Nano-Piezoelectricity in BaTiO3: An Atomistic/Continuum Simulation

被引：1

作者：

Wang, Xianqiao ^{[1
]}

Lee, James D. ^{[1
]}

机构：

[1] George Washington Univ, Dept Mech & Aerosp Engn, Washington, DC 20052 USA

来源：

ADVANCED SCIENCE LETTERS | 2010年 / 3卷 / 04期

关键词：

FORMULATION; NANOWIRES;

D O I：

10.1166/asl.2010.1164

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

The present work is concerned with the application of Atomistic Field Theory (AFT) in modelling and simulation of polarization and phase transformation in multi-element crystalline materials. Atomistic Field Theory and its corresponding cluster-based numerical implementation are briefly introduced. We have modelled and simulated the dynamic process of polarization and phase transformation in BaTiO3 through coarse-grained finite element simulations, which lends credible support to prove that AFT can capture the atomic-scale material behaviours. Due to the piezoelectric effect of perovskite materials, AFT can offer a more fundamental understanding of energy harvesting from a mechanical system at nanoscale.

引用

页码：422 / 427

页数：6

共 17 条

[1] The physics of ferroelectric memories [J].

Auciello, O ;

Scott, JF ;

Ramesh, R .

PHYSICS TODAY, 1998, 51 (07) :22-27

[2] Atomistic formulation of a multiscale field theory for nano/micro solids [J].

Chen, Y ;

Lee, J .

PHILOSOPHICAL MAGAZINE, 2005, 85 (33-35) :4095-4126

[3] Reformulation of microscopic balance equations for multiscale materials modeling [J].

Chen, Youping .

JOURNAL OF CHEMICAL PHYSICS, 2009, 130 (13)

[4] Local stress and heat flux in atomistic systems involving three-body forces [J].

Chen, YP .

JOURNAL OF CHEMICAL PHYSICS, 2006, 124 (05)

[5] A variational formulation of the quasicontinuum method based on energy sampling in clusters [J].

Eidel, Bernhard ;

Stukowski, Alexander .

JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS, 2009, 57 (01) :87-108

[6] On the Cauchy-Born rule [J].

Ericksen, J. L. .

MATHEMATICS AND MECHANICS OF SOLIDS, 2008, 13 (3-4) :199-220

[7] Electrostatic actuation of thin-film microelectromechanical structures [J].

Gaspar, J ;

Chu, V ;

Conde, JP .

JOURNAL OF APPLIED PHYSICS, 2003, 93 (12) :10018-10029

[8] Ferroelectric BaTiO3 Thin Films on Ti Substrate Fabricated Using Pulsed-Laser Deposition [J].

He, J. ;

Jiang, J. C. ;

Liu, J. ;

Collins, G. ;

Chen, C. L. ;

Lin, B. ;

Giurgiutiu, V. ;

Guo, R. Y. ;

Bhalla, A. ;

Meletis, E. I. .

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, 2010, 10 (09) :6245-6250

[9] Synthesis and Characterization of Nano-Particulate BaTiO3 for Ceramic/Polymer Composite Capacitor [J].

Lee, Duk Kyu ;

Kim, Dong Wan ;

Cho, In-Sun ;

Lee, Sangwook ;

Noh, Junhong ;

Hong, Kug Sun .

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, 2010, 10 (02) :1361-1366

[10] Multiscale material modeling and its application to a dynamic crack propagation problem [J].

Lee, J. D. ;

Wang, X. Q. ;

Chen, Y. P. .

THEORETICAL AND APPLIED FRACTURE MECHANICS, 2009, 51 (01) :33-40

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