A UNIVERSAL ANALYTIC POTENTIAL-ENERGY FUNCTION BASED ON A PHASE FACTOR  

作　　者：CFYu KYan DZLiu 

机构地区：[1]Deptartment of Physics,College of Science,Xi’an Polytechnic University,Xi’an 710048,China [2]Xi’an Modern Nonlinear Science Applying Institute,Xi’an 710061,China [3]Section 602,Second Artillery Institute of Engineering,Xi’an 710025,China

出　　处：《Acta Metallurgica Sinica(English Letters)》2006年第6期455-468,共14页金属学报(英文版)

基　　金：This work was supported by the National Natural Science Foundation of China (No. 40274044).

摘　　要：Using a field equation with a phase factor, a universal analytic potential-energy function applied to the interactions between diatoms or molecules is derived, and five kinds of potential curves of common shapes are obtained adjusting the phase factors. The linear thermal expansion coefficients and Young's moduli of eleven kinds of face-centered cubic (fcc) metals - Al, Cu, Ag, etc. are calculated using the potential-energy function; the computational results are quite consistent with experimental values. Moreover, an analytic relation between the linear thermal expansion coefficients and Young's moduli of fcc metals is given using the potential-energy function. Finally, the force constants of fifty-five kinds of diatomic moleculars with low excitation state are computed using this theory, and they are quite consistent with RKR (Rydberg-Klein-Rees) experimental values.Using a field equation with a phase factor, a universal analytic potential-energy function applied to the interactions between diatoms or molecules is derived, and five kinds of potential curves of common shapes are obtained adjusting the phase factors. The linear thermal expansion coefficients and Young's moduli of eleven kinds of face-centered cubic (fcc) metals - Al, Cu, Ag, etc. are calculated using the potential-energy function; the computational results are quite consistent with experimental values. Moreover, an analytic relation between the linear thermal expansion coefficients and Young's moduli of fcc metals is given using the potential-energy function. Finally, the force constants of fifty-five kinds of diatomic moleculars with low excitation state are computed using this theory, and they are quite consistent with RKR (Rydberg-Klein-Rees) experimental values.

关 键 词：universal potential energy function field equation phase factor derivative renormalization linear thermal expansion coefficient Young's modulus force constant 

分 类 号：O175[理学—数学]