径向分布函数
共晶体系
对分布函数
结构因子
逆向蒙特卡罗
衍射
分布函数
粘度
协调数
材料科学
热力学
化学
分析化学(期刊)
结晶学
合金
中子衍射
计算化学
分子动力学
物理
冶金
光学
离子
有机化学
色谱法
量子力学
作者
Prakash Srirangam,Manickaraj Jeyakumar,Matt Kramer,Sumanth Shankar
标识
DOI:10.1080/14786435.2011.597360
摘要
The liquid structure of Al–Si hypoeutectic binary alloys was characterized by diffraction experiments using a high-energy X-ray (synchrotron) beam source. The diffraction experiments were carried out for liquid pure Al, Al–3 wt% Si, Al–7 wt% Si, Al–10 wt% Si and Al–12.5 wt% Si alloys at several temperatures. The salient structure information such as structure factor (SF), pair distribution function (PDF), radial distribution function (RDF), coordination number (CN) and atomic packing densities (PD) were quantified as a function of Si concentration and melt temperatures. Reverse Monte Carlo (RMC) analysis was carried out using the diffraction experimental data to quantify the partial pair correlation functions, such as partial structure factor, partial pair distribution function (PPDF) and partial radial distribution function. Furthermore, the partial pair distribution function and the liquid atomic structure information were used in a semi-empirical model to evaluate the viscosity of these liquid alloys at various melt temperatures. The results show that the viscosity determined by semi-empirical methods using the atomic structure information is in good agreement with the experimentally determined viscosity values.
科研通智能强力驱动
Strongly Powered by AbleSci AI