Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 7 of 7 for “"Vibrational Entropy"”.
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Applications of lattice dynamics theory : calculating vibrational entropy in alloys and dielectric losses in ceramics
… of lattice dynamics towards two applications: vibrational entropy in alloys and dielectric absorption in oxides. Vibrational entropies between ordered-L12 and disordered phases in the Au3Cu, Cu3Au, Cu3Pd, Pd3Cu, Cu3Pt, Au3Pd, and Pd3Au systems are calculated. This study was done using …
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Dopant effects on solid-solid transitions in atomic clusters
… states by influencing the potential energy and vibrational entropy of low-lying minima. A two-state approximation is utilised to calculate the solid-solid transition temperatures and is shown to agree with trends in heat capacity features even when only one minimum is used to describe each solid …
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Polycrystalline Grain Boundary Solute Segregation at Finite Sizes and Temperatures
… solute segregation at finite temperatures where vibrational entropy becomes non-negligible. The thesis first demonstrates extractions of triple junction segregation spectra which show characteristics of the defect type vis-à-vis grain boundaries. The developed size-dependent isotherms suggest …
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Computational studies of hydrogen storage materials and the development of related methods
… approximately 200 K and stabilized primarily by vibrational entropy at higher temperatures. A new structure for this low-temperature phase that agrees well with experimental data is proposed. A method to improve the predictive power of cluster expansions through the application of statistical …
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Seebeck coefficient in organic semiconductors
… interpretation of the Seebeck coefficient is the entropy per charge carrier divided by its charge and is hence a direct measurement of the carrier entropy in the solid state. This PhD thesis has three major outcomes. The first major outcome is a demonstration of how the Seebeck coefficient can be …
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Shape and chemically anisotropic colloidal particles: A theoretical study of their structure, phase behavior, and slow dynamics
… to satisfy hard core constraints and maximize vibrational entropy. This results in site length scale ordering in rods, and the sphere length scale ordering in Janus spheres, i.e., crystallization. A change in the Janus balance of both rods and spheres results in quantitative changes in spinodal …
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Nucleation and Growth of Defects in Nitrogen doped Silicon
Ultra high purity silicon is advantageously modified by as low as 5x10¹⁴ cm⁻³ nitrogen. Such a doping level was proved to drastically impact grown-in and process-induced defects, enhances the denuded zone intended for making devices, improves impurity gettering, and increases the gate oxide …