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Physical Sciences and Mathematics Commons

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Full-Text Articles in Physical Sciences and Mathematics

High Dimensional Non-Linear Optimization Of Molecular Models, Joseph C. Fogarty Nov 2014

High Dimensional Non-Linear Optimization Of Molecular Models, Joseph C. Fogarty

USF Tampa Graduate Theses and Dissertations

Molecular models allow computer simulations to predict the microscopic properties of macroscopic systems. Molecular modeling can also provide a fully understood test system for the application of theoretical methods. The power of a model lies in the accuracy of the parameter values which govern its mathematical behavior. In this work, a new software, called ParOpt, for general high dimensional non-linear optimization will be presented. The software provides a very general framework for the optimization of a wide variety of parameter sets. The software is especially powerful when applied to the difficult task of molecular model parameter optimization. Three applications of …


Gate Monte Carlo Simulations In A Cloud Computing Environment, Blake Austin Rowedder Aug 2014

Gate Monte Carlo Simulations In A Cloud Computing Environment, Blake Austin Rowedder

UNLV Theses, Dissertations, Professional Papers, and Capstones

The GEANT4-based GATE is a unique and powerful Monte Carlo (MC) platform, which provides a single code library allowing the simulation of specific medical physics applications, e.g. PET, SPECT, CT, radiotherapy, and hadron therapy. However, this rigorous yet flexible platform is used only sparingly in the clinic due to its lengthy calculation time. By accessing the powerful computational resources of a cloud computing environment, GATE's runtime can be significantly reduced to clinically feasible levels without the sizable investment of a local high performance cluster. This study investigated a reliable and efficient execution of GATE MC simulations using a commercial cloud …


Smarticles: A Method For Identifying And Correcting Instability And Error Caused By Explicit Integration Techniques In Physically Based Simulations, Susan Aileen Marano Jun 2014

Smarticles: A Method For Identifying And Correcting Instability And Error Caused By Explicit Integration Techniques In Physically Based Simulations, Susan Aileen Marano

Master's Theses

Using an explicit integration method in physically based animations has many advantages including conceptual and computational simplicity, however, it re- quires small time steps to ensure low numerical instability. Simulations with large numbers of individually interacting components such as cloth, hair, and fluid models, are limited by the sections of particles most susceptible to error. This results in the need for smaller time steps than required for the majority of the system. These sections can be diverse and dynamic, quickly changing in size and location based on forces in the system. Identifying and handling these trou- blesome sections could allow …


Gpu Accelerated Long-Term Simulations Of Beam-Beam Effects In Colliders, B. Terzić, V. Morozov, Y. Roblin, F. Lin, H. Zhang, M. Aturban, D. Ranjan, M. Zubair Jan 2014

Gpu Accelerated Long-Term Simulations Of Beam-Beam Effects In Colliders, B. Terzić, V. Morozov, Y. Roblin, F. Lin, H. Zhang, M. Aturban, D. Ranjan, M. Zubair

Computer Science Faculty Publications

We present an update on the development of the new code for long-term simulation of beam-beam effects in particle colliders. The underlying physical model relies on a matrix-based arbitrary-order particle tracking (including a symplectic option) for beam transport and the generalized Bassetti-Erskine approximation for beam-beam interaction. The computations are accelerated through a parallel implementation on a hybrid GPU/CPU platform. With the new code, previously computationally prohibitive long-term simulations become tractable. The new code will be used to model the proposed Medium-energy Electron-Ion Collider (MEIC) at Jefferson Lab.


Cryogenic Test Of A 750 Mhz Superconducting Rf Dipole Crabbing Cavity, A. Castilla, Hyekyoung Park, J. R. Delayen Jan 2014

Cryogenic Test Of A 750 Mhz Superconducting Rf Dipole Crabbing Cavity, A. Castilla, Hyekyoung Park, J. R. Delayen

Physics Faculty Publications

A superconducting rf dipole cavity has been designed to address the challenges of a high repetition rate (750 MHz), high current for both electron/ion species (0.5/3 A per bunch), and large crossing angle (50 mrad) at the interaction points (IPs) crabbing system for the Medium Energy Electron-Ion Collider (MEIC) proposed by Jefferson Lab. The cavity prototype built at Niowave, Inc. has been tested at the Jefferson Lab facilities. In this work we present a detailed analysis of the prototype cavity performance at 4 K and 2 K, corroborating the absence of hard multipacting barriers that could limit the desired transverse …


Fabrication And Measurements Of 500 Mhz Superconducting Double Spoke Cavity, Hyekyoung Park, C. S. Hopper, J. R. Delayen Jan 2014

Fabrication And Measurements Of 500 Mhz Superconducting Double Spoke Cavity, Hyekyoung Park, C. S. Hopper, J. R. Delayen

Physics Faculty Publications

The 500 MHz double spoke cavity has been designed for a high velocity application such as a compact electron accelerator at Center for Accelerator Science at Old Dominion University and is being built at Jefferson Lab. The geometry specific to the double spoke cavity requires a variety of tooling and fixtures. Also a number of joints are expected to make it difficult to maintain the geometric deviation from the design minimal. This paper will report the fabrication technique, resulting tolerance from the design, and comparison between the measurements and simulations.