相关论文: Non-Linear Arrhenius Behavior of Self-Diffusion in…
Despite the widespread use of silicon in modern technology, its peculiar thermal expansion is not well-understood. Adapting harmonic phonons to the specific volume at temperature, the quasiharmonic approximation, has become accepted for…
In this work, we study the thermo-mechanical behavior of metallic structures designed to significantly change shape in response to thermal stimuli. This behavior is achieved by arranging two metals with different coefficient of thermal…
We adopted and extended an efficient Gr\"uneisen formalism to study the phonon anharmonicity and linear thermal expansion coefficients (TECs) of trigonal bismuth selenide (Bi$_2$Se$_3$) and antimony telluride (Sb$_2$Te$_3$). Anharmonicity…
We have investigated the finite temperature elastic properties of AlRE (RE=Y, Tb, Pr, Nd, Dy) with B2-type structures from first principles. The phonon free energy and thermal expansion is obtained from the quasiharmonic approach based on…
We use the nonperturbative linear \delta expansion method to evaluate analytically the coefficients c_1 and c_2^{\prime \prime} which appear in the expansion for the transition temperature for a dilute, homogeneous, three dimensional Bose…
Helium diffusion in metals is the basic requirement of nucleation and growth of bubble, which gives rise to adverse degradation effects on mechanical properties of structural materials in reactors under irradiation. Lattice based Kinetic…
The vibrational density of states $D(\omega)$ of solids controls their thermal and transport properties. In crystals, the low-frequency modes are extended phonons distributed in frequency according to Debye's law, $D(\omega) \propto…
We report thermal expansion measurements on Ca(Fe_(1-x)Co_x)_2As_2 single crystals with different thermal treatment, with samples chosen to represent four different ground states observed in this family. For all samples thermal expansion is…
The Arrhenius crossover temperature, $T_{A}$, corresponds to a thermodynamic state wherein the atomistic dynamics of a liquid becomes heterogeneous and cooperative; and the activation barrier of diffusion dynamics becomes…
We predict that the radiative heat-transfer rate between a cylinder and a perforated surface depends non-monotonically on their separation. This anomalous behavior, which arises due to near-field effects, is explained using a heuristic…
The lattice dynamics of the metallic tin {\beta} and {\gamma} polymorphs has been studied by a combination of diffuse scattering, inelastic x-ray scattering and density functional perturbation theory. The non-symmorphic space group of the…
Thermal expansion offers deep insights into phase transitions in condensed matter physics. Utilizing an advanced AC-temperature dilatometer with picometer resolution, this study clearly resolves the antiferromagnetic and structural…
We report ab-inito density functional theory calculation of phonons in cubic phase of ZrW2O8 in the entire Brillouin zone and identify specific anharmonic phonons that are responsible for large negative thermal expansion (NTE) in terms of…
Amorphous materials are also distinguished from crystals by their thermal properties. The structural disorder seems to be responsible both for a significant increase in heat capacity compared to crystals of the same composition, but also…
In an attempt to understand the role of the strong radial dependence of thermal diffusivity on the properties of convection in sun-like stars, we mimic that effect in non-Oberbeck-Boussinesq (NOB) convection in a horizontally-extended…
The self-diffusion coefficient of a granular gas in the homogeneous cooling state is analyzed near the shearing instability. Using mode-coupling theory, it is shown that the coefficient diverges logarithmically as the instability is…
We show how temperature-induced disorder can be combined in a direct way with first-principles scattering theory to study diffusive transport in real materials. Excellent (good) agreement with experiment is found for the resistivity of Cu,…
To elucidate the relationship between a crystal's structure, its thermal conductivity, and its phonon dispersion characteristics, an analysis is conducted on layered diatomic Lennard-Jones crystals with various mass ratios. Lattice dynamics…
The lattice thermal expansion and conductivity in bulk Mo and W-based transition metal dichalcogenides are investigated by means of density functional and Boltzmann transport theory calculations. To this end, a recent van der Waals density…
The paper studies the overdamped motion of Brownian particles in a tilted sawtooth potential. The dependencies of the diffusion coefficient and coherence level of Brownian transport on temperature, tilting force, and the shape of the…