Department of Physics, Center for Materials Innovation, Washington University, St. Louis, Missouri 63130-4899, USA.
J Chem Phys. 2011 Jul 28;135(4):044502. doi: 10.1063/1.3609925.
The x-ray structure factors and densities for liquid aluminum from 1123 K to 1273 K have been measured using the beamline electrostatic levitator. Atomic structures as a function of temperature have been constructed from the diffraction data with reverse Monte Carlo simulations. An analysis of the local atomic structures in terms of the Honeycutt-Andersen indices indicates a high degree of icosahedral and distorted icosahedral order, a modest amount of body-centered cubic order, and marginal amounts of face-centered cubic and hexagonal close-packed order.
已使用束流线静电悬浮装置测量了 1123 K 至 1273 K 液态铝的 X 射线结构因子和密度。利用衍射数据和反向蒙特卡罗模拟构建了随温度变化的原子结构。根据 Honeycutt-Andersen 指数对局部原子结构进行分析表明，具有高度的二十面体和畸变二十面体有序性、适量的体心立方有序性以及少量的面心立方和六方密堆积有序性。
