Physics Commons^™

Cooling Atomic Gases With Disorder, Ehsan Khatami, Thereza Paiva, Shuxiang Yang, Valéry Rousseau, Mark Jarrell, Juana Moreno, Randall Hulet, Richard Scalettar

Faculty Publications

Cold atomic gases have proven capable of emulating a number of fundamental condensed matter phenomena including Bose-Einstein condensation, the Mott transition, Fulde-Ferrell-Larkin-Ovchinnikov pairing, and the quantum Hall effect. Cooling to a low enough temperature to explore magnetism and exotic superconductivity in lattices of fermionic atoms remains a challenge. We propose a method to produce a low temperature gas by preparing it in a disordered potential and following a constant entropy trajectory to deliver the gas into a nondisordered state which exhibits these incompletely understood phases. We show, using quantum Monte Carlo simulations, that we can approach the Néel temperature of …

Comparison Of Microfacet Brdf Model To Modified Beckmann-Kirchhoff Brdf Model For Rough And Smooth Surfaces, Samuel D. Butler, Stephen E. Nauyoks, Michael A. Marciniak

Faculty Publications

A popular class of BRDF models is the microfacet models, where geometric optics is assumed. In contrast, more complex physical optics models may more accurately predict the BRDF, but the calculation is more resource intensive. These seemingly disparate approaches are compared in detail for the rough and smooth surface approximations of the modified Beckmann-Kirchhoff BRDF model, assuming Gaussian surface statistics. An approximation relating standard Fresnel reflection with the semi-rough surface polarization term, Q, is presented for unpolarized light. For rough surfaces, the angular dependence of direction cosine space is shown to be identical to the angular dependence in the microfacet …

New Transitions And Feeding Of The JΠ=(8+) Isomer In 186Re, David A. Matters, Nikolaos Fotiades, James J. Carroll, Christopher J. Chiara, John W. Mcclory, Toshihiko Kawano, Ronald O. Nelson, Matthew Devlin

Faculty Publications

The spallation neutron source at the Los Alamos Neutron Science Center Weapons Neutron Research facility was used to populate excited states in ¹⁸⁶Re via (n,2nγ) reactions on an enriched ¹⁸⁷Re target. Gamma rays were detected with the GErmanium Array for Neutron Induced Excitations spectrometer, a Compton-suppressed array of 18 HPGe detectors. Incident neutron energies were determined by the time-of-flight technique and used to obtain γ-ray excitation functions for the purpose of identifying γ rays by reaction channel. Analysis of the singles γ-ray spectrum gated on the neutron energy range 10≤E_n≤25MeV resulted in five transitions and one …

Force-Enhanced Atomic Refinement: Structural Modeling With Interatomic Forces In A Reverse Monte Carlo Approach Applied To Amorphous Si And Sio2, A. Pandey, Parthapratim Biswas, D. A. Drabold

Faculty Publications

We introduce a structural modeling technique, called force-enhanced atomic refinement (FEAR). The technique incorporates interatomic forces in reverse Monte Carlo (RMC) simulations for structural refinement by fitting experimental diffraction data using the conventional RMC algorithm, and minimizes the total energy and forces from an interatomic potential. We illustrate the usefulness of the approach by studying a−SiO₂ and a−Si. The structural and electronic properties of the FEAR models agree well with experimental neutron and x-ray diffraction data and the results obtained from previous molecular dynamics simulations of a−SiO₂ and a−Si. We have shown that the method is more efficient …

Sculpting The Band Gap: A Computational Approach, Kiran Prasai, Parthapratim Biswas, D.A. Drabold

Faculty Publications

Materials with optimized band gap are needed in many specialized applications. In this work, we demonstrate that Hellmann-Feynman forces associated with the gap states can be used to find atomic coordinates that yield desired electronic density of states. Using tight-binding models, we show that this approach may be used to arrive at electronically designed models of amorphous silicon and carbon. We provide a simple recipe to include a priori electronic information in the formation of computer models of materials, and prove that this information may have profound structural consequences. The models are validated with plane-wave density functional calculations.

No Vacuum Cerenkov Radiation Losses In The Timelike Lorentz-Violating Chern-Simons Theory, Karl Schober, Brett David Altschul

Faculty Publications

In a Lorentz- and CPT-violating modification of electrodynamics that includes a timelike Chern-Simons term, there are no energy losss through vacuum Cerenkov radiation. A charge moving with a constant velocity does not lose energy, because of an unusual cancellation. Higher frequency modes of the electromagnetic field carry away positive energy, but lower frequency modes carry away a compensating negative amount of energy.

Relativistic Elastic Differential Cross Sections For Equal Mass Nuclei, Charles M. Werneth, Khin M. Maung, W.P. Ford

Faculty Publications

The effects of relativistic kinematics are studied for nuclear collisions of equal mass nuclei. It is found that the relativistic and non-relativistic elastic scattering amplitudes are nearly indistinguishable, and, hence, the relativistic and non-relativistic differential cross sections become indistinguishable. These results are explained by analyzing the Lippmann–Schwinger equation with the first order optical potential that was employed in the calculation.

A Generalized Force-Modified Potential Energy Surface For Mechanochemical Simulations, Gopinath Subramanian, Nithin Mathew, Jeff Leiding

Faculty Publications

We describe the modifications that a spatially varying external load produces on a Born-Oppenheimer potential energy surface (PES) by calculating static quantities of interest. The effects of the external loads are exemplified using electronic structure calculations (at the HF/6-31G- level) of two different molecules: ethane and hexahydro-1,3,5-trinitro-s-triazine (RDX). The calculated transition states and Hessian matrices of stationary points show that spatially varying external loads shift the stationary points and modify the curvature of the PES, thereby affecting the harmonic transition rates by altering both the energy barrier as well as the prefactor. The harmonic spectra of both molecules are blueshifted …

Oxygen Vacancies In Lialo2 Crystals, Maurio S. Holston, I. P. Ferguson, John W. Mcclory, Nancy C. Giles, Larry E. Halliburton

Faculty Publications

Singly ionized oxygen vacancies are produced in LiAlO₂ crystals by direct displacement events during a neutron irradiation. These vacancies, with one trapped electron, are referred to as V+O centers. They are identified and characterized using electron paramagnetic resonance (EPR) and optical absorption. The EPR spectrum from the V+O centers is best monitored near 100 K with low microwave power. When the magnetic field is along the [001] direction, this spectrum has a g value of 2.0030 and well-resolved hyperfine interactions of 310 and 240 MHz with the two 27Al nuclei that are adjacent to the oxygen vacancy. A second …

Experimentally Generating Any Desired Partially Coherent Schell-Model Source Using Phase-Only Control, Milo W. Hyde Iv, Santasri Basu, David G. Voelz, Xifeng Xiao

Faculty Publications

A technique is presented to produce any desired partially coherent Schell-model source using a single phase-only liquid-crystal spatial light modulator (SLM). Existing methods use SLMs in combination with amplitude filters to manipulate the phase and amplitude of an initially coherent source. The technique presented here controls both the phase and amplitude using a single SLM, thereby making the amplitude filters unnecessary. This simplifies the optical setup and significantly increases the utility and flexibility of the resulting system. The analytical development of the technique is presented and discussed. To validate the proposed approach, experimental results of three partially coherent Schell-model sources …

Improving Production Of Carbon Nanotube Composites, Dan Broadbent

Faculty Publications

Carbon nanotube (CNT) composites offer great promise for making lighter, thinner and stronger structures. Producing CNT composites, however, can be tricky. The focus of this work is to improve production yields of CNT composites by doing research and development in two areas:

• Research the relationship between ethylene gas concentrations used during CNT growth and yields of usable composite films produced.
• Develop furnace for growing larger CNT samples, which will enable larger sizes and quantities of research product.

Improved Terahertz Modulation Using Germanium Telluride (Gete) Chalcogenide Thin Films, Alexander H. Gwin, Christopher H. Kodama, Tod V. Laurvick, Ronald Coutu Jr., Philip F. Taday

Faculty Publications

We demonstrate improved terahertz (THz) modulation using thermally crystallized germanium telluride (GeTe) thin films. GeTe is a chalcogenide material that exhibits a nonvolatile, amorphous to crystalline phase change at approximately 200 °C, as well as six orders of magnitude decreased electrical resistivity. In this study, amorphous GeTe thin films were sputtered on sapphire substrates and then tested using THz time-domain spectroscopy (THz-TDS). The test samples, heated in-situ while collecting THz-TDS measurements, exhibited a gradual absorbance increase, an abrupt nonvolatile reduction at the transition temperature, followed by another gradual increase in absorbance. The transition temperature was verified by conducting similar thermal …

Structural Variation Of Alpha-Synuclein With Temperature By A Coarse-Grained Approach With Knowledge-Based Interactions, Peter Mirau, Barry L. Farmer, Ras B. Pandey

Faculty Publications

Despite enormous efforts, our understanding the structure and dynamics of α-synuclein (ASN), a disordered protein (that plays a key role in neurodegenerative disease) is far from complete. In order to better understand sequence-structure-property relationships in α-SYNUCLEIN we have developed a coarse-grained model using knowledge-based residue-residue interactions and used it to study the structure of free ASN as a function of temperature (T) with a large-scale Monte Carlo simulation. Snapshots of the simulation and contour contact maps show changes in structure formation due to self-assembly as a function of temperature. Variations in the residue mobility profiles reveal clear distinction among three …

Self-Assembly Dynamics For The Transition Of A Globular Aggregate To A Fibril Network Of Lysozyme Proteins Via A Coarse-Grained Monte Carlo Simulation, Ras B. Pandey, Barry L. Farmer, Bernard S. Gerstman

Faculty Publications

The self-organizing dynamics of lysozymes (an amyloid protein with 148 residues) with different numbers of protein chains, Nc = 1,5,10, and 15(concentration 0.004 – 0.063) is studied by a coarse-grained Monte Carlo simulation with knowledge-based residue-residue interactions. The dynamics of an isolated lysozyme (Nc = 1) is ultra-slow (quasi-static) at low temperatures and becomes diffusive asymptotically on raising the temperature. In contrast, the presence of interacting proteins leads to concentration induced protein diffusion at low temperatures and concentration-tempering sub-diffusion at high temperatures. Variation of the radius of gyration of the protein with temperature shows a …

Nuclear Parton Distributions And The Drell-Yan Reaction, S. A. Kulagin, Roberto Petti

Faculty Publications

We discuss the nuclear parton distribution functions on the basis of our recently developed semi-microscopic model, which takes into account a number of nuclear effects including Fermi motion and nuclear binding, nuclear meson-exchange currents and off-shell corrections to bound nucleon distributions as well as nuclear shadowing effect. We also discuss application to the nuclear Drell-Yan process and compare our predictions with data from the E772 and E866 experiments.

Interstitial Silicon Ions In Rutile Tio2 Crystals, Eric M. Golden, Nancy C. Giles, Shan Yang, Larry E. Halliburton

Faculty Publications

Electron paramagnetic resonance (EPR) is used to identify a new and unique photoactive silicon-related point defect in single crystals of rutile TiO₂. The importance of this defect lies in its assignment to interstitial silicon ions and the unexpected establishment of silicon impurities as a major hole trap in TiO₂. Principal g values of this new S=1/2 center are 1.9159, 1.9377, and 1.9668 with principal axes along the [¯110],[001], and [110] directions, respectively. Hyperfine structure in the EPR spectrum shows the unpaired spin interacting equally with two Ti nuclei and unequally with two Si nuclei. These silicon …

Observation Of Interlayer Phonon Modes In Van Der Waals Heterostructures, C. H. Lui, Zhipeng Ye, Chao Ji, Kuan-Chang Chiu, Cheng-Tse Chou, Trond I. Andersen, Casie Means-Shively, Heidi Anderson, Jenn-Ming Wu, Tim Kidd, Yi-Hsien Lee, Rui He

Faculty Publications

We have investigated the vibrational properties of van der Waals heterostructures of monolayer transition metal dichalcogenides (TMDs), specifically MoS₂/WSe₂ and MoSe₂/MoS₂ heterobilayers and twisted MoS₂ bilayers, by means of ultralow-frequency Raman spectroscopy. We discovered Raman features (at 30–40 cm−1) that arise from the layer-breathing mode (LBM) vibration between the two incommensurate TMD monolayers in these structures. The LBM Raman intensity correlates strongly with the suppression of photoluminescence that arises from interlayer charge transfer. The LBM is generated only in bilayer areas with direct layer-layer contact and an atomically clean interface. Its frequency also …

Manipulation Of Subsurface Carbon Nanoparticles In Bi2sr2cacu2o8+Δ Using A Scanning Tunneling Microscope, A. J. Stollenwerk, N. Hurley, B. Beck, K. Spurgeon, Tim Kidd, G. Gu

Faculty Publications

We present evidence that subsurface carbon nanoparticles in Bi₂Sr₂CaCu₂O_8+δ can be manipulated with nanometer precision using a scanning tunneling microscope. High-resolution images indicate that most of the carbon particles remain subsurface after transport observable as a local increase in height as the particle pushes up on the surface. Tunneling spectra in the vicinity of these protrusions exhibit semiconducting characteristics with a band gap of approximately 1.8 eV, indicating that the incorporation of carbon locally alters the electronic properties near the surface.

Observation Of Antiferromagnetic Correlations In The Hubbard Model With Ultracold Atoms, Russell Hart, Pedro Duarte, Tsung-Lin Yang, Xinxing Liu, Thereza Paiva, Ehsan Khatami, Richard Scalettar, Nandini Trivedi, David Huse, Randall Hulet

Faculty Publications

Ultracold atoms in optical lattices have great potential to contribute to a better understanding of some of the most important issues in many-body physics, such as high-temperature superconductivity. The Hubbard model—a simplified representation of fermions moving on a periodic lattice—is thought to describe the essential details of copper oxide superconductivity. This model describes many of the features shared by the copper oxides, including an interaction-driven Mott insulating state and an antiferromagnetic (AFM) state. Optical lattices filled with a two-spin-component Fermi gas of ultracold atoms can faithfully realize the Hubbard model with readily tunable parameters, and thus provide a platform for …

Impact Of Homogeneous Strain On Uranium Vacancy Diffusion In Uranium Dioxide, Anuj Goyal, Simon R. Phillpot, Gopinath Subramanian, David A. Andersson, Chris R. Stanek, Blas P. Uberuaga

Faculty Publications

We present a detailed mechanism of, and the effect of homogeneous strains on, the migration of uranium vacancies in UO₂. Vacancy migration pathways and barriers are identified using density functional theory and the effect of uniform strain fields are accounted for using the dipole tensor approach. We report complex migration pathways and noncubic symmetry associated with the uranium vacancy in UO₂ and show that these complexities need to be carefully accounted for to predict the correct diffusion behavior of uranium vacancies. We show that under homogeneous strain fields, only the dipole tensor of the saddle with respect …

Compressibility Of A Fermionic Mott Insulator Of Ultracold Atoms, Pedro Duarte, Russell Hart, Tsung-Lin Yang, Xinxing Liu, Thereza Paiva, Ehsan Khatami, Richard Scalettar, Nandini Trivedi, Randall Hulet

Faculty Publications

We characterize the Mott insulating regime of a repulsively interacting Fermi gas of ultracold atoms in a three-dimensional optical lattice. We use in situ imaging to extract the central density of the gas and to determine its local compressibility. For intermediate to strong interactions, we observe the emergence of a plateau in the density as a function of atom number, and a reduction of the compressibility at a density of one atom per site, indicating the formation of a Mott insulator. Comparisons to state-of-the-art numerical simulations of the Hubbard model over a wide range of interactions reveal that the temperature …

Search For Unbound Be-15 States In The 3n+Be-12 Channel, A. N. Kuchera, A. Spyrou, J. K. Smith, T. Baumann, G. Christian, Paul A. De Young, J. E. Finck, N. Frank, M. D. Jones, Z. Kohley, S. Mosby, W. A. Peters, M. Thoennessen

Faculty Publications

Background: Be-15 is expected to have low-lying 3/2(+) and 5/2(+) states. A first search did not find the 3/2(+) [A. Spyrou et al., Phys. Rev. C 84, 044309 (2011)]; however, a resonance in Be-15 was populated in a second attempt and determined to be unbound with respect to Be-14 by 1.8(1) MeV with a tentative spin-parity assignment of 5/2(+) [J. Snyder et al., Phys. Rev. C 88, 031303(R) (2013)]. Purpose: Search for the predicted Be-15 3/2(+) state in the three-neutron decay channel. Method: A two-proton removal reaction from a 55 MeV/u C-17 beam was used to populate neutron-unbound states in …

Theoretical Investigation Of Stabilities And Optical Properties Of Si12C12 Clusters, Xiaofeng F. Duan, Larry W. Burggraf

Faculty Publications

By sorting through hundreds of globally stable Si₁₂C₁₂ isomers using a potential surface search and using simulated annealing, we have identified low-energy structures. Unlike isomers knit together by Si–C bonds, the lowest energy isomers have segregated carbon and silicon regions that maximize stronger C–C bonding. Positing that charge separation between the carbon and silicon regions would produce interesting optical absorption in these cluster molecules, we used time-dependent density functional theory to compare the calculated optical properties of four isomers representing structural classes having different types of silicon and carbon segregation regions. Absorptions involving charge transfer between segregated …

Lifetime Measurement Of The Cesium 6p3/2 Level Using Ultrafast Pump-Probe Laser Pulses, B. M. Patterson, J. F. Sell, T. Ehrenreich, M. A. Gearba, G. M. Brooke, J. Scoville, R. J. Knize

Faculty Publications

Using the inherent timing stability of pulses from a mode-locked laser, we measure the cesium 6P_3/2 excited-state lifetime. An initial pump pulse excites cesium atoms in two counterpropagating atomic beams to the 6P_3/2 level. A subsequent synchronized probe pulse ionizes atoms that remain in the excited state and the photoions are collected and counted. By selecting pump pulses that vary in time with respect to the probe pulses, we obtain a sampling of the excited-state population in time, resulting in a lifetime value of 30.462(46) ns. The measurement uncertainty (0.15%) is slightly larger than our previous report of …

Geometry Dependence Of The Sign Problem In Quantum Monte Carlo Simulations, V. Iglovikov, Ehsan Khatami, R. Scalettar

Faculty Publications

The sign problem is the fundamental limitation to quantum Monte Carlo simulations of the statistical mechanics of interacting fermions. Determinant quantum Monte Carlo (DQMC) is one of the leading methods to study lattice fermions, such as the Hubbard Hamiltonian, which describe strongly correlated phenomena including magnetism, metal-insulator transitions, and possibly exotic superconductivity. Here, we provide a comprehensive dataset on the geometry dependence of the DQMC sign problem for different densities, interaction strengths, temperatures, and spatial lattice sizes. We supplement these data with several observations concerning general trends in the data, including the dependence on spatial volume and how this can …

Finite-Temperature Superconducting Correlations Of The Hubbard Model, Ehsan Khatami, Richard Scalettar, Rajiv Singh

Faculty Publications

We utilize numerical linked-cluster expansions (NLCEs) and the determinantal quantum Monte Carlo algorithm to study pairing correlations in the square-lattice Hubbard model. To benchmark the NLCE, we first locate the finite-temperature phase transition of the attractive model to a superconducting state away from half filling. We then explore the superconducting properties of the repulsive model for the d-wave and extended s-wave pairing symmetries. The pairing structure factor shows a strong tendency to d-wave pairing and peaks at an interaction strength comparable to the bandwidth. The extended s-wave structure factor and correlation length are larger at higher temperatures but clearly saturate …

Axial Vibrations Of Brass Wind Instrument Bells And Their Acoustical Influence: Experiments, Thomas R. Moore, Britta R. Gorman, Michelle Rokni, Wilfried Kausel, Vasileios Chatziioannou

Faculty Publications

It has recently been proposed that the effects of structural vibrations on the radiated sound ofbrass wind instruments may be attributable to axial modes of vibration with mode shapes that contain no radial nodes [Kausel, Chatziioannou, Moore, Gorman, and Rokni, J. Acoust. Soc. Am.137, 3149–3162 (2015)]. Results of experiments are reported that support this theory. Mechanical measurements of a trumpet bell demonstrate that these axial modes do exist inbrass wind instruments. The quality factor of the mechanical resonances can be on the order of 10 or less, making them broad enough to encompass the frequency range of previously reported effects …

Reconfigurable Solid-State Dye-Doped Polymer Ring Resonator Lasers, Hengky Chandrahalim, Xudong Fan

Faculty Publications

This paper presents wavelength configurable on-chip solid-state ring lasers fabricated by a single-mask standard lithography. The single- and coupled-ring resonator hosts were fabricated on a fused-silica wafer and filled with 3,3′-Diethyloxacarbocyanine iodide (CY3), Rhodamine 6G (R6G) and 3,3′-Diethylthiadicarbocyanine iodide (CY5)-doped polymer as the reconfigurable gain media. The recorded lasing threshold was ~220 nJ/mm² per pulse for the single-ring resonator laser with R6G, marking the lowest threshold shown by solid-state dye-doped polymer lasers fabricated with a standard lithography process on a chip. A single-mode lasing from a coupled-ring resonator system with the lasing threshold of ~360 nJ/mm² per pulse …

Monolithic Optofluidic Ring Resonator Lasers Created By Femtosecond Laser Nanofabrication, Hengky Chandrahalim, Qiushu Chen, Ali A. Said, Mark Dugan, Xudong Fan

Faculty Publications

We designed, fabricated, and characterized a monolithically integrated optofluidic ring resonator laser that is mechanically, thermally, and chemically robust. The entire device, including the ring resonator channel and sample delivery microfluidics, was created in a block of fused-silica glass using a 3-dimensional femtosecond laser writing process. The gain medium, composed of Rhodamine 6G (R6G) dissolved in quinoline, was flowed through the ring resonator. Lasing was achieved at a pump threshold of approximately 15 μJ/mm². Detailed analysis shows that the Q-factor of the optofluidic ring resonator is 3.3 × 10⁴, which is limited by both solvent …

Instrument For Precision Long-Term Ss-Decay Rate Measurements, M. J. Ware, Scott D. Bergeson, J. E. Ellsworth, M. Groesbeck, J. E. Hansen, D. Pace, J. Peatross

Faculty Publications

We describe an experimental setup for making precision measurements of relative ß-decay rates of ²²Na, ³⁶Cl, ⁵⁴Mn, ⁶⁰Co, ⁹⁰Sr, ¹³³Ba, ¹³⁷Cs, ¹⁵²Eu, and ¹⁵⁴Eu. The radioactive samples are mounted in two automated sample changers that sequentially position the samples with high spatial precision in front of sets of detectors. The set of detectors for one sample changer consists of four Geiger-Müller (GM) tubes and the other set of detectors consists of two NaI scintillators. The statistical uncertainty in the count rate is few times 0.01% per day for the GM …