Coupled motion of asymmetrical tilt grain boundaries: Molecular dynamics and phase field crystal simulations

Acta Materialia ◽

10.1016/j.actamat.2012.08.018 ◽

2012 ◽

Vol 60 (19) ◽

pp. 6528-6546 ◽

Author(s):

Z.T. Trautt ◽

A. Adland ◽

A. Karma ◽

Y. Mishin

Keyword(s):

Molecular Dynamics ◽

Grain Boundaries ◽

Phase Field ◽

Coupled Motion ◽

Phase Field Crystal

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Coupled motion of grain boundaries and the influence of microcracks: A phase-field-crystal study

Computational Materials Science ◽

10.1016/j.commatsci.2017.02.021 ◽

2017 ◽

Vol 132 ◽

pp. 125-131 ◽

Author(s):

Shi Hu ◽

Wen Xi ◽

Zheng Chen ◽

Song Wang ◽

Ting-Hui Zhang

Keyword(s):

Grain Boundaries ◽

Phase Field ◽

Coupled Motion ◽

Phase Field Crystal

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Heat transport across graphene/hexagonal-BN tilted grain boundaries from phase-field crystal model and molecular dynamics simulations

Journal of Applied Physics ◽

10.1063/5.0069134 ◽

2021 ◽

Vol 130 (23) ◽

pp. 235102

Author(s):

Haikuan Dong ◽

Petri Hirvonen ◽

Zheyong Fan ◽

Ping Qian ◽

Yanjing Su ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Grain Boundaries ◽

Heat Transport ◽

Phase Field ◽

Crystal Model ◽

Dynamics Simulations ◽

Phase Field Crystal

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Phase-Field Crystal Modeling: Integrating Density Functional Theory, Molecular Dynamics, and Phase-Field Modeling

Integrated Computational Materials Engineering (ICME) for Metals ◽

10.1002/9781119018377.ch3 ◽

2018 ◽

pp. 49-70

Author(s):

Mohsen Asle Zaeem ◽

Ebrahim Asadi

Keyword(s):

Molecular Dynamics ◽

Density Functional Theory ◽

Phase Field ◽

Density Functional ◽

Phase Field Modeling ◽

Functional Theory ◽

Field Modeling ◽

Phase Field Crystal

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Grain boundaries dependence of plastic deformation in nanocrystalline Cu film investigated by phase field and molecular dynamics methods

Materials Chemistry and Physics ◽

10.1016/j.matchemphys.2020.123506 ◽

2020 ◽

Vol 254 ◽

pp. 123506 ◽

Author(s):

Meng Zhang ◽

Ting Xu ◽

Liang Fang

Keyword(s):

Molecular Dynamics ◽

Plastic Deformation ◽

Grain Boundaries ◽

Phase Field ◽

Cu Film ◽

Molecular Dynamics Methods

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Assessment of phase-field-crystal concepts using long-time molecular dynamics

Physical Review B ◽

10.1103/physrevb.91.014103 ◽

2015 ◽

Vol 91 (1) ◽

Author(s):

K. L. Baker ◽

W. A. Curtin

Keyword(s):

Molecular Dynamics ◽

Phase Field ◽

Long Time ◽

Phase Field Crystal

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Crystal-melt interface mobility in bcc Fe: Linking molecular dynamics to phase-field and phase-field crystal modeling

Physical Review B ◽

10.1103/physrevb.97.144105 ◽

2018 ◽

Vol 97 (14) ◽

Author(s):

M. Guerdane ◽

M. Berghoff

Keyword(s):

Molecular Dynamics ◽

Phase Field ◽

Interface Mobility ◽

Phase Field Crystal

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Melting at dislocations and grain boundaries: A phase field crystal study

Physical Review B ◽

10.1103/physrevb.77.224114 ◽

2008 ◽

Vol 77 (22) ◽

Author(s):

Joel Berry ◽

K. R. Elder ◽

Martin Grant

Keyword(s):

Grain Boundaries ◽

Phase Field ◽

Phase Field Crystal

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Defects at grain boundaries: A coarse-grained, three-dimensional description by the amplitude expansion of the phase-field crystal model

Physical Review Materials ◽

10.1103/physrevmaterials.2.053804 ◽

2018 ◽

Vol 2 (5) ◽

Author(s):

Marco Salvalaglio ◽

Rainer Backofen ◽

K. R. Elder ◽

Axel Voigt

Keyword(s):

Grain Boundaries ◽

Phase Field ◽

Three Dimensional ◽

Coarse Grained ◽

Crystal Model ◽

Phase Field Crystal

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Phase-field crystal and molecular dynamics simulations of grain boundary migration and dislocation behavior

The Proceedings of The Computational Mechanics Conference ◽

10.1299/jsmecmd.2017.30.163 ◽

2017 ◽

Vol 2017.30 (0) ◽

pp. 163

Author(s):

Akinori YAMANAKA ◽

Peter W. VOORHEES

Keyword(s):

Molecular Dynamics ◽

Grain Boundary ◽

Molecular Dynamics Simulations ◽

Phase Field ◽

Boundary Migration ◽

Grain Boundary Migration ◽

Dislocation Behavior ◽

Dynamics Simulations ◽

Phase Field Crystal

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Phase-field-crystal study on the evolution behavior of microcracks initiated on grain boundaries under constant strain

Journal of Materials Science ◽

10.1007/s10853-017-0799-x ◽

2017 ◽

Vol 52 (10) ◽

pp. 5641-5651 ◽

Author(s):

Shi Hu ◽

Zheng Chen ◽

Wen Xi ◽

Ying-Ying Peng

Keyword(s):

Grain Boundaries ◽

Phase Field ◽

Evolution Behavior ◽

Phase Field Crystal

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