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A UNIVERSAL ANALYTIC POTENTIAL-ENERGY FUNCTION BASED ON A PHASE FACTOR
  • ISSN号:1006-7191
  • 期刊名称:《金属学报:英文版》
  • 时间:0
  • 分类:TG-55[金属学及工艺]
  • 作者机构:[1]Deptartment of Physics, College of Science, Xi''an Polytechnic University, Xi''an 710048,China Xi''an Modern Nonlinear Science Applying Institute, Xi''an 710061, China Section 602, Second Artillery Institute of Engineering, Xi''an 710025, China
  • 相关基金:This work was supported by the National Natural Science Foundation of China (No. 40274044).
中文摘要:

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 fuce-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.

英文摘要:

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.

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期刊信息
  • 《金属学报:英文版》
  • 中国科技核心期刊
  • 主管单位:中国科协
  • 主办单位:中国金属学会
  • 主编:
  • 地址:沈阳文华路72号
  • 邮编:110016
  • 邮箱:jsxb@imr.ac.cn
  • 电话:024-23971286
  • 国际标准刊号:ISSN:1006-7191
  • 国内统一刊号:ISSN:21-1361/TG
  • 邮发代号:
  • 获奖情况:
  • 国内外数据库收录:
  • 被引量:286