Numerical Analysis and Scientific Computing Commons^™

A Uniform Database Of Teleseismic Shear-Wave Splitting Measurements For The Western And Central United States: December 2014 Update, Bin B. Yang, Kelly H. Liu, Haider H. Dahm, Stephen S. Gao

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

We present a new version of a shear-wave splitting (SWS) database for the western and central United States (WCUS) using broadband seismic data recorded up to the end of 2014 to update a previous version that used data recorded prior to the end of 2012, when the USArray Transportable Array stations were still recording in the easternmost region of theWCUS. A total of 7452 pairs of additional measurements recorded by 1202 digital broadband seismic stations are obtained, and all the measurements in the previous database are rechecked. The resulting uniform SWS database contains a total of 23,448 pairs of well-defined …

The Mantle Transition Zone Beneath The Afar Depression And Adjacent Regions: Implications For Mantle Plumes And Hydration, Cory A. Reed, Stephen S. Gao, Kelly H. Liu, Y. Yu

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

The Afar Depression and its adjacent areas are underlain by an upper mantle marked by some of the world's largest negative velocity anomalies, which are frequently attributed to the thermal influences of a lower-mantle plume. In spite of numerous studies, however, the existence of a plume beneath the area remains enigmatic, partially due to inadequate quantities of broad-band seismic data and the limited vertical resolution at the mantle transition zone (MTZ) depth of the techniques employed by previous investigations. In this study, we use an unprecedented quantity (over 14 500) of P-to-S receiver functions (RFs) recorded by 139 stations from …

Harmonic Analysis In Integrated Energy System Based On Compressed Sensing, Ting Yang, Haibo Pen, Dan Wang, Zhaoxia Wang

Research Collection School Of Computing and Information Systems

The advent of Integrated Energy Systems enabled various distributed energy to access the system through different power electronic devices. The development of this has made the harmonic environment more complex. It needs low complexity and high precision of harmonic detection and analysis methods to improve power quality. To solve the shortages of large data storage capacities and high complexity of compression in sampling under the Nyquist sampling framework, this research paper presents a harmonic analysis scheme based on compressed sensing theory. The proposed scheme enables the performance of the functions of compressive sampling, signal reconstruction and harmonic detection simultaneously. In …

Feature Knowledge Based Fault Detection Of Induction Motors Through The Analysis Of Stator Current Data, Ting Yang, Haibo Pen, Zhaoxia Wang, Che Sau Chang

Research Collection School Of Computing and Information Systems

The fault detection of electrical or mechanical anomalies in induction motors has been a challenging problem for researchers over decades to ensure the safety and economic operations of industrial processes. To address this issue, this paper studies the stator current data obtained from inverter-fed laboratory induction motors and investigates the unique signatures of the healthy and faulty motors with the aim of developing knowledge based fault detection method for performing online detection of motor fault problems, such as broken-rotor-bar and bearing faults. Stator current data collected from induction motors were analyzed by leveraging fast Fourier transform (FFT), and the FFT …

Random Field Disorder At An Absorbing State Transition In One And Two Dimensions, Hatem Barghathi, Thomas Vojta

Physics Faculty Research & Creative Works

We investigate the behavior of nonequilibrium phase transitions under the influence of disorder that locally breaks the symmetry between two symmetrical macroscopic absorbing states. In equilibrium systems such "random-field" disorder destroys the phase transition in low dimensions by preventing spontaneous symmetry breaking. In contrast, we show here that random-field disorder fails to destroy the nonequilibrium phase transition of the one- and two-dimensional generalized contact process. Instead, it modifies the dynamics in the symmetry-broken phase. Specifically, the dynamics in the one-dimensional case is described by a Sinai walk of the domain walls between two different absorbing states. In the two-dimensional case, …

Calculated Vibrational States Of Ozone Up To Dissociation, Steve Alexandre Ndengué, Richard Dawes, Xiaogang Wang, Tucker Carrington Jr., Zhigang Sun, Hua Guo

Chemistry Faculty Research & Creative Works

A new accurate global potential energy surface for the ground electronic state of ozone [R. Dawes et al., J. Chem. Phys. 139, 201103 (2013)] was published fairly recently. The topography near dissociation differs significantly from previous surfaces, without spurious submerged reefs and corresponding van der Waals wells. This has enabled significantly improved descriptions of scattering processes, capturing the negative temperature dependence and large kinetic isotope effects in exchange reaction rates. The exchange reactivity was found to depend on the character of near-threshold resonances and their overlap with reactant and product wavefunctions, which in turn are sensitive to the potential. Here …

Hpcnmf: A High-Performance Toolbox For Non-Negative Matrix Factorization, Karthik Devarajan, Guoli Wang

COBRA Preprint Series

Non-negative matrix factorization (NMF) is a widely used machine learning algorithm for dimension reduction of large-scale data. It has found successful applications in a variety of fields such as computational biology, neuroscience, natural language processing, information retrieval, image processing and speech recognition. In bioinformatics, for example, it has been used to extract patterns and profiles from genomic and text-mining data as well as in protein sequence and structure analysis. While the scientific performance of NMF is very promising in dealing with high dimensional data sets and complex data structures, its computational cost is high and sometimes could be critical for …

Signal Flow Graph Approach To Efficient Dst I-Iv Algorithms, Sirani M. Perera

Publications

In this paper, fast and efficient discrete sine transformation (DST) algorithms are presented based on the factorization of sparse, scaled orthogonal, rotation, rotation-reflection, and butterfly matrices. These algorithms are completely recursive and solely based on DST I-IV. The presented algorithms have low arithmetic cost compared to the known fast DST algorithms. Furthermore, the language of signal flow graph representation of digital structures is used to describe these efficient and recursive DST algorithms having (n�1) points signal flow graph for DST-I and n points signal flow graphs for DST II-IV.

Retrival Of Atmospheric Aerosol Size Distributions Using Stochastic Particle Swarm Optimization, Benjamin D. Nault-Maurer

All College Thesis Program, 2016-2019

A stochastic particle swarm optimization (SPSO) technique’s robustness is studied in regards to atmospheric aerosol size distribution estimations for a bimodal distribution that focuses on Aitken and accumulation mode aerosols. The SPSO method is used to calculate a set of 11 aerosol optical depth (AOD) values based on a size distribution and match them to an inputted set of AOD values. This method is tested using computer generated AOD values with fixed distribution parameters, generated AOD values with varying distribution parameters, two sets of AOD measurements in clear conditions, and one set of AOD values in hazy conditions. The SPSO …

Factorized Runge-Kutta-Chebyshev Methods, Stephen O'Sullivan

Conference papers

The second-order extended stability Factorized Runge-Kutta-Chebyshev (FRKC2) class of explicit schemes for the integration of large systems of PDEs with diffusive terms is presented. FRKC2 schemes are straightforward to implement through ordered sequences of forward Euler steps with complex stepsizes, and easily parallelised for large scale problems on distributed architectures.

Preserving 7 digits for accuracy at 16 digit precision, the schemes are theoretically capable of maintaining internal stability at acceleration factors in excess of 6000 with respect to standard explicit Runge-Kutta methods. The stability domains have approximately the same extents as those of RKC schemes, and are a third longer …

General Solution Of The Wind Triangle Problem And The Critical Tailwind Angle, Nihad E. Daidzic

Aviation Department Publications

A general analytical solution of the navigational wind-triangle problem and the calculation of the critical tailwind angle are presented in this study among other findings. Any crosswind component will effectively create a headwind component on fixed course tracks. The meaning of a route track is lost with excessive crosswinds representing the bifurcation point between the possible and the impossible navigational solutions. Any wind of constant direction and speed will effectively reduce groundspeed and increase time-of-flight on closed-loop multi-segment flights. Effective wind track component consists, in general, of true and induced components. The average groundspeed of multiple-leg flights is a harmonic …

Image Harvest: An Open-Source Platform For High-Throughput Plant Image Processing And Analysis, Avi C. Knecht, Malachy T. Campbell, Adam Caprez, David R. Swanson, Harkamal Walia

Holland Computing Center: Faculty Publications

High-throughput plant phenotyping is an effective approach to bridge the genotype-to-phenotype gap in crops. Phenomics experiments typically result in large-scale image datasets, which are not amenable for processing on desktop computers, thus creating a bottleneck in the image-analysis pipeline. Here, we present an open-source, flexible image-analysis framework, called Image Harvest (IH), for processing images originating from high-throughput plant phenotyping platforms. Image Harvest is developed to perform parallel processing on computing grids and provides an integrated feature for metadata extraction from large-scale file organization. Moreover, the integration of IH with the Open Science Grid provides academic researchers with the computational resources …

Computational Progress Towards Maximum Distinguishability Of Bell States By Linear Evolution And Local Measurement, Victor Shang

HMC Senior Theses

Many quantum information protocols rely on the ability to distinguish between entangled quantum states known as Bell states. However, theoretical limits exist on the maximal distinguishability of these entangled states using linear evolution and local measurement (LELM) devices. In the case of two particles entangled in multiple qubit variables, the maximum number of distinguishable Bell states is known. However, in the more general case of two particles entangled in multiple qudit variables, only an upper bound is known under additional assumptions. I have written software in Matlab and Mathematica to explore computationally the maximum number of Bell states that can …

Top-K Dominating Queries On Incomplete Data, Xiaoye Miao, Yunjun Gao, Baihua Zheng, Gang Chen, Huiyong Cui

Research Collection School Of Computing and Information Systems

The top-k dominating (TKD) query returns the k objects that dominate the maximum number of objects in a given dataset. It combines the advantages of skyline and top-k queries, and plays an important role in many decision support applications. Incomplete data exists in a wide spectrum of real datasets, due to device failure, privacy preservation, data loss, and so on. In this paper, for the first time, we carry out a systematic study of TKD queries on incomplete data, which involves the data having some missing dimensional value(s). We formalize this problem, and propose a suite of efficient algorithms for …

Ionic And Electronic Conductivities Of Atomic Layer Deposition Thin Film Coated Lithium Ion Battery Cathode Particles, Rajankumar L. Patel, Jonghyun Park, Xinhua Liang

Mechanical and Aerospace Engineering Faculty Research & Creative Works

It is imperative to ascertain the ionic and electronic components of the total conductivity of an electrochemically active material. A blocking technique, called the “Hebb-Wagner method”, is normally used to explain the two components (ionic and electronic) of a mixed conductor, in combination with the complex ac impedance method and dc polarization measurements. CeO₂ atomic layer deposition (ALD)-coated and uncoated, LiMn₂O₄ (LMO) and LiMn_1.5Ni_0.5O₄ (LMNO) powders were pressed into pellets and then painted with silver to act as a blocking electrode. The electronic conductivities were derived from the currents obtained using …

Silicon-Wall Interfacial Free Energy Via Thermodynamics Integration, Wan Shou, Heng Pan

Mechanical and Aerospace Engineering Faculty Research & Creative Works

We compute the interfacial free energy of a silicon system in contact with flat and structured walls by molecular dynamics simulation. The thermodynamics integration method, previously applied to Lennard-Jones potentials [R. Benjamin and J. Horbach, J. Chem. Phys. 137, 044707 (2012)], has been extended and implemented in Tersoff potentials with two-body and three-body interactions taken into consideration. The thermodynamic integration scheme includes two steps. In the first step, the bulk Tersoff system is reversibly transformed to a state where it interacts with a structureless flat wall, and in a second step, the flat structureless wall is reversibly transformed into an …

Calculating Potential Energy Curves With Fixed-Node Diffusion Monte Carlo: Co And N₂, Andrew D. Powell, Richard Dawes

Chemistry Faculty Research & Creative Works

This study reports on the prospect for the routine use of Quantum Monte Carlo (QMC) for the electronic structure problem, applying fixed-node Diffusion Monte Carlo (DMC) to generate highly accurate Born-Oppenheimer potential energy curves (PECs) for small molecular systems. The singlet ground electronic states of CO and N₂ were used as test cases. The PECs obtained by DMC employing multiconfigurational trial wavefunctions were compared with those obtained by conventional high-accuracy electronic structure methods such as multireference configuration interaction and/or the best available empirical spectroscopic curves. The goal was to test whether a straightforward procedure using available QMC codes could …

Role Of Composition And Structure On The Properties Of Metal/Multifunctional Ceramic Interfaces, Fang Yin Lin, Aleksandr V. Chernatynskiy, Juan Claudio Nino, Jacob L. Jones, Richard G. Hennig, Susan Sinnott

Physics Faculty Research & Creative Works

The formation of intermetallic secondary phases, such as Pt₃Pb, has been observed experimentally at PbTiO₃/Pt and Pb(Zr,Ti)O₃/Pt, or PZT/Pt, interfaces. Density functional theory calculations are used here to calculate the work of adhesion of these interfacial systems with and without the secondary intermetallic phase. The charge density maps of the interfaces reveal the electronic interactions at the interface and the impact of the secondary phase. In addition, Bader charge analysis provides a quantitative assessment of electron transfer from the perovskites to the Pt. Analysis of the band diagrams indicates an increase of the potential …

Electron Impact Ionization Dynamics Of Para-Benzoquinone, D. B. Jones, E. Ali, C. G. Ning, J. Colgan, O. Ingólfsson, Don H. Madison, M. J. Brunger

Physics Faculty Research & Creative Works

Triple differential cross sections (TDCSs) for the electron impact ionization of the unresolved combination of the 4 highest occupied molecular orbitals (4b_3g, 5b_2u, 1b_1g, and 2b_3u) of para-benzoquinone are reported. These were obtained in an asymmetric coplanar geometry with the scattered electron being observed at the angles −7.5°, −10.0°, −12.5° and −15.0°. The experimental cross sections are compared to theoretical calculations performed at the molecular 3-body distorted wave level, with a marginal level of agreement between them being found. The character of the ionized orbitals, through calculated momentum profiles, provides some qualitative …

Hydraulic Conductivity As A Proxy For Drainage System Connectivity In A Subglacial Hydrology Model, Jacob Z. Downs

Graduate Student Theses, Dissertations, & Professional Papers

The link between subglacial hydrology and basal sliding has prompted work on basal hydrology models with water pressure and storage as prognostic variables. We find that a commonly used model of distributed drainage through linked cavities underpredicts winter water pressure when compared to borehole observations from Issunguata Sermia in Western Central Greenland. Possible causes for this discrepancy including unrealistic model inputs or unconstrained parameters are investigated through a series of modeling experiments on both synthetic and realistic ice sheet geometries. We find that conductivity acts as a proxy for the connectivity of the linked cavity system and should therefore change …