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Full-Text Articles in Physical Sciences and Mathematics

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 …


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 …


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 …


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 …


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 …


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 …


Criticality And Quenched Disorder: Harris Criterion Versus Rare Regions, Thomas Vojta, José A. Hoyos Feb 2014

Criticality And Quenched Disorder: Harris Criterion Versus Rare Regions, Thomas Vojta, José A. Hoyos

Physics Faculty Research & Creative Works

We employ scaling arguments and optimal fluctuation theory to establish a general relation between quantum Griffiths singularities and the Harris criterion for quantum phase transitions in disordered systems. If a clean critical point violates the Harris criterion, it is destabilized by weak disorder. At the same time, the Griffiths dynamical exponent z' diverges upon approaching the transition, suggesting unconventional critical behavior. In contrast, if the Harris criterion is fulfilled, power-law Griffiths singularities can coexist with clean critical behavior, but z' saturates at a finite value. We present applications of our theory to a variety of systems including quantum spin chains, …


Role Of Electron Saddle Swaps In The Photon Spectra Following Li³⁺ Charge-Exchange Collisions With H*(N = 2), Na(3s), Na*(3p), And Li(2s) Targets, Sebastian Otranto, R. Hoekstra, Ronald E. Olson Feb 2014

Role Of Electron Saddle Swaps In The Photon Spectra Following Li³⁺ Charge-Exchange Collisions With H*(N = 2), Na(3s), Na*(3p), And Li(2s) Targets, Sebastian Otranto, R. Hoekstra, Ronald E. Olson

Physics Faculty Research & Creative Works

The role of electron saddle swaps in collisions of bare Li with metastable hydrogen and alkali-metal atoms is investigated by means of the classical trajectory Monte Carlo method. In particular, we show that oscillations as a function of collision energy in the photon spectra resulting from charge exchange are directly related to the number of potential-saddle crossings that a receding electron can achieve during a given reaction. The range of impact energies spanned is 0.01-50 keV/amu, an area of interest for diagnostic purposes in tokamak nuclear fusion power reactors.


Strong-Randomness Infinite-Coupling Phase In A Random Quantum Spin Chain, Fawaz Hrahsheh, José A. Hoyos, Rajesh Narayanan, Thomas Vojta Jan 2014

Strong-Randomness Infinite-Coupling Phase In A Random Quantum Spin Chain, Fawaz Hrahsheh, José A. Hoyos, Rajesh Narayanan, Thomas Vojta

Physics Faculty Research & Creative Works

We study the ground-state phase diagram of the Ashkin-Teller random quantum spin chain by means of a generalization of the strong-disorder renormalization group. In addition to the conventional paramagnetic and ferromagnetic (Baxter) phases, we find a partially ordered phase characterized by strong randomness and infinite coupling between the colors. This unusual phase acts, at the same time, as a Griffiths phase for two distinct quantum phase transitions, both of which are of infinite-randomness type. We also investigate the quantum multicritical point that separates the two-phase and three-phase regions, and we discuss generalizations of our results to higher dimensions and other …


Dynamical (E,2e) Studies Of Tetrahydropyran And 1,4-Dioxane, J. D. Builth-Williams, G. Da Silva, L. Chiari, D. B. Jones, Hari Chaluvadi, Don H. Madison, M. J. Brunger Jan 2014

Dynamical (E,2e) Studies Of Tetrahydropyran And 1,4-Dioxane, J. D. Builth-Williams, G. Da Silva, L. Chiari, D. B. Jones, Hari Chaluvadi, Don H. Madison, M. J. Brunger

Physics Faculty Research & Creative Works

We present experimental and theoretical results for the electron-impact ionization of the highest occupied molecular orbitals of tetrahydropyran and 1,4-dioxane. Using an (e,2e) technique in asymmetric coplanar kinematics, angular distributions of the slow ejected electron, with an energy of 20 eV, are measured when incident electrons at 250 eV ionize the target and scatter through an angle of either -10° or -15°. The data are compared with calculations performed at the molecular 3-body distorted wave level. Fair agreement between the theoretical model and the experimental measurements was observed. The similar structures for these targets provide key insights for assessing the …


Contact Process On Generalized Fibonacci Chains: Infinite-Modulation Criticality And Double-Log Periodic Oscillations, Hatem Barghathi, David Nozadze, Thomas Vojta Jan 2014

Contact Process On Generalized Fibonacci Chains: Infinite-Modulation Criticality And Double-Log Periodic Oscillations, Hatem Barghathi, David Nozadze, Thomas Vojta

Physics Faculty Research & Creative Works

We study the nonequilibrium phase transition of the contact process with aperiodic transition rates using a real-space renormalization group as well as Monte Carlo simulations. The transition rates are modulated according to the generalized Fibonacci sequences defined by the inflation rules A → ABk and B → A. For k=1 and 2, the aperiodic fluctuations are irrelevant, and the nonequilibrium transition is in the clean directed percolation universality class. For k ≥ 3, the aperiodic fluctuations are relevant. We develop a complete theory of the resulting unconventional "infinite-modulation" critical point, which is characterized by activated dynamical scaling. Moreover, observables …


Kapitza Resistance Of Si/Sio₂ Interface, Bowen Deng, Aleksandr V. Chernatynskiy, Marat Khafizov, David H. Hurley, Simon R. Phillpot Jan 2014

Kapitza Resistance Of Si/Sio₂ Interface, Bowen Deng, Aleksandr V. Chernatynskiy, Marat Khafizov, David H. Hurley, Simon R. Phillpot

Physics Faculty Research & Creative Works

A phonon wave packet dynamics method is used to characterize the Kapitza resistance of a Si/SiO2 interface in a Si/SiO2/Si heterostructure. By varying the thickness of SiO2 layer sandwiched between two Si layers, we determine the Kapitza resistance for the Si/SiO 2 interface from both wave packet dynamics and a direct, non-equilibrium molecular dynamics approach. The good agreement between the two methods indicates that they have each captured the anharmonic phonon scatterings at the interface. Moreover, detailed analysis provides insights as to how individual phonon mode scatters at the interface and their contribution to the Kapitza …


Phonon Thermal Transport Through Tilt Grain Boundaries In Strontium Titanate, Zexi Zheng, Xiang Chen, Bowen Deng, Aleksandr V. Chernatynskiy, Shengfeng Yang, Jinjun Xiong, Youping Chen Jan 2014

Phonon Thermal Transport Through Tilt Grain Boundaries In Strontium Titanate, Zexi Zheng, Xiang Chen, Bowen Deng, Aleksandr V. Chernatynskiy, Shengfeng Yang, Jinjun Xiong, Youping Chen

Physics Faculty Research & Creative Works

In this work, we perform nonequilibrium molecular dynamics simulations to study phonon scattering at two tilt grain boundaries (GBs) in SrTiO3. Mode-wise energy transmission coefficients are obtained based on phonon wave-packet dynamics simulations. The Kapitza conductance is then quantified using a lattice dynamics approach. The obtained results of the Kapitza conductance of both GBs compare well with those obtained by the direct method, except for the temperature dependence. Contrary to common belief, the results of this work show that the optical modes in SrTiO3 contribute significantly to phonon thermal transport, accounting for over 50% of the Kapitza …


Triply Differential (E,2e) Studies Of Phenol, Silva G. Da, R. F. Neves, L. Chiari, D. B. Jones, E. Ali, Don H. Madison, C. G. Ning, K. L. Nixon, M. C. Lopes, M. J. Brunger Jan 2014

Triply Differential (E,2e) Studies Of Phenol, Silva G. Da, R. F. Neves, L. Chiari, D. B. Jones, E. Ali, Don H. Madison, C. G. Ning, K. L. Nixon, M. C. Lopes, M. J. Brunger

Physics Faculty Research & Creative Works

We have measured (e,2e) triple differential cross sections (TDCS) for the electron-impact ionisation of phenol with coplanar asymmetrical kinematics for an incident electron energy of 250 eV. Experimental measurements of the angular distribution of the slow outgoing electrons at 20 eV are obtained when the incident electron scatters through angles of -5°, -10°, and -15°, respectively. The TDCS data are compared with calculations performed within the molecular 3-body distorted wave model. In this case, a mixed level of agreement, that was dependent on the kinematical condition being probed, was observed between the theoretical and experimental results in the binary peak …