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 …
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 …
Neuroevolution machine learning potentials: Combining high accuracy and low cost in atomistic simulations and application to heat transport
We develop a neuroevolution-potential (NEP) framework for generating neural network-
based machine-learning potentials. They are trained using an evolutionary strategy for …
based machine-learning potentials. They are trained using an evolutionary strategy for …
Unlocking More Potentials in Two-Dimensional Space: Disorder Engineering in Two-Dimensional Amorphous Carbon
The theory of the nature of glass has been described as the deepest but unsolved problem
in solid state theory. The fundamental understanding of the structural characteristics of …
in solid state theory. The fundamental understanding of the structural characteristics of …
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 …
Homogeneous nonequilibrium molecular dynamics method for heat transport and spectral decomposition with many-body potentials
The standard equilibrium Green–Kubo and nonequilibrium molecular dynamics (MD)
methods for computing thermal transport coefficients in solids typically require relatively long …
methods for computing thermal transport coefficients in solids typically require relatively long …
Equivalence of the equilibrium and the nonequilibrium molecular dynamics methods for thermal conductivity calculations: From bulk to nanowire silicon
Molecular dynamics (MD) simulations play an important role in studying heat transport in
complex materials. The lattice thermal conductivity can be computed either using the Green …
complex materials. The lattice thermal conductivity can be computed either using the Green …
Deriving phase field crystal theory from dynamical density functional theory: consequences of the approximations
Phase field crystal (PFC) theory is extensively used for modeling the phase behavior,
structure, thermodynamics, and other related properties of solids. PFC theory can be derived …
structure, thermodynamics, and other related properties of solids. PFC theory can be derived …
The effects of grain size and fractal porosity on thermal conductivity of nano-grained graphite: A molecular dynamics study
The thermal conductivity of isotropic graphite is a crucial parameter in mechanical and
nuclear engineering. However, obtaining its value accurately is still difficult, especially under …
nuclear engineering. However, obtaining its value accurately is still difficult, especially under …
Uniform deposition of silver nanowires and graphene oxide by superhydrophilicity for transparent conductive films
DW Fox, AA Schropp, T Joseph, N Azim… - ACS Applied Nano …, 2021 - ACS Publications
Superhydrophilic surfaces were used to achieve a uniform deposition of one-dimensional
(1D) and two-dimensional (2D) nanomaterials for high performance transparent conductive …
(1D) and two-dimensional (2D) nanomaterials for high performance transparent conductive …