相关论文: Melting Si: beyond density functional theory
As with many parts of the natural sciences, machine learning interatomic potentials (MLIPs) are revolutionizing the modeling of molecular crystals. However, challenges remain for the accurate and efficient calculation of sublimation…
Considering a copper wire heated by Joule effect and the variation of its resistivity and specific heat with temperature, we established numerical and analytical solutions (between 293 and 1356 K for the latter) for the evolution of its…
We present explicit, analytical heating formulas that predict the heating rates of spherical, nonneutral plasmas stored in a Paul trap as a function of cloud size $S$, particle number $N$, and Paul-trap control parameter $q$ in the…
The temperature dependence of the first-order phonon mode of single crystal of Silicon (Si) is determined by Raman scattering in a broad temperature range of 4-623 K. Our studies reveal the anomalous red-shift of the Raman active phonon…
New determinations of effective temperatures of 23 magnetic, chemically peculiar (mCP) stars were obtained from a fit of metal enhanced model atmospheres to the observed spectral energy distributions (SED) from UV to red. The…
The superconducting transition temperatures of high-Tc compounds based on copper, iron, ruthenium and certain organic molecules are discovered to be dependent on bond lengths, ionic valences, and Coulomb coupling between electronic bands in…
One of the crucial steps in the design of an integrated circuit is the minimization of heating and temperature non-uniformity. Current temperature calculation methods, such as finite element analysis and resistor networks have considerable…
We study the QCD phase diagram using the linear sigma model coupled to quarks. We compute the effective potential at finite temperature and quark chemical potential up to ring diagrams contribution. We show that, provided the values for the…
Electron excitations at silicon and 3C-SiC surfaces caused by an intense femtosecond laser pulse can be calculated by solving the time-dependent density functional theory and the Maxwell's equation simultaneously. The energy absorption,…
The plasma heating during collisionless magnetic reconnection is investigated using particle-in-cell simulations. We analyze the time evolution of the plasma temperature associated with the motion of the reconnecting flux tube, where the…
It was recently demonstrated that feeding a silicon-in-silica coaxial fibre into a flame$\mathord{-}$imparting a steep silica viscosity gradient$\mathord{-}$results in the formation of silicon spheres whose size is controlled by the feed…
The Earth's core consists of a solid ball with a radius of 1221 Km, surrounded by a liquid shell which extends up to 3480 Km from the centre of the planet, roughly half way towards the surface (the mean radius of the Earth is 6373 km). The…
Ring polymer molecular dynamics (RPMD) is an accurate method for calculating thermal chemical reaction rates. It has recently been discovered that low-temperature calculations are strongly affected by the simulation parameters. Here, for…
We compute the single particle spectral function of a Bose liquid on a lattice, at integer filling, close to the superfluid-Mott transition. We use a `static path approximation' that retains all the classical thermal fluctuations in the…
Laser excitation in silicon from femto- to pico-second time scales is studied. We assume the Three-Temperature Model (3TM) which describes the dynamics of the distinct quasi-temperatures for electrons, holes, and lattice. Numerical results…
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…
We use the linear sigma model coupled to quarks, together with a plausible location of the critical end point (CEP), to study the chiral symmetry transition in the QCD phase diagram. We compute the effective potential at finite temperature…
Quantum coherence control usually requires extremely low temperature environments. Even for spins in diamond, a remarkable exception, the coherence signal is lost as temperature approaches 700 K. Here we demonstrate quantum coherence…
The level density at low spin in the 161,162-Dy and 171,172-Yb nuclei has been extracted from primary gamma rays. The nuclear heat capacity is deduced within the framework of the canonical ensemble. The heat capacity exhibits an S-formed…
We report ab initio calculations of the melting curve of molybdenum for the pressure range 0-400 GPa. The calculations employ density functional theory (DFT) with the Perdew-Burke-Ernzerhof exchange-correlation functional in the projector…