国家/地区 England（12）
关键词 MOLECULAR DYNAMIC（12）
出版物 ACS NANO（2） NANOTECHNOLOGY（2）
出版时间 2021（3） 2017（2）
机构 UNIV LONDON .（2）
作者 HAN TW（3） SCARPA F（3） ZHANG XY（3） WANG XY（2）

Coarse grained models of graphene and graphene oxide for use in aqueous solution

2D MATERIALS

WILLIAMS CD, LISAL M

Initiation mechanisms of enhanced pyrolysis and oxidation of JP-10 (exo-tetrahydrodicyclopentadiene) on functionalized graphene sheets: Insights from ReaxFF molecular dynamics simulations

FUEL

FENG MY, JIANG XZ, MAO Q, LUO KH, HELLIER P

A coupled mechanical-charge/dipole molecular dynamics finite element method, with multi-scale applications to the design of graphene nano-devices

INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING

WILMES AAR, PINHO ST

Molecular Dynamics of Adsorption of Argon on Graphene, Carbon Nanotubes and Carbon Nanotubes Bundles

JOURNAL OF COMPUTATIONAL THEORETICAL NANOSCIENCE

PUSHPARAJALINGAM JS, KALWEIT M, LABOIS M, DRIKAKIS D

Formation of Two-Dimensional Micelles on Graphene: Multi-Scale Theoretical and Experimental Study

ACS NANO

ROBINSON BJ, BAILEY SWD, O DRISCOLL LJ, VISONTAI D, WELSH DJ, MOSTERT AB, MAZZOCCO R, RABOT C, JARVIS SP, KOLOSOV OV, BRYCE MR, LAMBERT C

Biomimetic Phospholipid Membrane Organization on Graphene and Graphene Oxide Surfaces: A Molecular Dynamics Simulation Study

ACS NANO

WILLEMS N, URTIZBEREA A, VERRE AF, ILIUT M, LELIMOUSIN M, HIRTZ M, VIJAYARAGHAVAN A, SANSOM MSP

Optimizing Water Transport through Graphene-Based Membranes: Insights from Nonequilibrium Molecular Dynamics

ACS APPLIED MATERIALS INTERFACES

MUSCATELLO J, JAEGER F, MATAR OK, MULLER EA

Molecular Dynamics Simulations of Nitric Oxide Scattering Off Graphene

CHEMPHYSCHEM

GREENWOOD T, KOEHLER SPK

Effect of nanoscale defects on the thermal conductivity of graphene

MATERIALS TODAY COMMUNICATIONS

ESFAHANI MN, JABBARI M, XU YB, SOUTIS C

Free standing nanoindentation of penta-graphene via molecular dynamics: Mechanics and deformation mechanisms

MECHANICS OF MATERIALS

HAN TW, LI R, ZHANG XY, SCARPA F