posted on 2025-10-23, 12:06authored byJiayin Li, Guoqing Zhao, Yanna Chen, Jin Wang, Xinxin Li, Jingyu Qin
Structural characterization for Faber-Ziman partial structure factors, Dynamic characterization for the inter-diffusion coefficient, Calculated partial structure factors for liquid Ti-Al alloys, Composition dependence of velocity autocorrelation functions, The convergence of trajectory in the calculations of structural and dynamic properties