GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations
We present our latest advancements of machine-learned potentials (MLPs) based on the
neuroevolution potential (NEP) framework introduced in Fan et al.[Phys. Rev. B 104, 104309 …
neuroevolution potential (NEP) framework introduced in Fan et al.[Phys. Rev. B 104, 104309 …
Electrically gated molecular thermal switch
Controlling heat flow is a key challenge for applications ranging from thermal management
in electronics to energy systems, industrial processing, and thermal therapy. However …
in electronics to energy systems, industrial processing, and thermal therapy. However …
Phonon thermal transport across multilayer graphene/hexagonal boron nitride van der Waals heterostructures
Van der Waals (vdW) heterostructures stacked vertically by graphene (Gr) and hexagonal
boron nitride (h-BN), by virtue of their novel properties, will undoubtedly spark great interests …
boron nitride (h-BN), by virtue of their novel properties, will undoubtedly spark great interests …
A review on thermo-mechanical properties of bi-crystalline and polycrystalline 2D nanomaterials
BB Sharma, A Parashar - Critical Reviews in Solid State and …, 2020 - Taylor & Francis
Due to outstanding properties, graphene and h-BN nanosheets are emerging as a potential
candidate for wide spectrum of applications in the field of engineering and bio-medical …
candidate for wide spectrum of applications in the field of engineering and bio-medical …
Building efficient interfacial property with graphene heterogeneous interface
We investigated bonding configurations, failure mechanisms and thermal reliabilities of
graphene heterogeneous interfaces with Si and SiC substrates using density functional …
graphene heterogeneous interfaces with Si and SiC substrates using density functional …
A novel SiO2–GO/acrylic resin nanocomposite: fabrication, characterization and properties
R Dong, L Wang, J Zhu, L Liu, Y Qian - Applied Physics A, 2019 - Springer
The nanohybrids of silicon dioxide–graphene oxide (SiO 2–GO) were prepared by surface
modification of graphene oxide (GO) by the hydrolysis of the tetraethoxysilane (TEOS) and …
modification of graphene oxide (GO) by the hydrolysis of the tetraethoxysilane (TEOS) and …
Twist-dependent anisotropic thermal conductivity in homogeneous MoS2 stacks
Thermal transport property of homogeneous twisted molybdenum disulfide (MoS 2) is
investigated using non-equilibrium molecular dynamics simulations with the state-of-art …
investigated using non-equilibrium molecular dynamics simulations with the state-of-art …
Effects of aggregate type and SBS copolymer on the interfacial heat transport ability of asphalt mixture using molecular dynamics simulation
HC Dan, ZM Zou, Z Zhang, JW Tan - Construction and Building Materials, 2020 - Elsevier
The interface between the asphalt and the aggregate contributes significantly to the thermal
performance of asphalt mixture. This paper employs non-equilibrium molecular dynamics …
performance of asphalt mixture. This paper employs non-equilibrium molecular dynamics …
An insight into thermal properties of BC3-graphene hetero-nanosheets: a molecular dynamics study
Simulation of thermal properties of graphene hetero-nanosheets is a key step in
understanding their performance in nano-electronics where thermal loads and shocks are …
understanding their performance in nano-electronics where thermal loads and shocks are …
Transition from incoherent to coherent phonon thermal transport across graphene/h-BN van der Waals superlattices
The van der Waals (vdW) superlattice, obtained by applying the concept of the periodic
superlattice to two-dimensional materials using low-energy vdW physical assembly, is …
superlattice to two-dimensional materials using low-energy vdW physical assembly, is …