国家/地区 China（2）
关键词 REAXFF（4）
出版物 CHEMICAL ENGINEERIN.（2）
出版时间 2021（4）
机构
作者 BARATI M（2） KHANNA R（2） LI GY（2） LI KJ（2）
LIANG Z（2） MA SF（2） ZHANG H（2） ZHANG JL（2）

Multiscale Modeling of Epoxy-Based Nanocomposites Reinforced with Functionalized and Non-Functionalized Graphene Nanoplatelets

POLYMERS

AL MAHMUD H, RADUE MS, CHINKANJANAROT S, ODEGARD GM

Thermal behaviour during initial stages of graphene oxidation: Implications for reaction kinetics and mechanisms

CHEMICAL ENGINEERING JOURNAL

LI KJ, KHANNA R, ZHANG H, MA SF, LIANG Z, LI GY, BARATI M, ZHANG JL

Thermal behaviour, kinetics and mechanisms of CO2 interactions with graphene: An atomic scale reactive molecular dynamic study

CHEMICAL ENGINEERING JOURNAL

LI KJ, KHANNA R, ZHANG H, CONEJO A, MA SF, LIANG Z, LI GY, BARATI M, ZHANG JL

Atomistic insights into the protection failure of the graphene coating under the hyperthermal impacts of reactive oxygen species: ReaxFF-based molecular dynamics simulations

APPLIED SURFACE SCIENCE

AMIRI N, GHASEMI JB, BEHNEJAD H