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Skip to Search Results- 1Aguirre Monroy, Angelica M
- 1Alam, Kazi, MM
- 1Ayoub, Ahmed T
- 1Baleja, James D.
- 1Bandarage, Gunadya.
- 1Booker, Brandon K.
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Fall 2011
Molecular dynamics simulations were performed to investigate hydrogen interaction with edge dislocations during deformation in α-Fe. In particular, uniaxial tensile tests at different hydrogen concentration were conducted in a single crystal iron with high density of edge dislocations introduced...
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A Molecular Dynamics Study of the Dissolution of Asphaltene Model Compounds in Supercritical Fluids
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The demand for a new solvent to treat oilsands was behind the purpose of this project; molecular dynamics simulation was used in this study. Supercritical water, supercritical carbon dioxide and other selected organic solvents in their supercritical state were studied. Meso-tetraphenyl porphyrin...
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Fall 2012
A Lennard-Jones gas confined by two parallel solid walls was studied using non-equilibrium Molecular Dynamics, where one-dimensional, steady heat flow was introduced through the gas. Under this condition, the velocity distribution in the direction of heat flow was found to develop skewness and...
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Factors affecting the detectability and eastern distribution of grizzly bears in Alberta, Canada
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Effective and adaptive conservation of a species requires knowledge of trend in abundance and distribution. Monitoring species that are highly mobile, cryptic, and occurring at low densities is especially challenging. This research investigates the local factors affecting the detectability of...
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Fall 2013
Between the world of classical and quantum mechanics there lies a region where both are used to provide an accurate (quantum) but computationally tractable (classical) description of motion: semiclassical mechanics. The heart of semiclassical theory is the use of the classical path (or,...