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Hybrid Bond-Order Potential For Silicon, Suleiman Oloriegbe

All Dissertations

ABSTRACT
A new hybrid bond-order potential for silicon is developed. The functional form of the potential is derived from hybrid of expressions from empirical bond-order formalism and first principles approximations. The total energy is expressed as the sum of attractive, repulsive and promotion energies. By introducing a screening function derived from approximations to first principles expressions, the potential is made long-ranged by allowing covalent interactions beyond the first nearest neighbor shell of atoms in agreement with quantum mechanical descriptions of the bonding in silicon. Environment-dependent promotion energy is introduced that accurately accounts for energetic interactions due to changes in hybridization …

Using Agile Software Development Practices In A Research Oriented Distributed Simulation, Douglas James Mielke

Computational Modeling & Simulation Engineering Theses & Dissertations

Although sometimes controversial, agile methodologies have proven to be a viable choice for some software development projects. Projects suited to agile methodologies are those that involve new technology, have requirements that change rapidly, and are controlled by small, talented teams. Much literature about agile software development leans towards business products and non-government entities. Only a handful of literature resources mention agile software development being used in government contracts and even fewer resources mention research projects. NASA's Airspace and Traffic Operations Simulation (ATOS) is a research oriented simulation that doesn't follow the traditional business project mold. In an effort to gain …

Simulation And Visualization Of Environments With Multidimensional Time, Luther A. Tychonievich

Theses and Dissertations

This work introduces the notion of computational hypertime, or the simulation and visualization of hypothetical environments possessing multidimensional time. An overview of hypertime is provided,including an intuitive visualization paradigm and a discussion of the failure of common simulation techniques when extended to include multidimensional time. A condition for differential equations describing hypertime motion to be amenable to standard time-iterative simulation techniques is provided,but is not satisfied by any known model of physics. An alternate simulation algorithm involving iterative refinement of entire equations of motion is presented,with an example implementation to solve elastic collisions in hypertime. An artificial intelligence algorithm for …

Application Of Computer Simulation Modeling To Evaluate Business Continuity Plans, Jose Francisco Molina Garcia Plaza

CCE Theses and Dissertations

Business continuity plans (BCP) help organizations plan for and withstand the occurrence of unexpected events that interrupt the normal operation of business. Managers typically develop several alternate plans to minimize the business impact of unexpected events. The problem for decision makers is that comparative evaluation of BCP is typically done using subjective judgments.

This research uses a case study approach focusing on a single organization and a single business continuity application to propose the use of computer simulation as a tool for managers to identify and evaluate different BCP prior to committing resources. In the context of an insurance firm, …

Space-Time Multiresolution Approach To Atomistic Visualization, Dipesh Bhattarai

LSU Doctoral Dissertations

Time-varying three-dimensional positional atomistic data are rich in spatial and temporal information. The problem is to understand them. This work offers multiple approaches that enable such understanding. An interactive atomistic visualization system is developed integrating complex analyses with visualization to present the data on space-time multiresolution basis facilitating the information extraction and generate understanding. This work also shows the usefulness of such an integrated approach. The information obtained from the analyses represents the system at multiple length and time scales. Radial distribution function (RDF) provides a complete average spatial map of the distribution of the atoms in the system which …