526 citations
- Chinese Academy of SciencesCN36 papers
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5 papers · 2 filters
Thermal Transport in MoS from Molecular Dynamics using Different Empirical Potentials
Ke Xu, Alexander J. Gabourie, Arsalan Hashemi +7
Thermal properties of molybdenum disulfide (MoS) have recently attracted attention related to fundamentals of heat propagation in strongly anisotropic materials, and in the con…
Heat transport in pristine and polycrystalline single-layer hexagonal boron nitride
Haikuan Dong, Petri Hirvonen, Zheyong Fan +1
We use a phase field crystal model to generate large-scale bicrystalline and polycrystalline single-layer hexagonal boron nitride (h-BN) samples and employ molecular dynamics (MD)…
Thermal transport properties of single-layer black phosphorous from extensive molecular dynamics simulations
Ke Xu, Zheyong Fan, Jicheng Zhang +2
We compute the anisotropic in-plane thermal conductivity of suspended single-layer black phosphorous (SLBP) using three molecular dynamics (MD) based methods, including the equilib…
Homogeneous nonequilibrium molecular dynamics method for heat transport and spectral decomposition with many-body potentials
Zheyong Fan, Haikuan Dong, Ari Harju +1
The standard equilibrium Green-Kubo and nonequilibrium molecular dynamics (MD) methods for computing thermal transport coefficients in solids typically require relatively long simu…
Type-I and type-II Nodal Lines Coexistence in the Antiferromagnetic monolayer CrAs
Busheng Wang, Heng Gao, Qing Lu +5
Topological nodal line semimetals, hosting one-dimensional Fermi lines with symmetry protection, has become a hot topic in topological quantum matter. Due to the breaking of time r…