This paper gives a mathematical approach to calculate the fractionation factor of isotopes in a general cluster (also known as?super-molecule), which composes of necessary chemical effect within three bonds outside th...This paper gives a mathematical approach to calculate the fractionation factor of isotopes in a general cluster (also known as?super-molecule), which composes of necessary chemical effect within three bonds outside the interested atom(s). The cluster might have imaginary frequencies after being optimized in quantum softwares. The approach includes the contribution of the difference, which is resulted from the substitution of heavy and light isotopes in the cluster, of vibrations of imaginary frequencies to give precise prediction of isotope fractionation factor. We call the new mathematical approximation “reduced partition function ratio in the frequency complex plane (RPFRC)”. If there is no imaginary frequency for a cluster, RPFRC?is simplified to be Urey (1947) or Bigeleisen and Mayer (1947) formula. Final results of this new algorithm are in good agreement with those in earlier studies.展开更多
In this paper problems of collinear cracks between bonded dissimilar materials under antiplane concentrated forces are dealt with. General solutions of the problems are formulated by applying extended Schwarz principl...In this paper problems of collinear cracks between bonded dissimilar materials under antiplane concentrated forces are dealt with. General solutions of the problems are formulated by applying extended Schwarz principle integrated with the analysis of the singularity of complex stress functions. Closed-form solutions of several typical problems are obtained and the stress intensity factors are given. These solutions include a series of original results and some results of previous researches. It is found that under symmetrical loads the solutions for the dissimilar materials are the same as those for the homogeneous materia[7]展开更多
A fundamental solution was obtained for an infinite plane bonded by two dissimilar isotropic semi-planes by employing plane elastic complex variable method and theory of boundary value problems for analytic functions....A fundamental solution was obtained for an infinite plane bonded by two dissimilar isotropic semi-planes by employing plane elastic complex variable method and theory of boundary value problems for analytic functions.Fundamental solution was prepared for solving these types of problems with boundary element method.展开更多
文摘This paper gives a mathematical approach to calculate the fractionation factor of isotopes in a general cluster (also known as?super-molecule), which composes of necessary chemical effect within three bonds outside the interested atom(s). The cluster might have imaginary frequencies after being optimized in quantum softwares. The approach includes the contribution of the difference, which is resulted from the substitution of heavy and light isotopes in the cluster, of vibrations of imaginary frequencies to give precise prediction of isotope fractionation factor. We call the new mathematical approximation “reduced partition function ratio in the frequency complex plane (RPFRC)”. If there is no imaginary frequency for a cluster, RPFRC?is simplified to be Urey (1947) or Bigeleisen and Mayer (1947) formula. Final results of this new algorithm are in good agreement with those in earlier studies.
文摘In this paper problems of collinear cracks between bonded dissimilar materials under antiplane concentrated forces are dealt with. General solutions of the problems are formulated by applying extended Schwarz principle integrated with the analysis of the singularity of complex stress functions. Closed-form solutions of several typical problems are obtained and the stress intensity factors are given. These solutions include a series of original results and some results of previous researches. It is found that under symmetrical loads the solutions for the dissimilar materials are the same as those for the homogeneous materia[7]
文摘A fundamental solution was obtained for an infinite plane bonded by two dissimilar isotropic semi-planes by employing plane elastic complex variable method and theory of boundary value problems for analytic functions.Fundamental solution was prepared for solving these types of problems with boundary element method.
