Non Equilibrium Molecular Dynamics | List of Frontiers open access articles

Original Research

Published on 25 Nov 2022

Tunable thermal properties of the biphenylene and the lateral heterostructure formed with graphene: A molecular dynamics investigation

in Chemical Physics and Physical Chemistry

Qiang Cui
Kai Ren
Ruxing Zheng
Qiuhua Zhang
Luxin Yu
Jianping Li

Frontiers in Physics

doi 10.3389/fphy.2022.1085367

2,733 views
5 citations

Brief Research Report

Published on 08 Apr 2021

Molecular Dynamics Simulations on Influence of Defect on Thermal Conductivity of Silicon Nanowires

in Process and Energy Systems Engineering

Hao Li
Qiancheng Rui
Xiwen Wang
Wei Yu

Frontiers in Energy Research

doi 10.3389/fenrg.2021.664891

2,498 views
1 citation

Brief Research Report

Published on 05 Jan 2022

Molecular Dynamics Investigation on Thermal Conductivity and Photon Behaviors of Graphene With Sierpinski Carpet Fractal Defects

in Process and Energy Systems Engineering

Wei Yu
Yongjing Wu
Xiangxiang Shao
Xiwen Wang

Frontiers in Energy Research

doi 10.3389/fenrg.2021.819395

2,345 views
1 citation

Original Research

Published on 04 May 2022

A Qualitative Study of the Disorder Effect on the Phonon Transport in a Two-Dimensional Graphene/h-BN Heterostructure

in Carbon-Based Materials

Yinong Liu
Weina Ren
Meng An
Lan Dong
Lei Gao
Xuxia Shai
Tingting Wei
Linru Nie
Shiqian Hu
Chunhua Zeng

Frontiers in Materials

doi 10.3389/fmats.2022.913764

3,735 views
10 citations

Original Research

Published on 15 Aug 2022

An investigation of the YidC-mediated membrane insertion of Pf3 coat protein using molecular dynamics simulations

in Biological Modeling and Simulation

Adithya Polasa
Jeevapani Hettige
Kalyan Immadisetty
Mahmoud Moradi

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2022.954262

3,959 views
8 citations

Original Research

Published on 24 Jun 2021

Exploring Nanoscale Lubrication Mechanisms of Multilayer MoS2 During Sliding: The Effect of Humidity

in Theoretical and Computational Chemistry

Victor E. P. Claerbout
Paolo Nicolini
Tomas Polcar

Frontiers in Chemistry

doi 10.3389/fchem.2021.684441

4,845 views
17 citations

Original Research

Published on 16 Apr 2018

Effect of Length, Diameter, Chirality, Deformation, and Strain on Contact Thermal Conductance Between Single-Wall Carbon Nanotubes

in Carbon-Based Materials

Vikas Varshney
Jonghoon Lee
Joshua S. Brown
Barry L. Farmer
Andrey A. Voevodin
Ajit K. Roy

Frontiers in Materials

doi 10.3389/fmats.2018.00017

8,718 views
27 citations

Articles

Tunable thermal properties of the biphenylene and the lateral heterostructure formed with graphene: A molecular dynamics investigation

Molecular Dynamics Simulations on Influence of Defect on Thermal Conductivity of Silicon Nanowires

Molecular Dynamics Investigation on Thermal Conductivity and Photon Behaviors of Graphene With Sierpinski Carpet Fractal Defects

A Qualitative Study of the Disorder Effect on the Phonon Transport in a Two-Dimensional Graphene/h-BN Heterostructure

An investigation of the YidC-mediated membrane insertion of Pf3 coat protein using molecular dynamics simulations

Exploring Nanoscale Lubrication Mechanisms of Multilayer MoS2 During Sliding: The Effect of Humidity

Effect of Length, Diameter, Chirality, Deformation, and Strain on Contact Thermal Conductance Between Single-Wall Carbon Nanotubes