We report the equilibrium geometries and the electronic structures of Nan clusters in the size range of n =55–62 using density-functional method. An analysis of the evolutionary trends in their ground state geometries reveals that Na58 has a spherical shape which is driven by the closed-shell nature of the electronic structure. This structure shows a significant large network connected by short...

Mantle–melt interaction during melt transport is explored in one generally moves relative to the residual solid phases. This follows from experimental and theoretical studies of the dimension and steady state. We reconsider the equivalence between one-dimensional steady equilibrium transport and batch melting. In equilibrium textures of olivine-dominated, partially molten systems, which indicat...

The Kelvin equation, the Gibbs equation and the Gibbs-Thomson equation are compared. It is shown that the Kelvin equation (on equilibrium vapor pressure above nano-droplets) can be derived if the inner pressure due to the curvature (from the Laplace equation) is substituted incorrectly into the external pressure term of the Gibbs equation. Thus, the Kelvin equation is excluded in its present fo...

Water exhibits a maximum in density at normal pressure at 4 degrees above its melting point. The reproduction of this maximum is a stringent test for potential models used commonly in simulations of water. The relation between the melting temperature and the temperature of maximum density for these potential models is unknown mainly due to our ignorance about the melting temperature of these mo...

High temperature deformation behavior of cast 310S stainless steel has been investigated in this study by performing tensile and compression tests at temperatures from 900 to 1200C. Rectangular ingots of which the dimensions were 350×350×100 in millimeter were cast using vacuum induction melting. Phase equilibrium was calculated using the FactSage®, thermodynamic software and database. Thermal ...

Using non-equilibrium computer simulations, it is shown that various phenomenological criteria for melting and freezing hold not only in equilibrium but in steady-state non-equilibrium as well. In particular, we study the steady state of charge-polydisperse Brownian particles shaken by a time-dependent oscillatory electric field. Among these criteria are the Lindemann melting rule, the Hansen–V...

Melting is considered to be one of the most fundamental problems in physical science. Generally, dimensionality plays an important role in melting. In three-dimension, it's well known that a crystal melts directly into a liquid via a first-order transition. In two-dimension (2D), however, the melting process has been widely debated whether it is a first-order transition or a two-step transition...

Solid fuels, including biomass, consist of combustible, ash and water. Ash in fuel is result of reaction of minerals presented in the biomass. Minerals and other different substances which form ash got into biomass during growth. Ash is solid residue resulted from the perfect laboratory combustion of fuel. It is composed of minerals that are present in the fuel. Some species of biomass ash have...