Physical Sciences and Mathematics Commons^™

Evaluation Of Distributed Programming Models And Extensions To Task-Based Runtime Systems, Yu Pei

Doctoral Dissertations

High Performance Computing (HPC) has always been a key foundation for scientific simulation and discovery. And more recently, deep learning models' training have further accelerated the demand of computational power and lower precision arithmetic. In this era following the end of Dennard's Scaling and when Moore's Law seemingly still holds true to a lesser extent, it is not a coincidence that HPC systems are equipped with multi-cores CPUs and a variety of hardware accelerators that are all massively parallel. Coupling this with interconnect networks' speed improvements lagging behind those of computational power increases, the current state of HPC systems is …

Task-Based Runtime Optimizations Towards High Performance Computing Applications, Qinglei Cao

Doctoral Dissertations

The last decades have witnessed a rapid improvement of computational capabilities in high-performance computing (HPC) platforms thanks to hardware technology scaling. HPC architectures benefit from mainstream advances on the hardware with many-core systems, deep hierarchical memory subsystem, non-uniform memory access, and an ever-increasing gap between computational power and memory bandwidth. This has necessitated continuous adaptations across the software stack to maintain high hardware utilization. In this HPC landscape of potentially million-way parallelism, task-based programming models associated with dynamic runtime systems are becoming more popular, which fosters developers’ productivity at extreme scale by abstracting the underlying hardware complexity.

In this context, …

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 …

Tokamak 3d Heat Load Investigations Using An Integrated Simulation Framework, Thomas Looby

Doctoral Dissertations

Reactor class nuclear fusion tokamaks will be inherently complex. Thousands of interconnected systems that span orders of magnitude in physical scale must operate cohesively for the machine to function. Because these reactor class tokamaks are all in an early design stage, it is difficult to quantify exactly how each subsystem will act within the context of the greater systems. Therefore, to predict the engineering parameters necessary to design the machine, simulation frameworks that can model individual systems as well as the interfaced systems are necessary. This dissertation outlines a novel framework developed to couple otherwise disparate computational domains together into …

Meta-Heuristic Optimization Techniques For The Production Of Medical Isotopes Through Special Target Design, Cameron Ian Salyer

Masters Theses

Medical isotopes are used for a variety of different diagnostic and therapeutic purposes Ruth (2008). Due to recent newly discovered applications, their production has become rapidly more scarce than ever before Charlton (2019). Therefore, more efficient and less time consuming methods are of interest for not only the industry’s demand, but for the individuals who require radio-isotope procedures. Currently, the primary source of most medical isotopes used today are provided by reactor and cyclotron irradiation techniques, followed by supplemental radio-chemical separations Ruth (2008). Up until this point, target designs have been optimized by experience, back of the envelope calculations, and …