Building Predictive Chemistry Models, 2014 Purdue University
Building Predictive Chemistry Models, Christopher Browne, Nicolas Onofrio, Alejandro Strachan
The Summer Undergraduate Research Fellowship (SURF) Symposium
Density Functional Theory (DFT) simulations allow for sophisticated modeling of chemical interactions, but the extreme computational cost makes it inviable for large scale applications. Molecular dynamics models, specifically ReaxFF, can model much larger simulations with greater speed, but with lesser accuracy. The accuracy of ReaxFF can be improved by comparing predictions of both methods and tuning ReaxFF’s parameters. Molecular capabilities of ReaxFF were gauged by simulating copper complexes in water over a 200 ps range, and comparing energy predictions against ReaxFF. To gauge solid state capabilities, volumetric strain was applied to simulated copper bulk and the strain response functions ...
Simulation Of Bio-Inspired Porous Battery Electrodes, 2014 Purdue University
Simulation Of Bio-Inspired Porous Battery Electrodes, Raju Gupta, R. Edwin Garcia, Rui Tu
The Summer Undergraduate Research Fellowship (SURF) Symposium
Advancement of technology has led to the increase in use of electronic devices. However, longer life of the rechargeable battery used in electronic devices is one of the biggest issue and demand in the world of electronic devices at present. Battery's performance is affected by the orientation, arrangement, shape and size, and porosity of the materials out of which battery electrodes are made. The goal of this project is to develop a set of numerical libraries that allow developing material micro structures that will allow increasing the performance of rechargeable batteries. We focused on the development of an algorithm ...
Using Graph Visualization To Look At The Trajectories Of Events That Lead To Readmission, 2014 Yale University
Using Graph Visualization To Look At The Trajectories Of Events That Lead To Readmission, Abbas Shojaee, Isuru Ranasinghe, Sudhakar Nuti, Shu-Xia Li, Harlan Krumholz
Yale Day of Data
Information on specific sequence of healthcare utilization events in heart failure patients may be useful for identifying distinct subpopulations of patients with HF. Knowledge of patient trajectories may help to improve prediction of future readmission which can be used to tailor management to the individual needs of the patient.
This research introduces a new approach to mining administrative and clinical datasets by incorporating graph networks to identify & visualize the trajectories of sequences of events.
Foss Big Data Storage Solution, 2014 California Polytechnic State University
Foss Big Data Storage Solution, Gary L. Jaffe
STEM Teacher and Researcher (STAR) Program Posters
Utilizing the AERO Institute as an IT test bed or “sandbox”, a small-agile development team will design, build, and test a data management storage system to support post processing of archived and in-flight data collected with the Piccolo flight control system and Compact Fiber Optic Sensing System (C-FOSS). Both systems are integrated on the APV3 aircraft, a small remote-operated vehicle. Due to the amount of data collected from C-FOSS, a system will be designed to sort and organize large data sets. An open-source database will be explored as a viable solution to manage large data loads and provide multi-cluster system ...
Coel: A Web-Based Chemistry Simulation Framework, 2014 Portland State University
Coel: A Web-Based Chemistry Simulation Framework, Peter Banda, Drew Blount, Christof Teuscher
Computer Science Faculty Publications and Presentations
The chemical reaction network (CRN) is a widely used formalism to describe macroscopic behavior of chemical systems. Available tools for CRN modelling and simulation require local access, installation, and often involve local file storage, which is susceptible to loss, lacks searchable structure, and does not support concurrency. Furthermore, simulations are often single-threaded, and user interfaces are non-trivial to use. Therefore there are significant hurdles to conducting efficient and collaborative chemical research. In this paper, we introduce a new enterprise chemistry simulation framework, COEL, which addresses these issues. COEL is the first web-based framework of its kind. A visually pleasing and ...
Thermal Numerical Analysis Of Vertical Heat Extraction Systems In Landfills, 2014 California Polytechnic State University
Thermal Numerical Analysis Of Vertical Heat Extraction Systems In Landfills, Michael Thomas Onnen
Master's Theses and Project Reports
An investigation was conducted to determine the response of landfills to the operation of a vertical ground source heat pump (i.e., heat extraction system, HES). Elevated landfill temperatures, reported various researchers, impact the engineering performance of landfill systems. A numerical model was developed to analyze the influence of vertical HES operation on landfills as a function of climate and operational conditions.
A 1-D model of the vertical profile of a landfill was developed to approximate fluid temperatures in the HES. A 2-D model was then analyzed over a 40 year time period using the approximate fluid temperatures to determine ...
Looped: Ios Application, 2014 California Polytechnic State University
Looped: Ios Application, Barbara Alejandra Wong, Lia Zadoyan
Looped is a crowd-sourced music-making iOS application. It is designed to bring friends together through creating melodies by looping mp3 samples. A user will choose a sound from the Looped sound database, loop that sound however he or she chooses, and then post it to their friends. The next user can then pick another sound, and loop that sound on top of the previously posted loop, creating an overlay of sound samples. The sound database is comprised of mp3’s provided by the creators of Patatap. Patatap is a simple online interface for playing sounds with your computer keyboard.
Autonomous Competitor, 2014 California Polytechnic State University
Autonomous Competitor, Josh B. Porter
A description of a fully autonomous, golf ball rolling, RoboRodentia 2014 competitor made with stepper motors, photodiodes, a servo and an Ardunio Uno.
Surface Reconstruction Using Differential Invariant Signatures, 2014 Macalester College
Surface Reconstruction Using Differential Invariant Signatures, Sophors Khut
Mathematics, Statistics, and Computer Science Honors Projects
This thesis addresses the problem of reassembling a broken surface. Three di- mensional curve matching is used to determine shared edges of broken pieces. In practice, these pieces may have different orientation and position in space, so edges cannot be directly compared. Instead, a differential invariant signature is used to make the comparison. A similarity score between edge signatures determines if two pieces share an edge. The Procrustes algorithm is applied to find the translations and rotations that best fit shared edges. The method is implemented in Matlab, and tested on a broken spherical surface.
Calculation And Experimental Verification Of Longitudinal Spatial Hole Burning In High-Power Semiconductor Lasers, 2014 Rose-Hulman Institute of Technology
Calculation And Experimental Verification Of Longitudinal Spatial Hole Burning In High-Power Semiconductor Lasers, Ting Hao
Graduate Theses - Physics and Optical Engineering
Longitudinal spatial hole burning (LSHB) is believed to be one of the limiting factors in scaling the output power of high-power semiconductor lasers. In this work, a self-consistent simulation of LSHB was performed to investigate the non-uniform longitudinal photon density distribution, carrier density distribution, and gain distribution in a high-power semiconductor laser. The calculation is based on a modification to the semiconductor laser rate equations and solved using a finite difference approach, with Newton’s method employed to numerically solve the differential equations. The impact of LSHB on output power was analyzed with different parameters, including injection current, cavity length ...
Emitter Localization And Compressed Sensing: A Low Cost Design Using Coarse Direction Finding Antennas, 2014 Rose-Hulman Institute of Technology
Emitter Localization And Compressed Sensing: A Low Cost Design Using Coarse Direction Finding Antennas, Andrew Raymond Wagner
Graduate Theses - Engineering Management
Research has been conducted to determine the location of uncooperative radio-frequency (RF) emitters, using low cost sensors employing broadband, low directivity antennas. Comparably lowered accuracy and longer response time may be appropriate trade-offs for size, weight, and power (SWAP). These sensors can then be deployed on numerous testbeds, and algorithms may take advantage of the reconfigurable, distributive network of sensors to precisely determine the location. To conduct this research, a network of three reconfigurable sensors, equipped for emitting and receiving RF signals, was designed based on Universal Software Radio Peripheral (USRP™) technology. This thesis details the experiments conducted and the ...
Graphics Processing Unit Bloom Filters: Classical And Probabilistic, 2014 University of Tennessee, Knoxville
Graphics Processing Unit Bloom Filters: Classical And Probabilistic, Joshua Michael Pyle
Graphics Processing Units (GPUs) have been used to enhance the speed and efficiency of both data structures and algorithms alike. A common data structure used in Computer Science is the Bloom Filter, which is used in many types of applications including databases and security logging. The Bloom Filter is a lossy data structure that uses several hash functions to store keys into a bit array. A novel, new Bloom Filter meant for use in internet traffic detection called the Probabilistic Bloom Filter has recently been developed. In practice, this new Bloom Filter typically makes use of more hash functions than ...
Electromechanical & Navigation Systems For A Lawn Mower (Ariens), 2014 Olin College of Engineering
Electromechanical & Navigation Systems For A Lawn Mower (Ariens), John Arakaki, Asa Eckert-Erdheim, Mark Giolando, Silas Hughes, John Paton, Matt Rush
2014 SCOPE Projects
The Project - Integrate electromechanical and navigation systems into an Ariens lawn mower to create a research and development platform.
What It Does - Given a human defined boundary on flat ground, the mower plans an aesthetic cut path covering the defined region, follows the path, and stays within the boundary.
Cal Poly Library Of Pyroprints: Quality Control Analysis And Web Development, 2014 California Polytechnic State University
Cal Poly Library Of Pyroprints: Quality Control Analysis And Web Development, Chase Ricketts
No abstract provided.
Detection Systems For Airbag Deployment, 2014 Olivet Nazarene University
Detection Systems For Airbag Deployment, Ryan S. Kee
Honors Program Projects
The airbag enablement system in today’s automobiles is not ideal and may allow airbags to deploy when they should not. Weight sensors detect pressure when someone sits in a passenger seat, enabling the airbag to deploy if an accident occurs. This system is flawed. For example, if a heavy box is placed in a passenger seat, the airbag will be unnecessarily enabled. The goal of this research project was to determine if different sensors—not weight sensors or cameras—could be used to identify the occupant of an automobile seat.
Using a microchip programmed in C language, a circuit ...
Is Vehicle Characterization In Accordance With Standard Test Procedures A Necessary Prerequisite For Validating Computer Models Of A Test Vehicle?, 2014 Dublin Institute of Technology
Is Vehicle Characterization In Accordance With Standard Test Procedures A Necessary Prerequisite For Validating Computer Models Of A Test Vehicle?, Michael Hall
Vehicle characterization is the process by which a particular vehicle’s inherent dynamic behavior is classified by measuring its response to certain command inputs under standard test conditions. Such information is required when comparing its performance to that of other vehicles in response to the same test event and it is also used to authenticate computer models of the test vehicle. The aim of this research was to determine whether vehicle characterization is possible using data from non- standard tests and to judge whether such data can also be used for the purpose of validating a computer model of the ...
Numerical Simulation Of Liquid-Solid Circulating Fluidized Beds, 2014 Western University
Numerical Simulation Of Liquid-Solid Circulating Fluidized Beds, Abbas Dadashi
University of Western Ontario - Electronic Thesis and Dissertation Repository
Liquid-solid circulating ﬂuidized bed (LSCFB) reactors are obtaining extensive attraction in the extraction process of functional proteins from industrial broth. A typical LSCFB is comprised of a riser, a downcomer, a liquid-solid separator, a top solids-return pipe and a bottom solids-return pipe. In light of the literature review conducted in this research, a detailed modeling of the protein extraction using an LSCFB ion-exchange system requires a microscopic study including hydrodynamic field, mass transfer and kinetics reactions.
A computational fluid dynamics (CFD) model was developed to simulate the hydrodynamics of the two phase flow in an LSCFB riser. The model is ...
Citations Of Publications, 2014 SelectedWorks
Citations Of Publications, Wojciech M. Budzianowski
No abstract provided.
Tematyka Prac Doktorskich, 2014 SelectedWorks
Tematyka Prac Doktorskich, Wojciech M. Budzianowski
No abstract provided.
Tematyka Prac Dyplomowych Dla Studentów Wydziału Mechaniczno-Energetycznego Pwr., 2014 SelectedWorks
Tematyka Prac Dyplomowych Dla Studentów Wydziału Mechaniczno-Energetycznego Pwr., Wojciech M. Budzianowski
No abstract provided.