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cond-mat.mtrl-sci2021★ 18 cited
Heat transport across graphene/hexagonal-BN tilted grain boundaries from phase-field crystal model and molecular dynamics simulations
Haikuan Dong, Petri Hirvonen, Zheyong Fan +3
We study the interfacial thermal conductance of grain boundaries (GBs) between monolayer graphene and hexagonal boron nitride (h-BN) sheets using a combined atomistic approach. Fir…
cond-mat.mtrl-sci2021★ 3 cited
Structure and Pore Size Distribution in Nanoporous Carbon
Yanzhou Wang, Zheyong Fan, Ping Qian +2
We study the structural and mechanical properties of nanoporous (NP) carbon materials by extensive atomistic machine-learning (ML) driven molecular dynamics (MD) simulations. To th…