相关论文: Phase transformation on heating of an aged cement …

We use density functional molecular dynamics (DFT-MD) to study the effect of finite temperature exchange-correlation (xc) in Hydrogen. Using the Kohn-Sham approach, the xc energy of the system, $E_{xc}(r_{s})$ is replaced by the xc free…

Near 20.48K and in the temperature range 60--70K, anomalous behavior of thermodynamic, spectral, plastic, elastic and other properties of solid methane is observed. The anomalies in the vicinity of 20.48K are due to the phase $\alpha-\beta$…

We generalize our earlier work on neutron stars (arXiv:1903.04981), which assumed spherical Wigner-Seitz cells in the inner crust, to admit the possibility of pasta phases, i.e., non-spherical cell shapes. Full fourth-order extended…

Ceramic samples, produced by conventional sintering method in ambient air, 6H-SrMnO$_3$(6H-SMO), 15R-BaMnO$_3$(15R-BMO), 4H-Ba$_{0.5}$Sr$_{0.5}$MnO$_3$(4H-BSMO) were studied. In the XRD measurements for SMO the new anomalies of the lattice…

The martensitic {\alpha} --> {\omega} transition was investigated in Ti under hydrostatic pressure. The calculations were carried out using the density functional theory (DFT) framework in combination with the Birch-Murnaghan equation of…

Thermodynamic properties of the four-dimensional cross-polytope model, the 16-cell model, which is an example of higher dimensional generalizations of the octahedron model, are studied on the square lattice. By means of the corner transfer…

The model of hydrogen migration and of the reactions of hydrogen atoms with electrically active impurity, developed earlier, has been applied to simulate hydrogen diffusion and passivation process during plasma deuteration of silicon…

Precursor powders of BaMg2-xCoxFe16O27 with (x = 0.0, 1.0, and 2.0) were prepared using high-energy ball milling, and the effects of chemical composition and sintering temperature on the structural and magnetic properties were investigated…

Optical properties of compressed fluid hydrogen in the region where dissociation and metallization is observed are computed by ab-initio methods and compared to recent experimental results. We confirm that above 3000 K both processes are…

We study thermalization of charged SYK model in two different phases. We show that both the highly chaotic liquid phase and the dilute gas phase thermalize. Surprisingly the dilute gas state thermalizes instantaneously. We argue that this…

This work is an experimental and numerical study of the thermal performance of building envelope structures incorporating a solid-solid phase change material (S-S PCM), consisting in a cross-linked polyurethane designated as PUX-1500-20.…

The present work explores the suitability of Al-Cu-Si ternary alloys as hightemperature metallic phase change materials (PCMs) for thermal energy storage systems (TESS) operating between 550__C and 850__C. While prior research has primarily…

\textit{Ab initio} random structure searching based on density functional theory is used to determine the ground-state structures of ice at high pressures. Including estimates of lattice zero-point energies, ice is found to adopt three…

The fraction of heavy vector mesons produced in a heavy ion collision, as compared to a proton proton collision, serves as an important indication of the formation of a thermal medium, the quark gluon plasma. This sort of analysis strongly…

Loss processes that remove particles from an atom trap leave holes behind in the single particle distribution if the trapped gas is a degenerate fermion system. The appearance of holes increases the temperature and we show that the heating…

We investigate the liquid-solid transition of two dimensional hard spheres in the presence of gravity. We determine the transition temperature and the fraction of particles in the solid regime as a function of temperature via Even-Driven…

Phase change materials (PCMs) are well-known for their reversible and rapid switching between crystalline and amorphous phases through thermal excitations mediated by strong electrical or laser pulses. This crystal-to-amorphous transition…

We have researched the effect of the zirconium deformation by the extension at the temperature of 4.2 K, with the subsequent heating up to the room temperature of 300 K, on both the zirconium crystal grating structure and the magnitude of…

The melting transitions of a colloidal lattice confined to a two-dimensional ($2D$) periodic substrate of square symmetry are studied using Monte Carlo simulations. When the strengths of interparticle and particle-substrate interactions are…

The effect of finite temperature $T$ and finite strain rate $\dot\gamma$ on the statistical physics of plastic deformations in amorphous solids made of $N$ particles is investigated. We recognize three regimes of temperature where the…