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A Polarizable Molecular Dynamics Potential For Molten Salt Property Prediction, Jared Thurgood
A Polarizable Molecular Dynamics Potential For Molten Salt Property Prediction, Jared Thurgood
Theses and Dissertations
The present study attempts to find an alternate computational tool to model the complex physical interactions within the molten salt FLiNaK in a way that is both efficient and accurate. Additionally, this study seeks to describe the effects of several different types of impurities on the FLiNaK salt system. This study selects two different polarizable force fields, the AMOEBA polarizable approach and the polarizable ion model, to determine the density and the structure of the impure FLiNaK salt mixtures at typical operating temperatures in molten salt reactors (between 500-900 °C). This study conducts ab initio molecular dynamics (AIMD) simulations and …
Ontology-Based Extraction Of Rdf Data From The World Wide Web, Timothy Adam Chartrand
Ontology-Based Extraction Of Rdf Data From The World Wide Web, Timothy Adam Chartrand
Theses and Dissertations
The simplicity and proliferation of the World Wide Web (WWW) has taken the availability of information to an unprecedented level. The next generation of the Web, the Semantic Web, seeks to make information more usable by machines by introducing a more rigorous structure based on ontologies. One hinderance to the Semantic Web is the lack of existing semantically marked-up data. Until there is a critical mass of Semantic Web data, few people will develop and use Semantic Web applications. This project helps promote the Semantic Web by providing content. We apply existing information-extraction techniques, in particular, the BYU ontologybased data-extraction …