Physical Sciences and Mathematics | Open Access Articles

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 …

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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 …

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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 …

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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 …

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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 …

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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 …

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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 …

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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 …

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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), …

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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

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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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 InO_{6 …}

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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

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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Full-Text Articles in Physical Sciences and Mathematics

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

Physics Faculty Research & Creative Works

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

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

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

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

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

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

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

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

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

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

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