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Missouri University of Science and Technology

2015

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Articles 1 - 30 of 68

Full-Text Articles in Computer Sciences

Evaluating Different Distributed-Cyber-Infrastructure For Data And Compute Intensive Scientific Application, Arghya Kusum Das, Seung Jong Park, Jaeki Hong, Wooseok Chang Dec 2015

Evaluating Different Distributed-Cyber-Infrastructure For Data And Compute Intensive Scientific Application, Arghya Kusum Das, Seung Jong Park, Jaeki Hong, Wooseok Chang

Computer Science Faculty Research & Creative Works

Scientists are increasingly using the current state of the art big data analytic software (e.g., Hadoop, Giraph, etc.) for their data-intensive applications over HPC environment. However, understanding and designing the hardware environment that these data- and compute-intensive applications require for good performance is challenging. With this motivation, we evaluated the performance of big data software over three different distributed-cyber-infrastructures, including a traditional HPC-cluster called SuperMikeII, a regular datacenter called SwatIII, and a novel MicroBrick-based hyperscale system called CeresII, using our own benchmark Parallel Genome Assembler (PGA). PGA is developed atop Hadoop and Giraph and serves as a good real-world example …


Mixed-Criticality Job Models: A Comparison, Sanjoy K. Baruah, Zhishan Guo Dec 2015

Mixed-Criticality Job Models: A Comparison, Sanjoy K. Baruah, Zhishan Guo

Computer Science Faculty Research & Creative Works

The Vestal model in widely used in the real-time scheduling community for representing mixed-criticality real-time workloads. This model requires that multiple WCET estimates -- one for each criticality level in a system -- be obtained for each task. Burns suggests that being required to obtain too many WCET estimates may place an undue burden on system developers, and proposes a simplification to the Vestal model that makes do with just two WCET estimates per task. Burns makes a convincing case in favor of adopting this simplified model; here, we report on our attempts at comparing the two models -- Vestal’s …


Functionalized Nanodiamond Reinforced Biopolymers, Gongyao Zhou, Peter I. Lelkes, Yury Gogotsi, Vadym Mochalin Nov 2015

Functionalized Nanodiamond Reinforced Biopolymers, Gongyao Zhou, Peter I. Lelkes, Yury Gogotsi, Vadym Mochalin

Chemistry Faculty Research & Creative Works

The present invention includes a composition for implantation in a patient, comprising surface-functionalized nanodiamonds and at least one biodegradable biocompatible polymer. The present invention also includes a surgical fixation device for use in a patient.


Systems And Methods For Emergency Situation Communications, Sriram Chellappan, Srinivas Thandu, Patrick Sullivan, Levi Malott Nov 2015

Systems And Methods For Emergency Situation Communications, Sriram Chellappan, Srinivas Thandu, Patrick Sullivan, Levi Malott

Computer Science Faculty Research & Creative Works

A system for enabling communications during an emergency situation is described. A system may be configured to generate graphical user interfaces including a map displaying a location and a status of the one or more users located at the scene of an emergency situation. The graphical user interfaces may be displayed on a user's portable computing device. The graphical user interfaces may be displayed at a computing device located at a dispatcher site.


Efficient Aerial Data Collection With Uav In Large-Scale Wireless Sensor Networks, Chengliang Wang, Fei Ma, Junhui Yan, Debraj De, Sajal K. Das Nov 2015

Efficient Aerial Data Collection With Uav In Large-Scale Wireless Sensor Networks, Chengliang Wang, Fei Ma, Junhui Yan, Debraj De, Sajal K. Das

Computer Science Faculty Research & Creative Works

Data collection from deployed sensor networks can be with static sink, ground-based mobile sink, or Unmanned Aerial Vehicle (UAV) based mobile aerial data collector. Considering the large-scale sensor networks and peculiarity of the deployed environments, aerial data collection based on controllable UAV has more advantages. In this paper, we have designed a basic framework for aerial data collection, which includes the following five components: deployment of networks, nodes positioning, anchor points searching, fast path planning for UAV, and data collection from network. We have identified the key challenges in each of them and have proposed efficient solutions. This includes proposal …


Infinite-Noise Criticality: Nonequilibrium Phase Transitions In Fluctuating Environments, Thomas Vojta, José A. Hoyos Nov 2015

Infinite-Noise Criticality: Nonequilibrium Phase Transitions In Fluctuating Environments, Thomas Vojta, José A. Hoyos

Physics Faculty Research & Creative Works

We study the effects of time-varying environmental noise on nonequilibrium phase transitions in spreading and growth processes. Using the examples of the logistic evolution equation as well as the contact process, we show that such temporal disorder gives rise to a distinct type of critical points at which the effective noise amplitude diverges on long time scales. This leads to enormous density fluctuations characterized by an infinitely broad probability distribution at criticality. We develop a real-time renormalization-group theory that provides a general framework for the effects of temporal disorder on nonequilibrium processes. We also discuss how general this exotic critical …


A Joint Receiver Function And Gravity Study Of Crustal Structure Beneath The Incipient Okavango Rift, Botswana, Youqiang Yu, Kelly H. Liu, Cory A. Reed, Moikwathai Moidaki, Kevin Mickus, Estella A. Atekwana, Stephen S. Gao Oct 2015

A Joint Receiver Function And Gravity Study Of Crustal Structure Beneath The Incipient Okavango Rift, Botswana, Youqiang Yu, Kelly H. Liu, Cory A. Reed, Moikwathai Moidaki, Kevin Mickus, Estella A. Atekwana, Stephen S. Gao

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Rifting incorporates the fundamental processes concerning the breakup of continental lithosphere and plays a significant role in the formation and evolution of sedimentary basins. In order to decipher the characteristics of rifting at its earliest stage, we conduct the first teleseismic crustal study of one of the world's youngest continental rifts, the Okavango Rift Zone (ORZ), where the magma has not yet breached the surface. Results from receiver function stacking and gravity modeling indicate that the crust/mantle boundary beneath the ORZ is uplifted by 4-5 km, and the initiation of the ORZ is closely related to lithospheric stretching. Possible decompression …


Comparison Of Experimental And Theoretical Electron-Impact-Ionization Triple-Differential Cross Sections For Ethane, Esam Ali, Kate Nixon, Andrw Murray, Chuangang Ning, James Colgan, Don H. Madison Oct 2015

Comparison Of Experimental And Theoretical Electron-Impact-Ionization Triple-Differential Cross Sections For Ethane, Esam Ali, Kate Nixon, Andrw Murray, Chuangang Ning, James Colgan, Don H. Madison

Physics Faculty Research & Creative Works

We have recently examined electron-impact ionization of molecules that have one large atom at the center, surrounded by H nuclei (H2O, NH3, CH4). All of these molecules have ten electrons; however, they vary in their molecular symmetry. We found that the triple-differential cross sections (TDCSs) for the highest occupied molecular orbitals (HOMOs) were similar, as was the character of the HOMO orbitals which had a p-type "peanut" shape. In this work, we examine ethane (C2H6) which is a molecule that has two large atoms surrounded by H nuclei, so that …


Clustering Data Of Mixed Categorical And Numerical Type With Unsupervised Feature Learning, Dao Lam, Mingzhen Wei, Donald C. Wunsch Sep 2015

Clustering Data Of Mixed Categorical And Numerical Type With Unsupervised Feature Learning, Dao Lam, Mingzhen Wei, Donald C. Wunsch

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Mixed-type categorical and numerical data are a challenge in many applications. This general area of mixed-type data is among the frontier areas, where computational intelligence approaches are often brittle compared with the capabilities of living creatures. In this paper, unsupervised feature learning (UFL) is applied to the mixed-type data to achieve a sparse representation, which makes it easier for clustering algorithms to separate the data. Unlike other UFL methods that work with homogeneous data, such as image and video data, the presented UFL works with the mixed-type data using fuzzy adaptive resonance theory (ART). UFL with fuzzy ART (UFLA) obtains …


Evidence For Unnatural-Parity Contributions To Electron-Impact Ionization Of Laser-Aligned Atoms, G. S. J. Armstrong, J. Colgan, M. S. Pindzola, S. Amami, Don H. Madison, J. Pursehouse, K. L. Nixon, A. J. Murray Sep 2015

Evidence For Unnatural-Parity Contributions To Electron-Impact Ionization Of Laser-Aligned Atoms, G. S. J. Armstrong, J. Colgan, M. S. Pindzola, S. Amami, Don H. Madison, J. Pursehouse, K. L. Nixon, A. J. Murray

Physics Faculty Research & Creative Works

Recent measurements have examined the electron-impact ionization of excited-state laser-aligned Mg atoms. In this work we show that the ionization cross section arising from the geometry where the aligned atom is perpendicular to the scattering plane directly probes the unnatural parity contributions to the ionization amplitude. The contributions from natural parity partial waves cancel exactly in this geometry. Our calculations resolve the discrepancy between the nonzero measured cross sections in this plane and the zero cross section predicted by distorted-wave approaches. We demonstrate that this is a general feature of ionization from p-state targets by additional studies of ionization from …


Vibrational Energy Levels Of The Simplest Criegee Intermediate (Ch₂Oo) From Full-Dimensional Lanczos, Mctdh, And Multimode Calculations, Hua-Gen Yu, Steve Alexandre Ndengué, Jun Li, Richard Dawes, Hua Guo Aug 2015

Vibrational Energy Levels Of The Simplest Criegee Intermediate (Ch₂Oo) From Full-Dimensional Lanczos, Mctdh, And Multimode Calculations, Hua-Gen Yu, Steve Alexandre Ndengué, Jun Li, Richard Dawes, Hua Guo

Chemistry Faculty Research & Creative Works

Accurate vibrational energy levels of the simplest Criegee intermediate (CH2OO) were determined on a recently developed ab initio based nine-dimensional potential energy surface using three quantum mechanical methods. the first is the iterative Lanczos method using a conventional basis expansion with an exact Hamiltonian. the second and more efficient method is the multi-configurational time-dependent Hartree (MCTDH) method in which the potential energy surface is refit to conform to the sums-of-products requirement of MCTDH. Finally, the energy levels were computed with a vibrational self-consistent field/virtual configuration interaction method in MULTIMODE. the low-lying levels obtained from the three methods are …


System And Process For Upgrading Hydrocarbons, Dennis N. Bingham, Kerry M. Klingler, Joseph D. Smith, Terry D. Turner, Bruce M. Wilding Aug 2015

System And Process For Upgrading Hydrocarbons, Dennis N. Bingham, Kerry M. Klingler, Joseph D. Smith, Terry D. Turner, Bruce M. Wilding

Chemical and Biochemical Engineering Faculty Research & Creative Works

In one embodiment, a system for upgrading a hydrocarbon material may include a black wax upgrade subsystem and a molten salt gasification (MSG) subsystem. The black wax upgrade subsystem and the MSG subsystem may be located within a common pressure boundary, such as within a pressure vessel. Gaseous materials produced by the MSG subsystem may be used in the process carried out within the black wax upgrade subsystem. For example, hydrogen may pass through a gaseous transfer interface to interact with black wax feed material to hydrogenate such material during a cracking process. In one embodiment, the gaseous transfer interface …


Anharmonic Properties In Mg₂X (X= C, Si, Ge, Sn, Pb) From First-Principles Calculations, Aleksandr V. Chernatynskiy, Simon R. Phillpot Aug 2015

Anharmonic Properties In Mg₂X (X= C, Si, Ge, Sn, Pb) From First-Principles Calculations, Aleksandr V. Chernatynskiy, Simon R. Phillpot

Physics Faculty Research & Creative Works

Thermal conductivity reduction is one of the potential routes to improve the performance of thermoelectric materials. However, detailed understanding of the thermal transport of many promising materials is still missing. In this paper, we employ electronic-structure calculations at the level of density functional theory to elucidate thermal transport properties of the Mg2X (X=C, Si, Ge, Sn, and Pb) family of compounds, which includes Mg2Si, a material already identified as a potential thermoelectric. All these materials crystallize into the same antifluorite structure. Systematic trends in the anharmonic properties of these materials are presented and examined. Our calculations …


No Thermal Anomalies In The Mantle Transition Zone Beneath An Incipient Continental Rift: Evidence From The First Receiver Function Study Across The Okavango Rift Zone, Botswana, Youqiang Yu, Kelly H. Liu, M. Moidaki, Cory A. Reed, Stephen S. Gao Jul 2015

No Thermal Anomalies In The Mantle Transition Zone Beneath An Incipient Continental Rift: Evidence From The First Receiver Function Study Across The Okavango Rift Zone, Botswana, Youqiang Yu, Kelly H. Liu, M. Moidaki, Cory A. Reed, Stephen S. Gao

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Mechanisms leading to the initiation and early-stage development of continental rifts remain enigmatic, in spite of numerous studies. Among the various rifting models, which were developed mostly based on studies of mature rifts, far-field stresses originating from plate interactions (passive rifting) and nearby active mantle upwelling (active rifting) are commonly used to explain rift dynamics. Situated atop of the hypothesized African Superplume, the incipient Okavango Rift Zone (ORZ) of northern Botswana is ideal to investigate the role of mantle plumes in rift initiation and development, as well as the interaction between the upper and lower mantle. The ORZ developed within …


Interference Effects For Intermediate Energy Electron-Impact Ionization Of H₂ And N₂ Molecules, Zehra Nur Ozer, Hari Chaluvadi, Don H. Madison, Mevlut Dogan Jul 2015

Interference Effects For Intermediate Energy Electron-Impact Ionization Of H₂ And N₂ Molecules, Zehra Nur Ozer, Hari Chaluvadi, Don H. Madison, Mevlut Dogan

Physics Faculty Research & Creative Works

We have studied electron impact ionization of H2 and N2 molecules at intermediate energies to look for possible two center interference effects experimentally and theoretically. Here we report a study of the interference factor I for 250 eV electron-impact ionization. The experimental measurements are performed using a crossed-beam-type electron-electron coincidence spectrometer and theoretical calculations are obtained using the Molecular Three Body Distorted Wave Approximation (M3DW). We found that the I-factor demonstrated strong evidence for two-center interference effects for both H2 and N2. We also found that the I-factor is more sensitive to projectile angular scans …


Real Time Mission Planning, Emad William Saad, Stefan Richard Bieniawski, Paul Edward Riley Pigg, John Lyle Vian, Paul Michael Robinette, Donald C. Wunsch Jun 2015

Real Time Mission Planning, Emad William Saad, Stefan Richard Bieniawski, Paul Edward Riley Pigg, John Lyle Vian, Paul Michael Robinette, Donald C. Wunsch

Electrical and Computer Engineering Faculty Research & Creative Works

The different advantageous embodiments provide a system comprising a number of computers, a graphical user interface, first program code stored on the computer, and second program code stored on the computer. The graphical user interface is executed by a computer in the number of computers. The computer is configured to run the first program code to define a mission using a number of mission elements. The computer is configured to run the second program code to generate instructions for a number of assets to execute the mission and monitor the number of assets during execution of the mission.


Preface, Gennady Fridman, Jeremy Levesley, Ivan Tyukin, Donald C. Wunsch Jun 2015

Preface, Gennady Fridman, Jeremy Levesley, Ivan Tyukin, Donald C. Wunsch

Electrical and Computer Engineering Faculty Research & Creative Works

In August 2014 a conference on “Model reduction across disciplines” was held in Leicester, UK. As a scientific field, model reduction is an important part of mathematical modelling and data analysis with very wide areas of applications. The main scientific goal of the conference was to facilitate interdisciplinary discussion of model reduction and coarse-graining methodologies in order to reveal their general mathematical nature. This time, however, the conference had an additional personal and more profound mission – it was dedicated to the 60th birthday of Professor Alexander Gorban (albeit with some delay) whose fantastic achievements in applying model reduction techniques …


Erratum: Theoretical And Experimental (E,2e) Study Of Electron-Impact Ionization Of Laser-Aligned Mg Atoms [Physical Review A 90, 062707 (2014)], Sadek Amami, Andrew J. Murray, Al Stauffer, Kate Nixon, Gregory Armstrong, James Colgan, Don H. Madison Jun 2015

Erratum: Theoretical And Experimental (E,2e) Study Of Electron-Impact Ionization Of Laser-Aligned Mg Atoms [Physical Review A 90, 062707 (2014)], Sadek Amami, Andrew J. Murray, Al Stauffer, Kate Nixon, Gregory Armstrong, James Colgan, Don H. Madison

Physics Faculty Research & Creative Works

We have recently reported a theoretical and experimental study of electron-impact ionization of laser-aligned magnesium. Results were presented for both ionization of the ground state, as well as for laser-aligned atoms in the 3p state. For ionization from the 3p state, theoretical results were presented using the distorted wave Born (DWBA) and three-body distorted wave (3DW) approximations. Unfortunately, after publication we learned that the theoretical results were incorrect due to one of the arrays in the computer code dimensioned too small. The figures affected by this error are Figs. 3–5 in the original paper. The present Figs. 3–5 …


Entropy-Based Privacy Against Profiling Of User Mobility, Alicia Rodriguez-Carrion, David Rebollo-Monedero, Jordi Forne, Celeste Campo, Carlos Garcia-Rubio, Javier Parra-Arnau, Sajal K. Das Jun 2015

Entropy-Based Privacy Against Profiling Of User Mobility, Alicia Rodriguez-Carrion, David Rebollo-Monedero, Jordi Forne, Celeste Campo, Carlos Garcia-Rubio, Javier Parra-Arnau, Sajal K. Das

Computer Science Faculty Research & Creative Works

Location-based services (LBSs) flood mobile phones nowadays, but their use poses an evident privacy risk. The locations accompanying the LBS queries can be exploited by the LBS provider to build the user profile of visited locations, which might disclose sensitive data, such as work or home locations. The classic concept of entropy is widely used to evaluate privacy in these scenarios, where the information is represented as a sequence of independent samples of categorized data. However, since the LBS queries might be sent very frequently, location profiles can be improved by adding temporal dependencies, thus becoming mobility profiles, where location …


Towards A Global Model Of Spin-Orbit Coupling In The Halocarbenes, Silver Nyambo, Cyrus Karshenas, Scott A. Reid, Phalgun Lolur, Richard Dawes Jun 2015

Towards A Global Model Of Spin-Orbit Coupling In The Halocarbenes, Silver Nyambo, Cyrus Karshenas, Scott A. Reid, Phalgun Lolur, Richard Dawes

Chemistry Faculty Research & Creative Works

We report a global analysis of spin-orbit coupling in the mono-halocarbenes, CH(D)X, where X = Cl, Br, and I. These are model systems for examining carbene singlet-triplet energy gaps and spin-orbit coupling. Over the past decade, rich data sets collected using single vibronic level emission spectroscopy and stimulated emission pumping spectroscopy have yielded much information on the ground vibrational level structure and clearly demonstrated the presence of perturbations involving the low-lying triplet state. To model these interactions globally, we compare two approaches. First, we employ a diabatic treatment of the spin-orbit coupling, where the coupling matrix elements are written in …


Emerging Criticality In The Disordered Three-Color Ashkin-Teller Model, Qiong Zhu, Xin Wan, Rajesh Narayanan, José A. Hoyos, Thomas Vojta Jun 2015

Emerging Criticality In The Disordered Three-Color Ashkin-Teller Model, Qiong Zhu, Xin Wan, Rajesh Narayanan, José A. Hoyos, Thomas Vojta

Physics Faculty Research & Creative Works

We study the effects of quenched disorder on the first-order phase transition in the two-dimensional three-color Ashkin-Teller model by means of large-scale Monte Carlo simulations. We demonstrate that the first-order phase transition is rounded by the disorder and turns into a continuous one. Using a careful finite-size-scaling analysis, we provide strong evidence for the emerging critical behavior of the disordered Ashkin-Teller model to be in the clean two-dimensional Ising universality class, accompanied by universal logarithmic corrections. This agrees with perturbative renormalization-group predictions by Cardy. As a byproduct, we also provide support for the strong-universality scenario for the critical behavior of …


Methods And Systems For Biclustering Algorithm, Donald C. Wunsch, Rui Xu, Sejun Kim May 2015

Methods And Systems For Biclustering Algorithm, Donald C. Wunsch, Rui Xu, Sejun Kim

Electrical and Computer Engineering Faculty Research & Creative Works

Methods and systems for improved unsupervised learning are described. The unsupervised learning can consist of biclustering a data set, e.g., by biclustering subsets of the entire data set. In an example, the biclustering does not include feeding know and proven results into the biclustering methodology or system. A hierarchical approach can be used that feeds proven clusters back into the biclustering methodology or system as the input. Data that does not cluster may be discarded. Thus, a very large unknown data set can be acted on to learn about the data. The system is also amenable to parallelization.


Pore Pressure Evolution And Fluid Flow During Visco-Elastic Single-Layer Buckle Folding, Andreas Eckert, X. Liu, P. Connolly May 2015

Pore Pressure Evolution And Fluid Flow During Visco-Elastic Single-Layer Buckle Folding, Andreas Eckert, X. Liu, P. Connolly

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Pore pressure and fluid flow during the deformational history of geologic structures are directly influenced by tectonic deformation events. In this contribution, 2D plane strain finite element analysis is used to study the influence of different permeability distributions on the pore pressure field and associated flow regimes during the evolution of visco-elastic single-layer buckle folds. The buckling-induced fluid flow regimes indicate that flow directions and, to a lesser degree, their magnitudes vary significantly throughout the deformation and as a function of the stratigraphic permeability distribution. The modelling results suggest that the volumetric strain and the permeability distribution significantly affect the …


Kinetic Isotope Effect Of The ¹⁶O+³⁶O₂ And ¹⁸O+³²O₂ Isotope Exchange Reactions: Dominant Role Of Reactive Resonances Revealed By An Accurate Time-Dependent Quantum Wavepacket Study, Zhigang Sun, Dequan Yu, Wenbo Xie, Jiayi Hou, Richard Dawes, Hua Guo May 2015

Kinetic Isotope Effect Of The ¹⁶O+³⁶O₂ And ¹⁸O+³²O₂ Isotope Exchange Reactions: Dominant Role Of Reactive Resonances Revealed By An Accurate Time-Dependent Quantum Wavepacket Study, Zhigang Sun, Dequan Yu, Wenbo Xie, Jiayi Hou, Richard Dawes, Hua Guo

Chemistry Faculty Research & Creative Works

The O + O2 isotope exchange reactions play an important role in determining the oxygen isotopic composition of a number of trace gases in the atmosphere, and their temperature dependence and kinetic isotope effects (KIEs) provide important constraints on our understanding of the origin and mechanism of these and other unusual oxygen KIEs important in the atmosphere. This work reports a quantum dynamics study of the title reactions on the newly constructed Dawes-Lolur-Li-Jiang-Guo (DLLJG) potential energy surface (PES). The thermal reaction rate coefficients of both the 18O + 32O2 and 16O + 36O2 reactions obtained using the …


Determining Crustal Structure Beneath Seismic Stations Overlying A Low-Velocity Sedimentary Layer Using Receiver Functions, Youqiang Yu, Jianguo Song, Kelly H. Liu, Stephen S. Gao May 2015

Determining Crustal Structure Beneath Seismic Stations Overlying A Low-Velocity Sedimentary Layer Using Receiver Functions, Youqiang Yu, Jianguo Song, Kelly H. Liu, Stephen S. Gao

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

The receiver function (RF) technique has been widely applied to investigate crustal and mantle layered structures using P-to-S converted (Ps) phases from velocity discontinuities. However, the presence of low-velocity (relative to that of the bedrock) sediments can give rise to strong reverberations in the resulting RFs, frequently masking the Ps phases from crustal and mantle boundaries. Such reverberations are caused by P-to-S conversions and their multiples associated with the strong impedance contrast across the bottom of the low-velocity sedimentary layer. Here we propose and test an approach to effectively remove the near-surface reverberations and decipher the Ps phases associated with …


Enabling Large-Scale Biomolecular Conformation Search With Replica Exchange Statistical Temperature Molecular Dynamics (Restmd) Over Hpc And Cloud Computing Resources, Nayong Kim, Richard Platania, Wei Huang, Chris Knight, Tom Keyes, Seung Jong Park, Joohyun Kim Apr 2015

Enabling Large-Scale Biomolecular Conformation Search With Replica Exchange Statistical Temperature Molecular Dynamics (Restmd) Over Hpc And Cloud Computing Resources, Nayong Kim, Richard Platania, Wei Huang, Chris Knight, Tom Keyes, Seung Jong Park, Joohyun Kim

Computer Science Faculty Research & Creative Works

We present the latest development and experimental simulation studies of Statistical Temperature Molecular Dynamics (STMD) and its parallel tempering version, Replica Exchange Statistical Temperature Molecular Dynamics (RESTMD). Our main contributions are i) introduction of newly implemented STMD in LAMMPS, ii) use of large scale distributed cyber infrastructure including Amazon EC2 and the nationwide distributed computing infrastructure GENI, in addition to High-performance Computing (HPC) cluster systems, and iii) benchmark and simulation results highlighting advantages and potentials of STMD and RESTMD for challenging large-scale bio molecular conformational search. In this work, we attempt to provide convincing evidence that RESTMD, combining two advanced …


Azimuthal Anisotropy Beneath North Central Africa From Shear Wave Splitting Analyses, Awad A. Lemnifi, Kelly H. Liu, Stephen S. Gao, Cory A. Reed, Ahmed A. Elsheikh, Youqiang Yu, Abdala A. Elmelade Apr 2015

Azimuthal Anisotropy Beneath North Central Africa From Shear Wave Splitting Analyses, Awad A. Lemnifi, Kelly H. Liu, Stephen S. Gao, Cory A. Reed, Ahmed A. Elsheikh, Youqiang Yu, Abdala A. Elmelade

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

This study represents the first multistation investigation of azimuthal anisotropy beneath the interior of north central Africa, including Libya and adjacent regions, using shear wave splitting (SWS) analysis. Data used in the study include recently available broadband seismic data obtained from 15 stations managed by the Libyan Center for Remote Sensing and Space Science, and those from five other stations at which data are publicly accessible. A total of 583 pairs of high-quality SWS measurements utilizing the PKS, SKKS, and SKS phases demonstrate primarily N-S fast orientations with an average splitting delay time of approximately 1.2 s. An absence of …


Classical Description Of H(1s) And H* (N=2) For Cross-Section Calculations Relevant To Charge-Exchange Diagnostics, N. D. Cariatore, Sebastian Otranto, Ronald E. Olson Apr 2015

Classical Description Of H(1s) And H* (N=2) For Cross-Section Calculations Relevant To Charge-Exchange Diagnostics, N. D. Cariatore, Sebastian Otranto, Ronald E. Olson

Physics Faculty Research & Creative Works

In this work, we introduce a classical trajectory Monte Carlo (CTMC) methodology, specially conceived to provide a more accurate representation of charge-exchange processes between highly charged ions and H(1s) and H* (n=2). These processes are of particular relevance in power fusion reactor programs, for which charge-exchange spectroscopy has become a useful plasma diagnostics tool. To test the methodology, electron-capture reactions from these targets by C6+,N7+, and O8+ are studied at impact energies in the 10-150keV/amu range. State-selective cross sections are contrasted with those predicted by the standard microcanonical formulation of the CTMC method, the CTMC …


Fall: A Fair And Low Latency Queuing Scheme For Data Center Networks, Lin Xue, Chui Hui Chiu, Suman Kumar, Praveenkumar Kondikoppa, Seung Jong Park Mar 2015

Fall: A Fair And Low Latency Queuing Scheme For Data Center Networks, Lin Xue, Chui Hui Chiu, Suman Kumar, Praveenkumar Kondikoppa, Seung Jong Park

Computer Science Faculty Research & Creative Works

Low latency, high throughput, and fairness are the stringent performance requirements of data center networks. For web applications continue to thrive, data center must remain effective by addressing these challenges. While most of the challenges have been handled by data center specific transport protocols (e.g. DCTCP), these transport protocols are not default options for data center users. Free choice of transport protocols demands careful consideration for an effective solution. We argue that queuing scheme at layer-2 switches hold the key to address these issues. Therefore, in this paper, we present FaLL, a queuing scheme for data center networks that meets …


Kinematically Complete Study Of Low-Energy Electron-Impact Ionization Of Neon: Internormalized Cross Sections In Three-Dimensional Kinematics, Xueguang Ren, Sadek Amami, Oleg Zatsarinny, Thomas Pflüger, Marvin Weyland, Woon Yong Baek, Hans Rabus, Klaus Bartschat, Don H. Madison, Alexander Dorn Mar 2015

Kinematically Complete Study Of Low-Energy Electron-Impact Ionization Of Neon: Internormalized Cross Sections In Three-Dimensional Kinematics, Xueguang Ren, Sadek Amami, Oleg Zatsarinny, Thomas Pflüger, Marvin Weyland, Woon Yong Baek, Hans Rabus, Klaus Bartschat, Don H. Madison, Alexander Dorn

Physics Faculty Research & Creative Works

Low-energy (E0 0=65eV) electron-impact single ionization of Ne (2p) has been investigated to thoroughly test state-of-the-art theoretical approaches. The experimental data were measured using a reaction microscope, which can cover nearly the entire 4π solid angle for the secondary electron emission energies ranging from 2 to 8 eV, and projectile scattering angles ranging from 8.5⁰ to 20.0⁰. The experimental triple-differential cross sections are internormalized across all measured scattering angles and ejected energies. The experimental data are compared to predictions from a hybrid second-order distorted-wave Born plus R-matrix approach, the distorted-wave Born approximation with the inclusion of postcollision interaction (PCI), …