Structural and mass transport properties of liquid ytterbium in the temperature range 1123 K–1473 K

作     者：D D Satikunvar N K Bhatt B Y Thakore D D Satikunvar;N K Bhatt;B Y Thakore

作者机构：Department of PhysicsSardar Patel UniversityVallabh VidyanagarGujarat 388120India Department of PhysicsMaharaja Krishnakumarsinhji Bhavnagar UniversityBhavnagarGujarat 364001India 

出 版 物：《Chinese Physics B》 (中国物理B（英文版）)

年 卷 期：2023年第32卷第6期

页      面：481-488页

核心收录：

学科分类：07[理学] 070205[理学-凝聚态物理] 0702[理学-物理学] 

基　　金：DDS and BYT are thankful to the Department of Physics  Sardar Patel University  Vallabh Vidyanagar  Gujarat  India for providing the necessary computing facilities 

主　　题：transport properties pseudopotential single-particle dynamics ytterbium 

摘      要：We have studied the structural and atomic transport properties of liquid f-shell Yb in the temperature range 1123 K–1473 K. Pair interactions between atoms are derived using a local pseudopotential. The potential parameters are fitted to the phonon dispersion curve at room temperature. The local pseudopotential used in the present study is computationally more efficient with only three parameters, and it is found to be transferable to the liquid phase without changing the *** the various computed properties agree with reported theoretical and experimental findings, the adopted fitting scheme is justified. As a significant outcome of the study, we find that(i) the melting in Yb is governed by the Lindemann s law,(ii)the mass transport mechanism obeys the Arrhenius law,(iii) the role of the three-particle correlation function in deriving the velocity autocorrelation function is small,(iv) the mean-square atomic displacement is more sensitive to the choice of interaction potential than the other bulk properties, and(v) liquid Yb does not show liquid–liquid phase transition within the studied temperature range. Further, due to the good description of the structural and mass transport properties, we propose that Yb remains divalent at reduced density.