相关论文: Temperature-dependent stability of polytypes and s…
SiC polytypes have been studied for decades, both experimentally and with atomistic simulations, yet no consensus has been reached on the factors that determine their stability and growth. Proposed governing factors are…
Stacking fault energy dictates phase stability and deformation behavior in Co alloys and WC-Co cemented carbides, yet a quantitative assessment of alloying effects at finite temperatures remains poorly established. By integrating…
In the framework of the suggested in [arxiv:1803.08247 [cond-mat.mtrl-sci]] statistical theory of the equilibrium flow stress, including yield strength, ${\sigma}_y$, of polycrystalline materials under quasi-static (in case of tensile…
Direct observation of temperature dependence of individual bands of semiconductors for a wide temperature region is not straightforward, in particular. However, this fundamental property is a prerequisite in understanding the…
Density functional theory calculations with a correction of the long-range dispersion force, namely the van der Waals (vdW) force, are performed for SiC polytypes. The lattice parameters are in good agreement with those obtained from…
The thermochromic properties (color change with temperature) of n type doped SiC wafers of different polytypes (3C, 4H and 6H) have been investigated up to 500$^\circ$C under air. It was found that 3C-SiC color passes from bright yellow at…
We explore the instabilities developed in a fluid in which viscosity depends on temperature. In particular, we consider a dependency that models a very viscous (and thus rather rigid) lithosphere over a convecting mantle. To this end, we…
A combination of classical density-functional theory and thermodynamic perturbation theory is applied to a survey of finite-temperature trends in the relative stabilities of one-component crystals and quasicrystals interacting via effective…
We introduce a new model of algorithmic tile self-assembly called size-dependent assembly. In previous models, supertiles are stable when the total strength of the bonds between any two halves exceeds some constant temperature. In this…
Stacking polymorphism is a common characteristic of van der Waals layered materials and can substantially modify their physical properties. Here, based on first-principles calculations combined with electron and phonon transport theories,…
Spin defects in silicon carbide (SiC) have attracted increasing interest due to their excellent optical and spin properties, which are useful in quantum information processing. In this paper, we systematically investigate the temperature…
The microscopic model of semi-crystalline polymer in high-elastic state is proposed. The model is based on the assumption that, below the melting temperature, the semi-crystalline polymer comprises crystal nuclei connected by stretched…
We present a joint theoretical and experimental study to investigate polymorphism in $\alpha$-sexithiophene (6T) crystals. By means of density-functional theory calculations, we clarify that the low-temperature phase is favorable over the…
The mechanical behaviors of polycrystalline solids are determined by the interplay between phenomena governed by two different thermodynamic temperatures: the configurational effective temperature that controls the density of dislocations,…
A stability criterion is worked out for the superconducting phase. The validity of a prerequisite, established previously for persistent currents, is thereby confirmed. Temperature dependence is given for the specific heat and concentration…
We study the temperature dependence of static and dynamic responses of Coulomb interacting particles in two-dimensional traps across the thermal crossover from an amorphous solid- to liquid-like behaviors. While static correlations, that…
The junction temperature is a very important parameter for monitoring power electronics converters based on MOSFET transistors. They offer the possibility of switching at relatively higher frequencies than other transistors like IGTBTs.…
X-ray and neutron powder diffraction data as a function of temperature are analyzed for the colossal dielectric constant material CaCu3Ti4O12. The local structure is studied using atomic pair distribution function analysis. No evidence is…
We study the thermal fluctuations of vortex positions in small vortex clusters in a harmonically trapped rotating Bose-Einstein condensate. It is shown that the order-disorder transition of two-shells clusters occurs via the decoupling of…
We develop a temperature dependent empirical pseudopotential theory to study the electronic and optical properties of self-assembled quantum dots (QDs) at finite temperature. The theory takes the effects of both lattice expansion and…