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Materials Science and Engineering

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Doctoral Dissertations

Material science

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Direct Calculation Of Configurational Entropy: Pair Correlation Functions And Disorder, Clifton C. Sluss Aug 2022

Direct Calculation Of Configurational Entropy: Pair Correlation Functions And Disorder, Clifton C. Sluss

Doctoral Dissertations

Techniques such as classical molecular dynamics [MD] simulation provide ready access to the thermodynamic data of model material systems. However, the calculation of the Helmholtz and Gibbs free energies remains a difficult task due to the tedious nature of extracting accurate values of the excess entropy from MD simulation data. Thermodynamic integration, a common technique for the calculation of entropy requires numerous simulations across a range of temperatures. Alternative approaches to the direct calculation of entropy based on functionals of pair correlation functions [PCF] have been developed over the years. This work builds upon the functional approach tradition by extending …


Modeling Deformation Behavior And Strength Characteristics Of Sand-Silt Mixtures: A Micromechanical Approach, Mehrashk Meidani Mar 2018

Modeling Deformation Behavior And Strength Characteristics Of Sand-Silt Mixtures: A Micromechanical Approach, Mehrashk Meidani

Doctoral Dissertations

This dissertation is comprised of six chapters. In the first chapter the motivation of this research, which was modeling the deformation behavior and strength characteristics of soils under internal erosion, is briefly explained. In the second chapter a micromechanis-based stress-strain model developed for prediction of sand-silt mixtures behavior is presented. The components of the micromechanics-based model are described and undrained behavior of six different types of sand-silt mixtures is predicted for several samples with different fines contents. The need for a more comprehensive compression model for sand-silt mixtures is identified at the end of this chapter. This desired compression model …