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dc.contributor.authorGad El-Rab, Shenoudaen_US
dc.date.accessioned2009-10-02T13:19:44Z
dc.date.available2009-10-02T13:19:44Z
dc.date.issued1973-10-02T13:19:44Z
dc.identifier.urihttp://hdl.handle.net/10464/2738
dc.description.abstractThe anharmonic contributions of order A6 to the Helmholtz free energy for a crystal in which every atom is on a site of inversion symmetry, have been evaluated The cor~esponding diagrams in the various orders of the perturbation theory have been presented The validity of the expressions given is for high temperatures. Numerical calculations for the diagrams which contribute to the free energy have been worked out for a nearest-n~ighbour central-force model of a facecentered cubic lattice in the high-temperature limit and in the leading term and the Ludwig approximations. The accuracy of the Ludwig approximation in evaluating the Brillouin-zone sums has been investigated. Expansion for all diagrams in the high-temperature limit has been carried out The contribution to the specific heat involves a linear as well as cubic term~ We have applied Lennard-Jones, Morse and Exponential 6 types of potentials. A comparison between the contribution to the free energy of order A6 to that of order A4 has been made.en_US
dc.language.isoengen_US
dc.publisherBrock Universityen_US
dc.subjectCrystallography, Mathematical.en_US
dc.titleAn anharmonic contribution to the Helmholtz free energy O(lambda 6)en_US
dc.typeElectronic Thesis or Dissertationen_US
dc.degree.nameM.Sc. Chemistryen_US
dc.degree.levelMastersen_US
dc.contributor.departmentDepartment of Chemistryen_US
dc.degree.disciplineFaculty of Mathematics and Scienceen_US


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