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The interfacial thermal conductance spectrum in nonequilibrium molecular dynamics simulations considering anharmonicity, asymmetry and quantum effects

https://doi.org/10.1039/d2cp03081k
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Broadly manipulating the interfacial thermal energy transport across the Si/4H-SiC interfaces via nanopatterns
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UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
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Thermal conductance of metal–diamond interfaces at high pressure
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Inelastic phonon transport across atomically sharp metal/semiconductor interfaces
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Phonon Transport at Crystalline Si/Ge Interfaces: The Role of Interfacial Modes of Vibration
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An excellent candidate for largely reducing interfacial thermal resistance: a nano-confined mass graded interface
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Using Green-Kubo modal analysis (GKMA) and interface conductance modal analysis (ICMA) to study phonon transport with molecular dynamics
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Assessing the quantum effect in classical thermal conductivity of amorphous silicon
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Heat transport in low-dimensional systems
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The Atomistic Green's Function Method: An Efficient Simulation Approach for Nanoscale Phonon Transport
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Conductance from transmission: common sense points
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Highly convergent schemes for the calculation of bulk and surface Green functions
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A formalism for calculating the modal contributions to thermal interface conductance
inferredcites →https://doi.org/10.1088/1674-1056/ac4238openalex-snapshot
Impact of thermostat on interfacial thermal conductance prediction from non-equilibrium molecular dynamics simulations
inferredcites →https://doi.org/10.1093/acprof:oso/9780198507796.001.0001openalex-snapshot
Electrons and Phonons: The Theory of Transport Phenomena in Solids
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Computer Simulation of Liquids
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Energy-Flux Operator for a Lattice
inferredcites →https://doi.org/10.1103/physrev.60.354openalex-snapshot
Heat Transfer and Superfluidity of Helium II
inferredcites →https://doi.org/10.1103/physrevb.101.041301openalex-snapshot
Rigorous formalism of anharmonic atomistic Green's function for three-dimensional interfaces
inferredcites →https://doi.org/10.1103/physrevb.102.195412openalex-snapshot
Quantum mechanical modeling of anharmonic phonon-phonon scattering in nanostructures
inferredcites →https://doi.org/10.1103/physrevb.103.174306openalex-snapshot
Anharmonic phonon-phonon scattering at the interface between two solids by nonequilibrium Green's function formalism
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Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
inferredcites →https://doi.org/10.1103/physrevb.79.064301openalex-snapshot
Predicting phonon properties and thermal conductivity from anharmonic lattice dynamics calculations and molecular dynamics simulations
inferredcites →https://doi.org/10.1103/physrevb.79.224305openalex-snapshot
Assessing the applicability of quantum corrections to classical thermal conductivity predictions
inferredcites →https://doi.org/10.1103/physrevb.90.134312openalex-snapshot
Role of anharmonic phonon scattering in the spectrally decomposed thermal conductance at planar interfaces
inferredcites →https://doi.org/10.1103/physrevb.92.094301openalex-snapshot
Force and heat current formulas for many-body potentials in molecular dynamics simulations with applications to thermal conductivity calculations
inferredcites →https://doi.org/10.1103/physrevb.92.195205openalex-snapshot
Quantitatively analyzing phonon spectral contribution of thermal conductivity based on nonequilibrium molecular dynamics simulations. II. From time Fourier transform
inferredcites →https://doi.org/10.1103/physrevb.95.085310openalex-snapshot
Thermal transport across metal silicide-silicon interfaces: First-principles calculations and Green's function transport simulations
inferredcites →https://doi.org/10.1103/physrevb.95.115313openalex-snapshot
Full quantification of frequency-dependent interfacial thermal conductance contributed by two- and three-phonon scattering processes from nonequilibrium molecular dynamics simulations
inferredcites →https://doi.org/10.1103/physrevb.96.161201openalex-snapshot
Four-phonon scattering significantly reduces intrinsic thermal conductivity of solids
inferredcites →https://doi.org/10.1103/physrevb.99.045301openalex-snapshot
Unexpected high inelastic phonon transport across solid-solid interface: Modal nonequilibrium molecular dynamics simulations and Landauer analysis
inferredcites →https://doi.org/10.1103/physreve.93.052141openalex-snapshot
Spectral mapping of heat transfer mechanisms at liquid-solid interfaces
inferredcites →https://doi.org/10.1103/physrevlett.93.184301openalex-snapshot
Thermal Diode: Rectification of Heat Flux
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Heat Transfer between Two Nanoparticles Through Near Field Interaction
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Thermal boundary resistance
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Colloquium : Phononics: Manipulating heat flow with electronic analogs and beyond
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Simulation of Interfacial Phonon Transport in Si–Ge Heterostructures Using an Atomistic Green’s Function Method
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THE TRANSPORT OF HEAT BETWEEN DISSIMILAR SOLIDS AT LOW TEMPERATURES
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Quantum thermal transport in nanostructures

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Thermal boundary conductance of metal–diamond interfaces predicted by machine learning interatomic potentials
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Anharmonic heat transport at metal–water interfaces: The role of molecular mobility
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The liquid utilisation bottleneck in interfacial thermal conductance at metal/water interfaces
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Structure-dependent thermal transport in two-dimensional PdTe2
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Gr/HEA-Fe NiCrCoCu interface getting excellent thermal transport
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Effect of surface vacancy defects on the phonon thermal transport across GaN/diamond interface
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The atomic-mass convergence mechanism in interfacial thermal transport of metal-semiconductor heterojunctions
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Tunable Thermal Conductivity of Sustainable Geopolymers by the Si/Al Ratio and Moisture Content: Insights from Atomistic Simulations
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Thermal Transport Modulation via Interfacial Vacancy Defects in Carbon/Boron Nitride Heteronanotubes
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Insights into Thermal Conductivity at the MOF-Polymer Interface
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Ultrahigh Interfacial Thermal Conductance in Borophene Heterostructures Enabled by the Phonon Bridge
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The molecular dynamic studies of thermal conductivity of SiC ceramic derived from β/α phase transformation
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Interfacial thermal transport spectroscopy: a review of theory and experiment
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Tuning the thermal conductivity of a silicon membrane using nanopillars: From crystalline to amorphous pillars
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Roughness dependence of phonon-interface thermal transport: Theoretical model and Monte Carlo simulation
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Metric for quantifying elastic and inelastic thermal transport at interfaces
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Bias Dependence of Non-Fourier Heat Spreading in GaN HEMTs
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Molecular Dynamics Simulations in Nanoscale Heat Transfer: A Mini Review
Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.