scholarly journals Bridging the gap between molecular dynamics simulations and phase-field modelling: dynamics of a [NixZr1−x]liquid–Zrcrystalsolidification front

2008 ◽  
Vol 42 (1) ◽  
pp. 015310 ◽  
Author(s):  
Denis Danilov ◽  
Britta Nestler ◽  
Mohammed Guerdane ◽  
Helmar Teichler
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Phase Field ◽  
Field Modelling ◽  
Dynamics Simulations

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

JOM ◽  
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

Exploring the structure–property relationship of three-dimensional hexagonal boron nitride aerogels with gyroid surfaces

Nanoscale ◽  
2020 ◽  
Vol 12 (18) ◽  
pp. 10180-10188
Author(s):  
Yan Chen ◽  
Huasong Qin ◽  
Juzheng Song ◽  
Zeming Liu ◽  
Yilun Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Boron Nitride ◽  
Molecular Dynamics Simulations ◽  
Phase Field ◽  
Hexagonal Boron Nitride ◽  
Three Dimensional ◽  
Structure Property ◽  
Structure Property Relationship ◽  
Dynamics Simulations ◽  
Relationship Of

The mechanical and thermal behaviors of three-dimensional hexagonal boron nitride aerogels (hBNAGs) are studied using molecular dynamics simulations based on a binary phase-field crystal (PFC) model.

scholarly journals Heat transport in pristine and polycrystalline single-layer hexagonal boron nitride

2018 ◽  
Vol 20 (38) ◽  
pp. 24602-24612 ◽  
Author(s):  
Haikuan Dong ◽  
Petri Hirvonen ◽  
Zheyong Fan ◽  
Tapio Ala-Nissila
Keyword(s):  
Molecular Dynamics ◽  
Boron Nitride ◽  
Molecular Dynamics Simulations ◽  
Heat Transport ◽  
Phase Field ◽  
Large Scale ◽  
Hexagonal Boron Nitride ◽  
Single Layer ◽  
Crystal Model ◽  
Dynamics Simulations

Unusual thermal transport in polycrystalline h-BN prepared by phase field crystal model is revealed by large-scale molecular dynamics simulations.

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