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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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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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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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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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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Anisotropy in interface stress at the bcc-iron solid–melt interface: Molecular dynamics and phase field crystal modelling

Computational Materials Science ◽

10.1016/j.commatsci.2021.110982 ◽

2022 ◽

Vol 202 ◽

pp. 110982

Author(s):

Sushil Kumar ◽

Ming-Wei Liu ◽

Kuo-An Wu ◽

M.P. Gururajan

Keyword(s):

Molecular Dynamics ◽

Phase Field ◽

Interface Stress ◽

Bcc Iron ◽

Phase Field Crystal

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Phase-Field Crystal Model for Fe Connected to MEAM Molecular Dynamics Simulations

JOM ◽

10.1007/s11837-013-0845-3 ◽

2014 ◽

Vol 66 (3) ◽

pp. 429-436 ◽

Author(s):

Ebrahim Asadi ◽

Mohsen Asle Zaeem ◽

Michael I. Baskes

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Phase Field ◽

Crystal Model ◽

Dynamics Simulations ◽

Phase Field Crystal

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Comparison of Phase Field Crystal and Molecular Dynamics Simulations for a Shrinking Grain

Journal of Physics Conference Series ◽

10.1088/1742-6596/402/1/012043 ◽

2012 ◽

Vol 402 ◽

pp. 012043 ◽

Author(s):

B Radhakrishnan ◽

S B Gorti ◽

D M Nicholson ◽

J Dantzig

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Phase Field ◽

Dynamics Simulations ◽

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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Molecular dynamics on diffusive time scales from the phase-field-crystal equation

Physical Review E ◽

10.1103/physreve.79.035701 ◽

2009 ◽

Vol 79 (3) ◽

Author(s):

Pak Yuen Chan ◽

Nigel Goldenfeld ◽

Jon Dantzig

Keyword(s):

Molecular Dynamics ◽

Time Scales ◽

Phase Field ◽

Diffusive Time ◽

Phase Field Crystal

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Enabling simulations of grains within a full rotation range in amplitude expansion of the phase-field crystal model

Physical Review E ◽

10.1103/physreve.101.043309 ◽

2020 ◽

Vol 101 (4) ◽

Author(s):

Matjaž Berčič ◽

Goran Kugler

Keyword(s):

Phase Field ◽

Crystal Model ◽

Full Rotation ◽

Phase Field Crystal

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