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Missouri University of Science and Technology

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Articles 61 - 90 of 104

Full-Text Articles in Numerical Analysis and Scientific Computing

Dynamic Phases, Pinning, And Pattern Formation For Driven Dislocation Assemblies, Caizhi Zhou, Charles Reichhardt, Cynthia Olson Reichhardt, Irene J. Beyerlein Jan 2015

Dynamic Phases, Pinning, And Pattern Formation For Driven Dislocation Assemblies, Caizhi Zhou, Charles Reichhardt, Cynthia Olson Reichhardt, Irene J. Beyerlein

Materials Science and Engineering Faculty Research & Creative Works

We examine driven dislocation assemblies and show that they can exhibit a set of dynamical phases remarkably similar to those of driven systems with quenched disorder such as vortices in superconductors, magnetic domain walls, and charge density wave materials. These phases include pinned-jammed, fluctuating, and dynamically ordered states, and each produces distinct dislocation patterns as well as specific features in the noise fluctuations and transport properties. Our work suggests that many of the results established for systems with quenched disorder undergoing plastic depinning transitions can be applied to dislocation systems, providing a new approach for understanding pattern formation and dynamics …

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Composition-Dependent Structural And Transport Properties Of Amorphous Transparent Conducting Oxides, Rabi Khanal, D. Bruce Buchholz, Robert P. Chang, Julia E. Medvedeva Jan 2015

Composition-Dependent Structural And Transport Properties Of Amorphous Transparent Conducting Oxides, Rabi Khanal, D. Bruce Buchholz, Robert P. Chang, Julia E. Medvedeva

Physics Faculty Research & Creative Works

Structural properties of amorphous In-based oxides, In-X-O with X=Zn, Ga, Sn, or Ge, are investigated using ab initio molecular dynamics liquid-quench simulations. The results reveal that indium retains its average coordination of 5.0 upon 20% X fractional substitution for In, whereas X cations satisfy their natural coordination with oxygen atoms. This finding suggests that the carrier generation is primarily governed by In atoms, in accord with the observed carrier concentration in amorphous In-O and In-X-O. At the same time, the presence of X affects the number of six-coordinated In atoms as well as the oxygen sharing between the InO6 …

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Electron- And Photon-Impact Ionization Of Furfural, D. B. Jones, E. Ali, K. L. Nixon, P. Limão-Vieira, M.-J. Hubin-Franskin, J. Delwiche, C. G. Ning, J. Colgan, Andrew J. Murray, Don H. Madison, M .J. Brunger Jan 2015

Electron- And Photon-Impact Ionization Of Furfural, D. B. Jones, E. Ali, K. L. Nixon, P. Limão-Vieira, M.-J. Hubin-Franskin, J. Delwiche, C. G. Ning, J. Colgan, Andrew J. Murray, Don H. Madison, M .J. Brunger

Physics Faculty Research & Creative Works

The He(i) photoelectron spectrum of furfural has been investigated, with its vibrational structure assigned for the first time. The ground and excited ionized states are assigned through ab initio calculations performed at the outer-valence Green's function level. Triple differential cross sections (TDCSs) for electron-impact ionization of the unresolved combination of the 4a" + 21a' highest and next-highest occupied molecular orbitals have also been obtained. Experimental TDCSs are recorded in a combination of asymmetric coplanar and doubly symmetric coplanar kinematics. The experimental TDCSs are compared to theoretical calculations, obtained within a molecular 3-body distorted wave framework that employed either an orientation …

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Computational Discovery Of Lanthanide Doped And Co-Doped Y₃Al₅O₁₂ For Optoelectronic Applications, Kamal Kumar Choudhary, Aleksandr V. Chernatynskiy, Kiran Mathew, Eric W. Bucholz, Simon R. Phillpot, Susan Sinnott, Richard G. Hennig Jan 2015

Computational Discovery Of Lanthanide Doped And Co-Doped Y₃Al₅O₁₂ For Optoelectronic Applications, Kamal Kumar Choudhary, Aleksandr V. Chernatynskiy, Kiran Mathew, Eric W. Bucholz, Simon R. Phillpot, Susan Sinnott, Richard G. Hennig

Physics Faculty Research & Creative Works

We systematically elucidate the optoelectronic properties of rare-earth doped and Ce co-doped yttrium aluminum garnet (YAG) using hybrid exchange-correlation functional based density functional theory. The predicted optical transitions agree with the experimental observations for single doped Ce:YAG, Pr:YAG, and co-doped Er,Ce:YAG. We find that co-doping of Ce-doped YAG with any lanthanide except Eu and Lu lowers the transition energies; we attribute this behavior to the lanthanide-induced change in bonding environment of the dopant atoms. Furthermore, we find infrared transitions only in case of the Er, Tb, and Tm co-doped Ce:YAG and suggest Tm,Ce:YAG and Tb,Ce:YAG as possible functional materials for …

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Boron Nitride Colloidal Solutions, Ultralight Aerogels And Freestanding Membranes Through One-Step Exfoliation And Functionalization, Weiwei Lei, Vadym Mochalin, Dan Liu, Si Qin, Yury G. Gogotsi, Ying Chen Jan 2015

Boron Nitride Colloidal Solutions, Ultralight Aerogels And Freestanding Membranes Through One-Step Exfoliation And Functionalization, Weiwei Lei, Vadym Mochalin, Dan Liu, Si Qin, Yury G. Gogotsi, Ying Chen

Chemistry Faculty Research & Creative Works

Manufacturing of aerogels and membranes from hexagonal boron nitride (h-BN) is much more difficult than from graphene or graphene oxides because of the poor dispersibility of h-BN in water, which limits its exfoliation and preparation of colloidal solutions. Here, a simple, one-step mechano-chemical process to exfoliate and functionalize h-BN into highly water-dispersible, few-layer h-BN containing amino groups is presented. The colloidal solutions of few-layer h-BN can have unprecedentedly high concentrations, up to 30 mg ml-1, and are stable for up to several months. They can be used to produce ultralight aerogels with a density of 1.4 mg cm …

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A Domain Decomposition Method For The Steady-State Navier-Stokes-Darcy Model With Beavers-Joseph Interface Condition, Xiaoming He, Jian Li, Yanping Lin, Ju Ming Jan 2015

A Domain Decomposition Method For The Steady-State Navier-Stokes-Darcy Model With Beavers-Joseph Interface Condition, Xiaoming He, Jian Li, Yanping Lin, Ju Ming

Mathematics and Statistics Faculty Research & Creative Works

This paper proposes and analyzes a Robin-type multiphysics domain decomposition method (DDM) for the steady-state Navier-Stokes-Darcy model with three interface conditions. In addition to the two regular interface conditions for the mass conservation and the force balance, the Beavers-Joseph condition is used as the interface condition in the tangential direction. The major mathematical difficulty in adopting the Beavers-Joseph condition is that it creates an indefinite leading order contribution to the total energy budget of the system [Y. Cao et al., Comm. Math. Sci., 8 (2010), pp. 1-25; Y. Cao et al., SIAM J. Numer. Anal., 47 (2010), pp. 4239-4256]. In …

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Big Data -- A 21st Century Science Maginot Line? No-Boundary Thinking: Shifting From The Big Data Paradigm, Xiuzhen Huang, Steven F. Jennings, Barry Bruce, Alison Buchan, Liming Cai, Pengyin Chen, Carole Cramer, Weihua Guan, Uwe Kk Hilgert, Hongmei Jiang, Zenglu Li, Gail Mcclure, Donald F. Mcmullen, Bindu Nanduri, Andy Perkins, Bhanu Rekepalli, Saeed Salem, Jennifer Specker, Karl Walker, Donald C. Wunsch, Donghai Xiong, Shuzhong Zhang, Yu Zhang, Zhongming Zhao, Jason H. Moore Jan 2015

Big Data -- A 21st Century Science Maginot Line? No-Boundary Thinking: Shifting From The Big Data Paradigm, Xiuzhen Huang, Steven F. Jennings, Barry Bruce, Alison Buchan, Liming Cai, Pengyin Chen, Carole Cramer, Weihua Guan, Uwe Kk Hilgert, Hongmei Jiang, Zenglu Li, Gail Mcclure, Donald F. Mcmullen, Bindu Nanduri, Andy Perkins, Bhanu Rekepalli, Saeed Salem, Jennifer Specker, Karl Walker, Donald C. Wunsch, Donghai Xiong, Shuzhong Zhang, Yu Zhang, Zhongming Zhao, Jason H. Moore

Electrical and Computer Engineering Faculty Research & Creative Works

Whether your interests lie in scientific arenas, the corporate world, or in government, you have certainly heard the praises of big data: Big data will give you new insights, allow you to become more efficient, and/or will solve your problems. While big data has had some outstanding successes, many are now beginning to see that it is not the Silver Bullet that it has been touted to be. Here our main concern is the overall impact of big data; the current manifestation of big data is constructing a Maginot Line in science in the 21st century. Big data is not …

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Vehicle Base Station, Emad William Saad, John L. Vian, Matthew A. Vavrina, Jared A. Nisbett, Donald C. Wunsch Dec 2014

Vehicle Base Station, Emad William Saad, John L. Vian, Matthew A. Vavrina, Jared A. Nisbett, Donald C. Wunsch

Electrical and Computer Engineering Faculty Research & Creative Works

A system to load and unload material from a vehicle comprises a vehicle base station and an assembly to autonomously load and unload material from the vehicle.

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X-Ray Emission Produced In Charge-Exchange Collisions Between Highly Charged Ions And Argon: Role Of The Multiple Electron Capture, Sebastian Otranto, N. D. Cariatore, Ronald E. Olson Dec 2014

X-Ray Emission Produced In Charge-Exchange Collisions Between Highly Charged Ions And Argon: Role Of The Multiple Electron Capture, Sebastian Otranto, N. D. Cariatore, Ronald E. Olson

Physics Faculty Research & Creative Works

In this work we use the classical trajectory Monte Carlo method within an eight-electron scheme to theoretically study photonic spectra that follow charge-exchange processes between highly charged ions of charge states 10+, 17+, 18+, and 36+ with neutral argon. The energy range considered is 18 eV/amu to 4 keV/amu, covering typical electron beam ion traps and solar wind energies. The role played by multiple electron capture processes for the different collision systems under consideration is explicitly analyzed and its contribution separated as arising from radiative decay and autoionizing multiple capture. For the present collision systems we find that multiple electron …

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Theoretical And Experimental (E, 2e) Study Of Electron-Impact Ionization Of Laser-Aligned Mg Atoms, Sadek Amami, Andrew J. Murray, Al Stauffer, Kate Nixon, Gregory Armstrong, James Colgan, Don H. Madison Dec 2014

Theoretical And Experimental (E, 2e) Study Of Electron-Impact Ionization Of Laser-Aligned Mg Atoms, Sadek Amami, Andrew J. Murray, Al Stauffer, Kate Nixon, Gregory Armstrong, James Colgan, Don H. Madison

Physics Faculty Research & Creative Works

We have performed calculations of the fully differential cross sections for electron-impact ionization of magnesium atoms. Three theoretical approximations, the time-dependent close coupling, the three-body distorted wave, and the distorted wave Born approximation, are compared with experiment in this article. Results will be shown for ionization of the 3s ground state of Mg for both asymmetric and symmetric coplanar geometries. Results will also be shown for ionization of the 3p state which has been excited by a linearly polarized laser which produces a charge cloud aligned perpendicular to the laser beam direction and parallel to the linear polarization. Theoretical and …

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Large-Scale Mechanical Buckle Fold Development And The Initiation Of Tensile Fractures, Andreas Eckert, Peter Connolly, Xiaolong Liu Nov 2014

Large-Scale Mechanical Buckle Fold Development And The Initiation Of Tensile Fractures, Andreas Eckert, Peter Connolly, Xiaolong Liu

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Tensile failure associated with buckle folding is commonly associated to the distribution of outer arc extension but has also been observed on fold limbs. This study investigates whether tensile stresses and associated failure can be explained by the process of buckling under realistic in situ stress conditions. A 2-D plane strain finite element modeling approach is used to study single-layer buckle folds with a Maxwell viscoelastic rheology. A variety of material parameters are considered and their influence on the initiation of tensile stresses during the various stages of deformation is analyzed. It is concluded that the buckling process determines the …

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Enhanced Rare-Region Effects In The Contact Process With Long-Range Correlated Disorder, Ahmed K. Ibrahim, Hatem Barghathi, Thomas Vojta Oct 2014

Enhanced Rare-Region Effects In The Contact Process With Long-Range Correlated Disorder, Ahmed K. Ibrahim, Hatem Barghathi, Thomas Vojta

Physics Faculty Research & Creative Works

We investigate the nonequilibrium phase transition in the disordered contact process in the presence of long-range spatial disorder correlations. These correlations greatly increase the probability for finding rare regions that are locally in the active phase while the bulk system is still in the inactive phase. Specifically, if the correlations decay as a power of the distance, the rare-region probability is a stretched exponential of the rare-region size rather than a simple exponential as is the case for uncorrelated disorder. As a result, the Griffiths singularities are enhanced and take a non-power-law form. The critical point itself is of infinite-randomness …

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Phase Transitions On Random Lattices: How Random Is Topological Disorder?, Hatem Barghathi, Thomas Vojta Sep 2014

Phase Transitions On Random Lattices: How Random Is Topological Disorder?, Hatem Barghathi, Thomas Vojta

Physics Faculty Research & Creative Works

We study the effects of topological (connectivity) disorder on phase transitions. We identify a broad class of random lattices whose disorder fluctuations decay much faster with increasing length scale than those of generic random systems, yielding a wandering exponent of ω = (d−1)/(2d) in d dimensions. The stability of clean critical points is thus governed by the criterion (d+1)ν > 2 rather than the usual Harris criterion dν > 2, making topological disorder less relevant than generic randomness. The Imry-Ma criterion is also modified, allowing first-order transitions to survive in all dimensions d > 1. These results explain a host of puzzling violations …

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Strong-Disorder Magnetic Quantum Phase Transitions: Status And New Developments, Thomas Vojta Sep 2014

Strong-Disorder Magnetic Quantum Phase Transitions: Status And New Developments, Thomas Vojta

Physics Faculty Research & Creative Works

This article reviews the unconventional effects of random disorder on magnetic quantum phase transitions, focusing on a number of new experimental and theoretical developments during the last three years. On the theory side, we address smeared quantum phase transitions tuned by changing the chemical composition, for example in alloys of the type A1-xBx. We also discuss how the interplay of order parameter conservation and overdamped dynamics leads to enhanced quantum Griffiths singularities in disordered metallic ferromagnets. Finally, we discuss a semiclassical theory of transport properties in quantum Griffiths phases. Experimental examples include the ruthenates Sr1-x …

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Theoretical/Experimental Comparison Of Deep Tunneling Decay Of Quasi-Bound H(D)Oco To H(D) + Co₂, Albert F. Wagner, Richard Dawes, Robert Continetti, Hua Guo Aug 2014

Theoretical/Experimental Comparison Of Deep Tunneling Decay Of Quasi-Bound H(D)Oco To H(D) + Co₂, Albert F. Wagner, Richard Dawes, Robert Continetti, Hua Guo

Chemistry Faculty Research & Creative Works

The measured H(D)OCO survival fractions of the photoelectron-photofragment coincidence experiments by the Continetti group are qualitatively reproduced by tunneling calculations to H(D) + CO2 on several recent ab initio potential energy surfaces for the HOCO system. the tunneling calculations involve effective one-dimensional barriers based on steepest descent paths computed on each potential energy surface. the resulting tunneling probabilities are converted into H(D)OCO survival fractions using a model developed by the Continetti group in which every oscillation of the H(D)-OCO stretch provides an opportunity to tunnel. Four different potential energy surfaces are examined with the best qualitative agreement with experiment …

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Effect Of The Center-Of-Mass Approximation On The Scaling Of Electron-Capture Fully Differential Cross Sections, A. L. Harris, Don H. Madison Aug 2014

Effect Of The Center-Of-Mass Approximation On The Scaling Of Electron-Capture Fully Differential Cross Sections, A. L. Harris, Don H. Madison

Physics Faculty Research & Creative Works

We present results for p+He single electron capture and transfer with target excitation using the first Born approximation. The effect of approximating the center of mass of the helium atom and outgoing hydrogen atom at the respective nuclei is explored. Semianalytical results are compared for the calculations with and without the approximation, and it is shown that one must properly account for the center of mass of the atoms. It is also shown that this approximation is the result of the apparent v4 scaling that was previously observed with the four-body transfer with target excitation model.

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Communication: Rigorous Quantum Dynamics Of O + O₂ Exchange Reactions On An Ab Initio Potential Energy Surface Substantiate The Negative Temperature Dependence Of Rate Coefficients, Yaqin Li, Zhigang Sun, Bin Jiang, Daiqian Xie, Richard Dawes, Hua Guo Aug 2014

Communication: Rigorous Quantum Dynamics Of O + O₂ Exchange Reactions On An Ab Initio Potential Energy Surface Substantiate The Negative Temperature Dependence Of Rate Coefficients, Yaqin Li, Zhigang Sun, Bin Jiang, Daiqian Xie, Richard Dawes, Hua Guo

Chemistry Faculty Research & Creative Works

The kinetics and dynamics of several O + O2 isotope exchange reactions have been investigated on a recently determined accurate global O3 potential energy surface using a time-dependent wave packet method. The agreement between calculated and measured rate coefficients is significantly improved over previous work. More importantly, the experimentally observed negative temperature dependence of the rate coefficients is for the first time rigorously reproduced theoretically. This negative temperature dependence can be attributed to the absence in the new potential energy surface of a submerged "reef" structure, which was present in all previous potential energy surfaces. In addition, contributions …

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Seismic Imaging Of Mantle Transition Zone Discontinuities Beneath The Northern Red Sea And Adjacent Areas, A. A. Mohamed, Stephen S. Gao, A. A. Elsheikh, Kelly H. Liu, Youqiang Yu, R. E. Fat-Helbary Aug 2014

Seismic Imaging Of Mantle Transition Zone Discontinuities Beneath The Northern Red Sea And Adjacent Areas, A. A. Mohamed, Stephen S. Gao, A. A. Elsheikh, Kelly H. Liu, Youqiang Yu, R. E. Fat-Helbary

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

The dramatic asymmetry in terms of surface elevation, Cenozoic volcanisms and earthquake activity across the Red Sea is an enigmatic issue in global tectonics, partially due to the unavailability of broad-band seismic data on the African Plate adjacent to the Red Sea. Here, we report the first comprehensive image of the mantle transition zone (MTZ) discontinuities using data from the Egyptian National Seismic Network, and compare the resulting depths of the 410 and 660-km discontinuities with those observed on the Arabian side. Our results show that when a standard earth model is used for time-to-depth conversion, the resulting depth of …

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Mantle Transition Zone Discontinuities Beneath The Contiguous United States, Stephen S. Gao, Kelly H. Liu Aug 2014

Mantle Transition Zone Discontinuities Beneath The Contiguous United States, Stephen S. Gao, Kelly H. Liu

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Using over 310,000 high-quality radial receiver functions recorded by the USArray and other seismic stations in the contiguous United States, the depths of the 410 km and 660 km discontinuities (d410 and d660) are mapped in over 1,000 consecutive overlapping circles with a radius of 1⁰. The average mantle transition zone (MTZ) thickness for both the western and central/eastern U.S. is within 3 km from the global average of 250 km, suggesting an overall normal MTZ temperature beneath both areas. The Pacific Coast Ranges and the southern Basin and Range Province are underlain by a depressed d410, indicating higher-than-normal temperature …

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Evidence For Magnetic Clusters In Ni₁₋ₓvₓ Close To The Quantum Critical Concentration, R. Wang, S. Ubaid-Kassis, A. Schroeder, P. J. Baker, F. L. Pratt, S. J. Blundell, T. Lancaster, I. Franke, J. S. Möller, Thomas Vojta Jul 2014

Evidence For Magnetic Clusters In Ni₁₋ₓvₓ Close To The Quantum Critical Concentration, R. Wang, S. Ubaid-Kassis, A. Schroeder, P. J. Baker, F. L. Pratt, S. J. Blundell, T. Lancaster, I. Franke, J. S. Möller, Thomas Vojta

Physics Faculty Research & Creative Works

The d-metal alloy Ni1-xVx undergoes a quantum phase transition from a ferromagnetic ground state to a paramagnetic ground state as the vanadium concentration x is increased. We present magnetization, ac-susceptibility and muon-spin relaxation data at several vanadium concentrations near the critical concentration xc ~ 11.6 % at which the onset of ferromagnetic order is suppressed to zero temperature. Below xc, the muon data reveal a broad magnetic field distribution indicative of a long-range ordered ferromagnetic state with spatial disorder. We show evidence of magnetic clusters in the ferromagnetic phase and close to the phase …

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Rare Regions And Griffiths Singularities At A Clean Critical Point: The Five-Dimensional Disordered Contact Process, Thomas Vojta, John Igo, José A. Hoyos Jul 2014

Rare Regions And Griffiths Singularities At A Clean Critical Point: The Five-Dimensional Disordered Contact Process, Thomas Vojta, John Igo, José A. Hoyos

Physics Faculty Research & Creative Works

We investigate the nonequilibrium phase transition of the disordered contact process in five space dimensions by means of optimal fluctuation theory and Monte Carlo simulations. We find that the critical behavior is of mean-field type, i.e., identical to that of the clean five-dimensional contact process. It is accompanied by off-critical power-law Griffiths singularities whose dynamical exponent z' saturates at a finite value as the transition is approached. These findings resolve the apparent contradiction between the Harris criterion, which implies that weak disorder is renormalization-group irrelevant, and the rare-region classification, which predicts unconventional behavior. We confirm and illustrate our theory by …

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Theoretical And Experimental Investigation Of (E, 2e) Ionization Of Argon 3p In Asymmetric Kinematics At Intermediate Energy, Sadek Amami, Melike Ulu, Zehra Nur Ozer, Murat Yavuz, Suay Kazgoz, Mevlut Dogan, Oleg Zatsarinny, Klaus Bartschat, Don H. Madison Jul 2014

Theoretical And Experimental Investigation Of (E, 2e) Ionization Of Argon 3p In Asymmetric Kinematics At Intermediate Energy, Sadek Amami, Melike Ulu, Zehra Nur Ozer, Murat Yavuz, Suay Kazgoz, Mevlut Dogan, Oleg Zatsarinny, Klaus Bartschat, Don H. Madison

Physics Faculty Research & Creative Works

The field of electron-impact ionization of atoms, or (e, 2e), has provided significant detailed information about the physics of collisions. For ionization of hydrogen and helium, essentially exact numerical methods have been developed which can correctly predict what will happen. For larger atoms, we do not have theories of comparable accuracy. Considerable attention has been given to ionization of inert gases and, of the inert gases, argon seems to be the most difficult target for theory. There have been several studies comparing experiment and perturbative theoretical approaches over the last few decades, and generally qualitative but not quantitative agreement is …

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Fully Differential Cross Sections For Electron-Impact Excitation-Ionization Of Aligned D₂, Esam Ali, A. L. Harris, J. Lower, E. Weigold, Chuang-Gang Ning, Don H. Madison Jun 2014

Fully Differential Cross Sections For Electron-Impact Excitation-Ionization Of Aligned D₂, Esam Ali, A. L. Harris, J. Lower, E. Weigold, Chuang-Gang Ning, Don H. Madison

Physics Faculty Research & Creative Works

We examine fully differential cross sections for 176 eV electron-impact dissociative excitation-ionization of orientated D2 for transitions to final ion states 2sσg, 2pσu, and 2pπu. In previous work [Phys. Rev. A 88, 062705 (2013)PLRAAN1050-294710.1103/PhysRevA.88.062705], we calculated these cross sections using the molecular four-body distorted wave (M4DW) method with the ground-state D2 wave function being approximated by a product of two Dyson 1s-type orbitals. The theoretical results were compared with experimental measurements for five different orientations of the target molecule (four in the scattering plane and one perpendicular to the scattering plane). For the unresolved …

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Theoretical Triple-Differential Cross Sections Of A Methane Molecule By A Proper-Average Method, Hari Chaluvadi, C. G. Ning, Don H. Madison Jun 2014

Theoretical Triple-Differential Cross Sections Of A Methane Molecule By A Proper-Average Method, Hari Chaluvadi, C. G. Ning, Don H. Madison

Physics Faculty Research & Creative Works

For the last few years, our group has calculated cross sections for electron-impact ionization of molecules using the molecular three-body distorted-wave approximation coupled with the orientation-averaged molecular orbital (OAMO) approximation. This approximation was very successful for calculating ionization cross sections for hydrogen molecules and to a lesser extent nitrogen molecules. Recently we used the approximation to calculate single ionization cross sections for the 1t2 state of methane (CH4) and we found major discrepancies with the experimental data. Here we investigate the validity of the OAMO approximation by calculating cross sections that have been properly averaged over all …

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A Uniform Database Of Teleseismic Shear Wave Splitting Measurements For The Western And Central United States, Kelly H. Liu, Ahmed Elsheikh, Awas Lemnifi, Uranbaigal Purevsuren, Melissa Ray, Hesham Refayee, Bin B. Yang, Youqiang Yu, Stephen S. Gao May 2014

A Uniform Database Of Teleseismic Shear Wave Splitting Measurements For The Western And Central United States, Kelly H. Liu, Ahmed Elsheikh, Awas Lemnifi, Uranbaigal Purevsuren, Melissa Ray, Hesham Refayee, Bin B. Yang, Youqiang Yu, Stephen S. Gao

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

We present a shear wave splitting (SWS) database for the western and central United States as part of a lasting effort to build a uniform SWS database for the entire North America. The SWS measurements were obtained by minimizing the energy on the transverse component of the PKS, SKKS, and SKS phases. Each of the individual measurements was visually checked to ensure quality. This version of the database contains 16,105 pairs of splitting parameters. The data used to generate the parameters were recorded by 1774 digital broadband seismic stations over the period of 1989-2012, and represented all the available data …

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New Pod Error Expressions, Error Bounds, And Asymptotic Results For Reduced Order Model Of Parabolic Pdes, John R. Singler Apr 2014

New Pod Error Expressions, Error Bounds, And Asymptotic Results For Reduced Order Model Of Parabolic Pdes, John R. Singler

Mathematics and Statistics Faculty Research & Creative Works

The derivations of existing error bounds for reduced order models of time varying partialdi erential equations (PDEs) constructed using proper orthogonal decomposition (POD) haverelied on bounding the error between the POD data and various POD projections of that data.Furthermore, the asymptotic behavior of the model reduction error bounds depends on theasymptotic behavior of the POD data approximation error bounds. We consider time varyingdata taking values in two di erent Hilbert spacesHandV, withVH, and prove exactexpressions for the POD data approximation errors considering four di erent POD projectionsand the two di erent Hilbert space error norms. Furthermore, the exact error expressions …

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Seismic Anisotropy And Subduction-Induced Mantle Fabrics Beneath The Arabian And Nubian Plates Adjacent To The Red Sea, Ahmed A. Elsheikh, Stephen S. Gao, Kelly H. Liu, Abdelnasser A. Mohamed, Youqiang Yu, Raafat E. Fat-Helbary Apr 2014

Seismic Anisotropy And Subduction-Induced Mantle Fabrics Beneath The Arabian And Nubian Plates Adjacent To The Red Sea, Ahmed A. Elsheikh, Stephen S. Gao, Kelly H. Liu, Abdelnasser A. Mohamed, Youqiang Yu, Raafat E. Fat-Helbary

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

For most continental areas, the mechanisms leading to mantle fabrics responsible for the observed anisotropy remain ambiguous, partially due to the lack of sufficient spatial coverage of reliable seismological observations. Here we report the first joint analysis of shear-wave splitting measurements obtained at stations on the Arabian and Nubian Plates adjacent to the Red Sea. More than 1100 pairs of high-quality splitting parameters show dominantly N-S fast orientations at all 47 stations and larger-than-normal splitting times beneath the Afro-Arabian Dome (AAD). The uniformly N-S fast orientations and large splitting times up to 1.5 s are inconsistent with significant contributions from …

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Phonon Density Of States And Anharmonicity Of Uo₂, Judy W. Pang, Aleksandr V. Chernatynskiy, Bennett C. Larson, William J. Buyers, Douglas L. Abernathy, Kenneth J. Mcclellan, Simon R. Phillpot Mar 2014

Phonon Density Of States And Anharmonicity Of Uo₂, Judy W. Pang, Aleksandr V. Chernatynskiy, Bennett C. Larson, William J. Buyers, Douglas L. Abernathy, Kenneth J. Mcclellan, Simon R. Phillpot

Physics Faculty Research & Creative Works

Phonon density of states (PDOS) measurements have been performed on polycrystalline UO2 at 295 and 1200 K using time-of-flight inelastic neutron scattering to investigate the impact of anharmonicity on the vibrational spectra and to benchmark ab initio PDOS simulations performed on this strongly correlated Mott insulator. Time-of-flight PDOS measurements include anharmonic linewidth broadening, inherently, and the factor of ~7 enhancement of the oxygen spectrum relative to the uranium component by the increased neutron sensitivity to the oxygen-dominated optical phonon modes. The first-principles simulations of quasiharmonic PDOS spectra were neutron weighted and anharmonicity was introduced in an approximate way by …

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Computational Study Of The Rovibrational Spectrum Of Co₂-Cs₂, James Corgan Brown, Xiao-Gang Wang, Tucker Carrington Jr., Garry S. Grubbs, Richard Dawes Mar 2014

Computational Study Of The Rovibrational Spectrum Of Co₂-Cs₂, James Corgan Brown, Xiao-Gang Wang, Tucker Carrington Jr., Garry S. Grubbs, Richard Dawes

Chemistry Faculty Research & Creative Works

A new intermolecular potential energy surface, rovibrational transition frequencies, and line strengths are computed for CO2-CS2. the potential is made by fitting energies obtained from explicitly correlated coupled-cluster calculations using an interpolating moving least squares method. the rovibrational Schrödinger equation is solved with a symmetry-adapted Lanczos algorithm and an uncoupled product basis set. All four intermolecular coordinates are included in the calculation. in agreement with previous experiments, the global minimum of the potential energy surface (PES) is cross shaped. the PES also has slipped-parallel minima. Rovibrational wavefunctions are localized in the cross minima and the slipped-parallel …

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Receiver Function Constraints On Crustal Seismic Velocities And Partial Melting Beneath The Red Sea Rift And Adjacent Regions, Afar Depression, Cory A. Reed, Sattam Almadani, Stephen S. Gao, Ahmed A. Elsheikh, Solomon Cherie, Mohamed G. Abdel Salam, Allison K. Thurmond, Kelly H. Liu Mar 2014

Receiver Function Constraints On Crustal Seismic Velocities And Partial Melting Beneath The Red Sea Rift And Adjacent Regions, Afar Depression, Cory A. Reed, Sattam Almadani, Stephen S. Gao, Ahmed A. Elsheikh, Solomon Cherie, Mohamed G. Abdel Salam, Allison K. Thurmond, Kelly H. Liu

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

The Afar Depression is an ideal locale for the investigation of crustal processes involved in the transition from continental rifting to oceanic spreading. To provide relatively high resolution images of the crust beneath the Red Sea rift (RSR) represented by the Tendaho graben in the Afar Depression, we deployed an array of 18 broadband seismic stations in 2010 and 2011. Stacking of about 2300 receiver functions from the 18 and several nearby stations along the ~200 km long array reveals an average crustal thickness of 22 ± 4 km, ranging from ~17 km near the RSR axis to 30 km …

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