 22, Issue 10
  • DOI: 10.1002/adfm.201103019

Crystal symmetry and the reversibility of martensitic transformations
journal, March 2004

  • Bhattacharya, Kaushik; Conti, Sergio; Zanzotto, Giovanni
  • Nature, Vol. 428, Issue 6978
  • DOI: 10.1038/nature02378

Origin of morphotropic phase boundaries in ferroelectrics
journal, January 2008

  • Ahart, Muhtar; Somayazulu, Maddury; Cohen, R. E.
  • Nature, Vol. 451, Issue 7178
  • DOI: 10.1038/nature06459

Finite-Temperature Properties of Rare-Earth-Substituted BiFeO 3 Multiferroic Solid Solutions
journal, December 2014

  • Xu, Bin; Wang, Dawei; Íñiguez, Jorge
  • Advanced Functional Materials, Vol. 25, Issue 4
  • DOI: 10.1002/adfm.201403811

Polarization rotation mechanism for ultrahigh electromechanical response in single-crystal piezoelectrics
journal, January 2000

  • Fu, Huaxiang; Cohen, Ronald E.
  • Nature, Vol. 403, Issue 6767
  • DOI: 10.1038/35002022

The mechanical behavior dependence on the TiB whisker realignment during hot-working in titanium matrix composites
journal, October 2016

  • Ma, Fengcang; Liu, Ping; Li, Wei
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep36126

The giant electromechanical response in ferroelectric relaxors as a critical phenomenon
journal, June 2006


Giant magnetostriction in annealed Co1−xFex thin-films
journal, September 2011

  • Hunter, Dwight; Osborn, Will; Wang, Ke
  • Nature Communications, Vol. 2, Issue 1
  • DOI: 10.1038/ncomms1529

Effects of tricritical points and morphotropic phase boundaries on the piezoelectric properties of ferroelectrics
journal, May 2011


Engineering of Self-Assembled Domain Architectures with Ultra-high Piezoelectric Response in Epitaxial Ferroelectric Films
journal, August 2007

  • Ouyang, J.; Slusker, J.; Levin, I.
  • Advanced Functional Materials, Vol. 17, Issue 13
  • DOI: 10.1002/adfm.200600823

Structural and functional fatigue of NiTi shape memory alloys
journal, July 2004


Low temperature creep of hot-extruded near-stoichiometric NiTi shape memory alloy part II: Effect of thermal cycling
journal, October 2013


The symmetry of martensites
journal, July 1977


Low-Symmetry Monoclinic Phases and Polarization Rotation Path Mediated by Epitaxial Strain in Multiferroic BiFeO3 Thin Films
journal, November 2010

  • Chen, Zuhuang; Luo, Zhenlin; Huang, Chuanwei
  • Advanced Functional Materials, Vol. 21, Issue 1
  • DOI: 10.1002/adfm.201001867

Large Magnetostriction from Morphotropic Phase Boundary in Ferromagnets
journal, May 2010


Crystal structure and chemical constitution
journal, January 1929


Investigation of Localized States in GaAsSb Epilayers Grown by Molecular Beam Epitaxy
journal, July 2016

  • Gao, Xian; Wei, Zhipeng; Zhao, Fenghuan
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep29112

Large piezoelectricity and dielectric permittivity in BaTiO 3 -xBaSnO 3 system: The role of phase coexisting
journal, April 2012


Mechanical properties and strengthening effects of in situ (TiB+TiC)/Ti-1100 composite at elevated temperatures
journal, January 2016


Physical metallurgy of Ti–Ni-based shape memory alloys
journal, July 2005


Impurities block the α to ω martensitic transformation in titanium
journal, January 2005

  • Hennig, Richard G.; Trinkle, Dallas R.; Bouchet, Johann
  • Nature Materials, Vol. 4, Issue 2
  • DOI: 10.1038/nmat1292

Finding transition states for crystalline solid-solid phase transformations
journal, April 2005

  • Caspersen, K. J.; Carter, E. A.
  • Proceedings of the National Academy of Sciences, Vol. 102, Issue 19
  • DOI: 10.1073/pnas.0408127102

The crystallography of martensite transformations II
journal, January 1954


Crystal structures and shape-memory behaviour of NiTi
journal, April 2003

  • Huang, Xiangyang; Ackland, Graeme J.; Rabe, Karin M.
  • Nature Materials, Vol. 2, Issue 5
  • DOI: 10.1038/nmat884

Austenite grain refinement during load-biased thermal cycling of a Ni49.9Ti50.1 shape memory alloy
journal, June 2015


Study of Martensitic Phase Transformation in a NiTiCu Thin-Film Shape-Memory Alloy Using Photoelectron Emission Microscopy
journal, January 2007

  • Cai, M.; Langford, S. C.; Wu, M.
  • Advanced Functional Materials, Vol. 17, Issue 1
  • DOI: 10.1002/adfm.200600611

Dependence of Transformation Temperatures of NiTi-based Shape-Memory Alloys on the Number and Concentration of Valence Electrons
journal, September 2008


Effect of thermal cycling on the transformation temperatures of TiNi alloys
journal, October 1986


Effects of thermal cycling on microstructure and properties in Nitinol
journal, January 2012


Elastic modulus of shape-memory NiTi from in situ neutron diffraction during macroscopic loading, instrumented indentation, and extensometry
journal, February 2005

  • Rajagopalan, S.; Little, A. L.; Bourke, M. A. M.
  • Applied Physics Letters, Vol. 86, Issue 8
  • DOI: 10.1063/1.1863437

Current issues in recrystallization: a review
journal, November 1997


On the crystallographic reversibility of martensitic transformations
journal, September 1977


P-phase precipitation and its effect on martensitic transformation in (Ni,Pt)Ti shape memory alloys
journal, February 2012


Ni4Ti3-precipitation during aging of NiTi shape memory alloys and its influence on martensitic phase transformations
journal, October 2002


Giant Nonhysteretic Responses of Two-Phase Nanostructured Alloys
journal, March 2011


An origin of functional fatigue of shape memory alloys
journal, March 2017


Works referencing / citing this record:

Phase Transformation Graph and Transformation Pathway Engineering for Shape Memory Alloys
journal, February 2020


Making metals linear super-elastic with ultralow modulus and nearly zero hysteresis
journal, January 2019

  • Zhu, Jiaming; Gao, Yipeng; Wang, Dong
  • Materials Horizons, Vol. 6, Issue 3
  • DOI: 10.1039/c8mh01141a

Recent progress of spintronics based on emerging 2D materials: CrI 3 and Xenes
journal, December 2019