Enhancing nanoscale phase-change heat transfer by collaborative roles of surface functionalization and external electric field

A Promising Candidate for Ising Ferromagnetism of the Two-Dimensional Kagome V₂O₃ Honeycomb Monolayer

Anomalous strain-dependent thermal conductivity in the metal-organic framework HKUST-1

Direct observation of tunable thermal conductance at solid/porous crystalline solid interfaces induced by water adsorbates

Dual Substrate Effect of Silicon Substrate on ThermalTransport Characteristic of (14,14,14)-Graphyne: Transformation from Conventional Suppressing Role toAbnormal Promoting Role

Electrostatic interactions dominate thermal conductivity and anisotropy in three-dimensional hydrogen-bonded organic frameworks

Enhancing ion transport in pressure-driven nanofluidic systems for energy harvesting

Lightweight, freestanding hybrids of graphene and hexagonal boron nitride foams

Molecular Dynamics Simulations of Li⁺/Mg²⁺ Separation Using Metal-Organic Frameworks

Near-interface effects on interfacial phonon transport: Competition between phonon-phonon interference and phonon-phonon scattering

Precise characterization of thermal conductivity and interfacial thermal resistance of individual polymer microparticle

Role of elastic phonon couplings in dictating the thermal transport across atomically sharp SiC/Si interfaces

Surface functionalization enabling highly effective phase-change heat transfer of R1234yf: A molecular dynamics study

The lattice thermal conductivity of hafnia: The influence of high-order scatterings and phonon coherence

Thermal transport in disordered wurtzite ScAlN alloys using machine learning interatomic potentials

Tuning Thermal Conductivity of Hybrid Perovskites through Halide Alloying

Ultralow-freezing-point (−70 °C), organic solvent-free aqueous electrolyte with superior ionic conductivity and thermodynamics stability

Vertical iontronic energy storage based on osmotic effects and electrode redox reactions

A Novel Nanofluidic System for Enhancing Ion Transport

Aligned carbon-doping to modulate thermal and electrical conductivity of boron carbon nitride grown from chemical vapor deposition

Collaborative mechanisms boost the nanoscale boiling heat transfer at functionalized gold surfaces

Competing Heat Carriers Leading to Distinctive Cation Concentration Dependent Thermal Conductivity of Amorphous Li_xS (x=0-2) Batteries

Diffusion of LiCl electrolytes in 3D-nanoporous graphene structures

Effects of Thermal Boundary Resistance on Thermal Management of Gallium-Nitride-Based Semiconductor Devices: A Review

Enhancing ion transport in nanofluidic systems through counter-charged nanochannels

High-performance and wide relative humidity passive evaporative cooling utilizing atmospheric water

Quantifying the Spectral Thermal Transport Properties in the Framework of Molecular Dynamics Simulations: A Comprehensive Review

Quasilocalized vibrational modes as efficient heat carriers in glasses

Signatures of anharmonic phonon transport in ultrahigh thermal conductance across atomically sharp metal/semiconductor interface

Strain engineering of antiperovskite materials for solid-state Li batteries: a computation-guided substitution approach

Collaborative Mechanisms Boost the Nanoscale Boiling Heat Transfer at Functionalized Gold Surfaces

Collaborative Mechanisms Boost the Nanoscale Boiling Heat Transfer at Functionalized Gold Surfaces

Diffusion of aqueous LiCl electrolytes in 3D-nanoporous graphene structures

Direct Observation of Tunable Thermal Conductance at Solid/porous Crystalline Solid Interfaces Induced by Water Adsorbents

High-performance and Wide Relative Humidity Passive Evaporative Cooling utilizing Atmospheric Water

High-Performance and Wide Relative Humidity Passive Evaporative Cooling Utilizing Atmospheric Water

Interfacial Thermal Conductance Spectrum in Nonequilibrium Molecular Dynamics Simulations Considering Anharmonicity, Asymmetry and Quantum Effects

Molecular dynamics simulation of the diffusion coefficient of Ions through graphene nanopores

Near-Interface Effects on Interfacial Phonon Transport

Quasilocalized Vibrational Modes as Efficient Heat Carriers in Glasses

Thermal Transport in Metal-Organic Frameworks: The Influence of Water Adsorbents and Mechanical Strain

Ultralong Mean Free Path Phonons in HKUST-1 and Their Scattering by Water Adsorbates

Broadly manipulating the interfacial thermal energy transport across the Si/4H-SiC interfaces via nanopatterns

Diffusion coefficient of ions through graphene nanopores

Elevated barrier height originated from electric dipole effect and improved breakdown characteristics in PtO_x/ β-Ga₂O₃ Schottky barrier diodes

Origin of the weakly temperature-dependent thermal conductivity in ZIF-4 and ZIF-62

Resonant Phonon Modes Induced by Molecular Rotations in Alpha-Pentaerythritol Crystals

The Interfacial Thermal Conductance Spectrum in Nonequilibrium Molecular Dynamics Simulations Considering Anharmonicity, Asymmetry and Quantum Effects

Thermal Management Modeling for β-Ga₂O₃-Highly Thermal Conductive Substrates Heterostructures

Ultralong mean free path phonons in HKUST-1 and their scattering by water adsorbates

Predicting the interfacial thermal resistance of electronic packaging materials via machine learning

Assessing the quantum effect in classical thermal conductivity of amorphous silicon

Phonon scattering in the complex strain field of a dislocation in PbTe

Probing the phonon mean free paths in dislocation core by molecular dynamics simulation

Quantitatively predicting modal thermal conductivity of nanocrystalline Si by full-band Monte Carlo simulations

The effective regulation of nanotwinning on the multichannel thermal transport in hybrid organic–inorganic halide perovskite

Thermal Boundary Conductance across Co/Cu Interfaces with Spin-Lattice Interactions

Thermal transfer in amorphous superionic Li₂S

Vibrational modes with long mean free path and large volumetric heat capacity drive higher thermal conductivity in amorphous zeolitic imidazolate Framework-4

Atomistic Simulations of Phonon and Magnon Thermal Transport in Magnetic Materials

GaN薄膜的热导率模型研究

Highly Thermo-Conductive Three-Dimensional Graphene Aqueous Medium

Molecular dynamics simulations of the effect of dislocations on the thermal conductivity of iron

Strong phonon localization in PbTe with dislocations and large deviation to Matthiessen’s rule

Enormous suppression of phonon transport in silicon nanowires with five-fold twin boundary

Extremely Low Thermal Conductivity of Polycrystalline Silicene

Methodology Perspective of Computing Thermal Transport in Low-dimensional Materials and Nanostructures: the Old and the New

Strong anharmonic phonon scattering induced giant reduction of thermal conductivity in PbTe nanotwin boundary

Thermal transport crossover from crystalline to partial-crystalline partial-liquid state

Two-Channel Thermal Transport in Ordered–Disordered Superionic Ag₂Te and Its Traditionally Contradictory Enhancement by Nanotwin Boundary

Atomistic Simulations of Phononic and Magnonic Thermal Transport in Magnetic Materials

Thermal Transport Crossover From Crystalline to Partial-Crystalline Partial-Liquid State

Decouple electronic and phononic transport in nanotwinned structures: a new strategy for enhancing the figure-of-merit of thermoelectrics

First-principles and molecular dynamics study of thermoelectric transport properties of N-type silicon-based superlattice-nanocrystalline heterostructures

Full quantification of frequency-dependent interfacial thermal conductance contributed by two- and three-phonon scattering processes from nonequilibrium molecular dynamics simulations

Giant reduction in thermal conductivity of extended type-I silicon clathrates and prominent thermal effect of 6d guest Wyckoff positions

Mechanical behaviors of nanocrystalline Cu/SiC composites: An atomistic investigation

Nonmonotonic Diameter Dependence of Thermal Conductivity of Extremely Thin Si Nanowires: Competition between Hydrodynamic Phonon Flow and Boundary Scattering

Unprecedented mechanical response of the lattice thermal conductivity of auxetic carbon crystals

Prediction of Giant Thermoelectric Effciency Induced by Nanotwin Structures

An excellent candidate for largely reducing interfacial thermal resistance: a nano-confined mass graded interface

Boundary scattering effect on the thermal conductivity of nanowires

Record Low Thermal Conductivity of Polycrystalline Si Nanowire: Breaking the Casimir Limit by Severe Suppression of Propagons

Strong Surface Orientation Dependent Thermal Transport in Si Nanowires

Tailoring thermal conductivity of AlN films by periodically aligned surface nano-grooves

The morphology of graphene on a non-developable concave substrate

The typical manners of dynamic crack propagation along the metal/ceramics interfaces: A molecular dynamics study

Effect of folded and crumpled morphologies of graphene oxide platelets on the mechanical performances of polymer nanocomposites

Mechanics of nanoscale wrinkling of graphene on a non-developable surface

Quantitatively analyzing phonon spectral contribution of thermal conductivity based on nonequilibrium molecular dynamics simulations. I. From space Fourier transform

Quantitatively analyzing phonon spectral contribution of thermal conductivity based on nonequilibrium molecular dynamics simulations. II. From time Fourier transform

Nanoscale Wrinkling of Graphene on Substrate with Asperities

Predicting Phonon Mode Contribution Based on Non-equilibrium Molecular Dynamics Simulation

Crack propagation behaviors at Cu/SiC interface by molecular dynamics simulation

Dynamic crack propagation in copper bicrystals grain boundary by atomistic simulation

Crack Propagation at Grain Boundaries in Nano-copper Bicrystal

Strong phonon localization in PbTe with dislocations and large deviation to Matthiessen’s rule

Article

Enormous suppression of phonon transport in silicon nanowires with five-fold twin boundary

Article

Extremely Low Thermal Conductivity of Polycrystalline Silicene

Article

Methodology Perspective of Computing Thermal Transport in Low-dimensional Materials and Nanostructures: the Old and the New

Article

Strong anharmonic phonon scattering induced giant reduction of thermal conductivity in PbTe nanotwin boundary

Article

Thermal transport crossover from crystalline to partial-crystalline partial-liquid state

Article

Two-Channel Thermal Transport in Ordered–Disordered Superionic Ag₂Te and Its Traditionally Contradictory Enhancement by Nanotwin Boundary

Article

Atomistic Simulations of Phononic and Magnonic Thermal Transport in Magnetic Materials

Conference paper

Thermal Transport Crossover From Crystalline to Partial-Crystalline Partial-Liquid State

Conference paper

Decouple electronic and phononic transport in nanotwinned structures: a new strategy for enhancing the figure-of-merit of thermoelectrics

Article

First-principles and molecular dynamics study of thermoelectric transport properties of N-type silicon-based superlattice-nanocrystalline heterostructures

Article

Full quantification of frequency-dependent interfacial thermal conductance contributed by two- and three-phonon scattering processes from nonequilibrium molecular dynamics simulations

Article

Giant reduction in thermal conductivity of extended type-I silicon clathrates and prominent thermal effect of 6d guest Wyckoff positions

Article

Mechanical behaviors of nanocrystalline Cu/SiC composites: An atomistic investigation

Article

Nonmonotonic Diameter Dependence of Thermal Conductivity of Extremely Thin Si Nanowires: Competition between Hydrodynamic Phonon Flow and Boundary Scattering

Article

Unprecedented mechanical response of the lattice thermal conductivity of auxetic carbon crystals

Article

Prediction of Giant Thermoelectric Effciency Induced by Nanotwin Structures

Conference paper

An excellent candidate for largely reducing interfacial thermal resistance: a nano-confined mass graded interface

Article

Boundary scattering effect on the thermal conductivity of nanowires

Article

Record Low Thermal Conductivity of Polycrystalline Si Nanowire: Breaking the Casimir Limit by Severe Suppression of Propagons

Article

Strong Surface Orientation Dependent Thermal Transport in Si Nanowires

Article

Tailoring thermal conductivity of AlN films by periodically aligned surface nano-grooves

Article

The morphology of graphene on a non-developable concave substrate

Article

The typical manners of dynamic crack propagation along the metal/ceramics interfaces: A molecular dynamics study

Article

Effect of folded and crumpled morphologies of graphene oxide platelets on the mechanical performances of polymer nanocomposites

Article

Mechanics of nanoscale wrinkling of graphene on a non-developable surface

Article

Quantitatively analyzing phonon spectral contribution of thermal conductivity based on nonequilibrium molecular dynamics simulations. I. From space Fourier transform

Article

Quantitatively analyzing phonon spectral contribution of thermal conductivity based on nonequilibrium molecular dynamics simulations. II. From time Fourier transform

Article

Nanoscale Wrinkling of Graphene on Substrate with Asperities

Conference paper

Predicting Phonon Mode Contribution Based on Non-equilibrium Molecular Dynamics Simulation

Conference paper

Crack propagation behaviors at Cu/SiC interface by molecular dynamics simulation

Article

Dynamic crack propagation in copper bicrystals grain boundary by atomistic simulation

Article

Crack Propagation at Grain Boundaries in Nano-copper Bicrystal

Conference paper