相关论文: Determination of Thermal Accommodation Coefficient…
Understanding the thermal properties of two-dimensional (2D) materials and devices is essential for thermal management of 2D applications. Here we perform molecular dynamics simulations to evaluate both the specific heat of $MoS_{2}$ as…
The success of density functional theory for the description of the adsorption of atoms on surfaces is well established, and based on recent calculations using gradient corrections, it has been shown that it also describes well the…
Gallium oxide (Ga$_2$O$_3$) has attracted significant interest for its unique potential especially in power electronics. However, its low and anisotropic thermal conductivity poses a major challenge for heat dissipation. Here, we explore an…
Robust and non-destructive material classification is a challenging but crucial first-step in numerous vision applications. We propose a physics-guided material classification framework that relies on thermal properties of the object. Our…
Here, we study the thermoelectric properties of topological semimetal CoSi in the temperature range $300-800$ K by using combined experimental and density functional theory (DFT) based methods. CoSi is synthesized using arc melting…
Recent measurements of an unusual high thermal conductivity of around 1000 W m-1 K-1 at room temperature in cubic boron arsenide (BAs) confirm predictions from theory and suggest potential applications of this semiconductor compound for…
In one and two dimensions, transport coefficients may diverge in the thermodynamic limit due to long--time correlation of the corresponding currents. The effective asymptotic behaviour is addressed with reference to the problem of heat…
Many complex crystals show a flattening or even increasing lattice thermal conductivity at high temperatures, which deviates from the traditional 1/T decay trend given by conventional phonon theory. In this work, we predict the thermal…
-We have performed a new efficient method to calculate numerically the transport coefficients at high temperature. The collision theory was treated to study singularities that occur when evaluating the collision cross section. The transport…
We apply a previously developed asymptotic model (J. Fluid. Mech. 915, A133 (2021)) to study instabilities of free surface films of nanometric thickness on thermally conductive substrates in two and three spatial dimensions. While the…
The large temperature difference between cold gas clouds around galaxies and the hot halos that they are moving through suggests that thermal conduction could play an important role in the circumgalactic medium. However, thermal conduction…
At the nanoscale, the thermal boundary conductance (TBC) and thermal conductivity are not intrinsic properties of interfaces or materials but depend on the nearby environment. However, most studies focused on single interfaces or…
Building energy performance is one of the key features in performance-based building design decision making. Building envelope materials can play a key role in improving building energy performance. The thermal properties of building…
Thermoelectric materials are opening a promising pathway to address energy conversion issues governed by a competition between thermal and electronic transport. Improving the efficiency is a difficult task, a challenge that requires new…
(abridged) The calculation of the thermal stratification in the superadiabatic layers of stellar models with convective envelopes is a long standing problem of stellar astrophysics, and has a major impact on predicted observational…
Elastic and structural properties of $\beta$-Ga$_2$O$_3$ and $\alpha$-Ga$_2$O$_3$ are investigated from first principles. The full elastic tensors and elastic moduli of both phases at $0$ K are computed in the framework of semi-local…
The thermo-electrical properties of a complex silicon cantilever structure used in thermal scanning probe lithography are modeled based on well established empirical laws for the thermal conductivity in silicon, the electrical conductivity…
The thermal boundary resistance of Si/Ge interfaces as been determined using approach-to-equilibrium molecular dynamics simulations. Assuming a reciprocal linear dependence of the thermal boundary resistance, a length-independent bulk…
In this work we present a molecular dynamics investigation of thermal transport in a silica-gallium nitride nanocomposite. A surprising enhancement of the thermal conductivity for crystalline volume fractions larger than 5% is found, which…
The thermal transport properties of porous silicon and nano-hybrid "porous silicon/water" systems are presented here. The thermal conductivity was evaluated with equilibrium molecular dynamics technique for porous systems made of spherical…