Archer A J
H.H. Wills Physics Laboratory, University of Bristol, Bristol BS8 1TL, United Kingdom.
Phys Rev E Stat Nonlin Soft Matter Phys. 2005 Nov;72(5 Pt 1):051501. doi: 10.1103/PhysRevE.72.051501. Epub 2005 Nov 8.
We present a simple density functional theory for the solid phases of systems of particles interacting via soft-core potentials. In particular, we apply the theory to particles interacting via repulsive point Yukawa and Gaussian pair potentials. We find qualitative agreement with the established phase diagrams for these systems. The theory is able to account for the bcc-fcc solid transitions of both systems and the re-entrant melting that the Gaussian system exhibits.
我们提出了一种用于通过软核势相互作用的粒子系统固相的简单密度泛函理论。特别地，我们将该理论应用于通过排斥性点 Yukawa 势和高斯对势相互作用的粒子。我们发现与这些系统已有的相图在定性上是一致的。该理论能够解释这两个系统的体心立方 - 面心立方固相转变以及高斯系统所呈现的再入熔化现象。
