Estimating the Energy State of Liquids

Abstract

Abstract:In contrast to the gaseous and the solid states, the liquid state does not have a simple model that could be developed into a quantitative theory. A central issue in the understanding of liquids is to estimate the energy state of liquids. Here, on the basis of our recent studies on crystal melting, we show that the energy sate of liquids may be reasonably approximated by the energy and volume of a vacancy. Consequently, estimation of the liquid state energy is significantly simplified comparing with previous methods that inevitably invoke many-body interactions. Accordingly, a possible equation for the state for liquids is proposed. On this basis, it seems that a simple model for liquids is in sight.

Atomistics of self-diffusion in liquid metals

“…We approached this issue by considering the continuity of liquids and corresponding crystals at the instant of melting [4] and proposed to estimate the energy state of liquids by using the energy of a vacancy divided among the first shell atoms [3]. By doing so, the many-body potentials are included in the formation energy of a vacancy, with which complex calculations were avoided to know liquid properties.…”

“…Such a situation is traced back through the pre-LAM ages in the early 20 th century to the days of van der Waals around 1873 [1][2][3][4].…”

Some Issues in Liquid Metals Research

“…

The ten articles [1][2][3][4][5][6][7][8][9][10] included in this Special Issue on "Liquid Metals" do not intend to comprehensively cover this extensive field, but, rather, to highlight recent discoveries that have greatly broadened the scope of technological applications of these materials. Improvements in understanding the physics of liquid metals are, to a large extent, due to the powerful theoretical tools in the hands of scientists, either semi-empirical [1,5,6] or ab initio (molecular dynamics, see [7]).

…”

“…After having pointed out that, contrary to the gaseous and solid states, developing simple models of liquid metals that can lead to semi-or even quantitative predictions, involve serious difficulties not yet satisfactorily overcome, Wang [1] starts describing his proposal. The author shows that the energy sate of liquids may be approximated reasonably well by the energy and volume of a vacancy.…”

“…Improvements in understanding the physics of liquid metals are, to a large extent, due to the powerful theoretical tools in the hands of scientists, either semi-empirical [1,5,6] or ab initio (molecular dynamics, see [7]). Surface tension and wetting at metal/ceramic interfaces is an everlasting field of fundamental research with important technological implications.…”