相关论文: Nonmonotonic dependence of the absolute entropy on…

A novel liquid-liquid phase transition has been proposed and investigated in a wide variety of pure substances recently, including water, silica and silicon. From computer simulations using the Stillinger-Weber classical empirical…

First principles molecular dynamics simulations reveal a liquid-liquid phase transition in supercooled elemental silicon. Two phases coexist below $T_c\approx 1232K$. The low density phase is nearly tetra-coordinated, with a pseudogap at…

We study the kinetics of crystallization in deeply supercooled liquid silicon employing computer simulations and the Stillinger-Weber three body potential. The free energy barriers to crystallisation are computed using umbrella sampling…

The supercooled liquid silicon, modeled by Stillinger-Weber potential, shows anomalous increase in heat capacity $C_p$, with a maximum $C_p$ value close to 1060 K at zero pressure. We study equilibration and relaxation of the supercooled SW…

It was recently demonstrated that the Stillinger-Weber silicon undergoes a liquid-liquid first-order phase transition deep into the supercooled region (Sastry and Angell, Nature Materials 2, 739 (2003)). Here we study the effects of…

The existence of a phase transition between two distinct liquid phases in single-component network-forming liquids (e.g., water, silica, silicon) has elicited considerable scientific interest. The challenge, both for experiments and…

We first present a comparative analysis of temperature evolution of the excess thermodynamic potentials (state functions), the enthalpy $\Delta H$, entropy $\Delta S$ and Gibbs free energy $\Delta \Phi$, determined for \textit{i})…

We examine the stiffness of the Heisenberg spin-glass (SG) model at both zero temperature (T=0) and finite temperatures ($T \ne 0$) in three dimensions. We calculate the excess energies at T=0 which are gained by rotating and reversing all…

With decreasing density $n_s$ the thermopower $S$ of a low-disorder 2D electron system in silicon is found to exhibit a sharp increase by more than an order of magnitude, tending to a divergence at a finite, disorder-independent density…

We report constant-volume and constant-pressure simulations of the thermodynamic and dynamic properties of the low-temperature liquid and crystalline phases of the modified Stillinger-Weber (mSW) model. We have found an approximately linear…

We examine the behavior of entanglement entropy of a subsystem $A$ in a fully backreacted holographic model of a $1+1$ dimensional $p$ wave superconductor across the phase transition. For a given temperature, the system goes to a…

In this study Mo-Nb-Ta-W refractory high-entropy alloys (R-HEAs) have been studied for their phase stability for a wide temperature range (100 K to 2000 K). The equilibrium thermodynamic phases are determined by the changes in enthalpy and…

As it is known from visible light experiments, silicon under femtosecond pulse irradiation can undergo the so-called 'nonthermal melting' if the density of electrons excited from the valence to the conduction band overcomes a certain…

The configurational entropy is among the key observables to characterize experimentally the formation of a glass. Physically, it quantifies the multiplicity of metastable states in which an amorphous material can be found at a given…

The thermodynamic liquid-state anomalies and associated structural changes of the Stillinger-Weber family of liquids are mapped out as a function of the degree of tetrahedrality of the interaction potential, focusing in particular on…

We explore the phase diagram of TIP4P-Ew [J. Chem. Phys. {\bf 120}, 9665 (2004)] liquid model water from the boiling-point down to $150 {K}$ at densities ranging from $0.950 {g} {cm}^{-3}$ to $1.355 {g} {cm}^{-3}$. In addition to the…

Specific heat measurements from 2 to 300 K of hydrogenated amorphous silicon prepared by hot-wire chemical vapor deposition show a large excess specific heat at low temperature, significantly larger than the Debye specific heat calculated…

We investigate the time evolution of the temperature and entropy of a gravitationally collapsing cylinder, represented by an infinitely thin domain wall, as seen by an asymptotic observer. Previous work has shown that the entropy of a…

Half-Heusler (HH) alloys are potential thermoelectric materials for use at elevated temperatures due to their high Seebeck coefficient and superior mechanical and thermal stability. However, their enhanced lattice thermal conductivity is…

In both canonical ensemble and grand canonical ensemble, the thermodynamic stability and phase structure of Einstein-Euler-Heisenberg-AdS black hole are studied. We derive the Hawking temperature, Helmholtz free energy, Gibbs potential,…