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Advancing Molecular Simulations Of Crystal Nucleation: Applications To Clathrate Hydrates, Ryan Scott Defever
Advancing Molecular Simulations Of Crystal Nucleation: Applications To Clathrate Hydrates, Ryan Scott Defever
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Crystallization is a fundamental physical phenomenon with broad impacts in science and engineering. Nonetheless, mechanisms of crystallization in many systems remain incompletely understood. Molecular dynamics (MD) simulations are a powerful computational technique that, in principle, are well-suited to offer insights into the mechanisms of crystallization. Unfortunately, the waiting time required to observe crystal nucleation in simulated systems often falls far beyond the limits of modern MD simulations. This rare-event problem is the primary barrier to simulation studies of crystallization in complex systems. This dissertation takes a combined approach to advance simulation studies of nucleation in complex systems. First, we apply …
Essays In Economic Growth And International Trade, Narendra Raj Regmi
Essays In Economic Growth And International Trade, Narendra Raj Regmi
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The first chapter of this dissertation identifies the decline in mortality risk as an important trigger of demographic transition. To that end, we solve a precautionary demand for fertility model to fit the time series of total fertility rate and average years of schooling in the labor force for the 16 rich countries. Overall, the time series of fertility and average years of schooling for individuals in the labor force generated by our model closely match the actual observations. Furthermore, the out-of-sample prediction of output per worker are also highly correlated with the data. Using the model, we also identify …