Thermal conductivity prediction by atomistic simulation methods: Recent advances and detailed comparison
Atomistic simulation methods, including anharmonic lattice dynamics combined with the
Boltzmann transport equation, equilibrium and non-equilibrium molecular dynamics …
Boltzmann transport equation, equilibrium and non-equilibrium molecular dynamics …
Non-Fourier heat transport in nanosystems
Energy transfer in small nano-sized systems can be very different from that in their
macroscopic counterparts due to reduced dimensionality, interaction with surfaces, disorder …
macroscopic counterparts due to reduced dimensionality, interaction with surfaces, disorder …
Metal-organic framework enables ultraselective polyamide membrane for desalination and water reuse
While reverse osmosis (RO) is the leading technology to address the global challenge of
water scarcity through desalination and potable reuse of wastewater, current RO …
water scarcity through desalination and potable reuse of wastewater, current RO …
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 …
Wigner formulation of thermal transport in solids
Two different heat-transport mechanisms are discussed in solids. In crystals, heat carriers
propagate and scatter particlelike as described by Peierls's formulation of the Boltzmann …
propagate and scatter particlelike as described by Peierls's formulation of the Boltzmann …
Multilayer in-plane graphene/hexagonal boron nitride heterostructures: Insights into the interfacial thermal transport properties
Combining both vertical and in-plane two-dimensional (2D) heterostructures opens up the
possibility to create an unprecedented architecture using 2D atomic layer building blocks …
possibility to create an unprecedented architecture using 2D atomic layer building blocks …
Quantum-corrected thickness-dependent thermal conductivity in amorphous silicon predicted by machine learning molecular dynamics simulations
Amorphous silicon (a-Si) is an important thermal-management material and also serves as
an ideal playground for studying heat transport in strongly disordered materials. Theoretical …
an ideal playground for studying heat transport in strongly disordered materials. Theoretical …
Anisotropic and high thermal conductivity in monolayer quasi-hexagonal fullerene: A comparative study against bulk phase fullerene
Recently a novel two-dimensional (2D) C 60 based crystal called quasi-hexagonal-phase
fullerene (QHPF) has been fabricated and demonstrated to be a promising candidate for 2D …
fullerene (QHPF) has been fabricated and demonstrated to be a promising candidate for 2D …
Thermal transport in planar sp2-hybridized carbon allotropes: A comparative study of biphenylene network, pentaheptite and graphene
The biphenylene network with periodically arranged four-, six-, and eight-membered rings
has been successfully synthesized in very recent experiments. This novel two-dimensional …
has been successfully synthesized in very recent experiments. This novel two-dimensional …
Enhanced thermal energy storage performance of molten salt for the next generation concentrated solar power plants by SiO2 nanoparticles: a molecular dynamics …
L **an, L Chen, H Tian, WQ Tao - Applied Energy, 2022 - Elsevier
Chloride molten salt is the most promising thermal energy storage materials for the next
generation concentrated solar power (CSP) plants. In this work, to enhance the thermal …
generation concentrated solar power (CSP) plants. In this work, to enhance the thermal …