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DOE OSTI2024

Quantum fluctuations lead to glassy electron dynamics in the good metal regime of electron doped KTaO 3

One of the central challenges in condensed matter physics is to comprehend systems that have strong disorder and strong interactions. In the strongly localized regime, their subtle competition leads to glassy electron dynamics which ceases to exist well before the insulator-to-metal transition is approached as a function of doping. Here, we report on the discovery of glassy electron dynamics deep inside the good metal regime of an electron-doped quantum paraelectric system: KTaO 3 . We reveal that upon excitation of electrons from defect states to the conduction band, the excess injected carriers in the conduction band relax in a stretched exponential manner with a large relaxation time, and the system evinces simple aging phenomena—a telltale sign of glassy dynamics. Most significantly, we observe a critical slowing down of carrier dynamics below 35 K, concomitant with the onset of quantum paraelectricity in the undoped KTaO 3 . Our combined investigation using second harmonic generation technique, density functional theory and phenomenological modeling demonstrates quantum fluctuation-stabilized soft polar modes as the impetus for the glassy behavior. This study addresses one of the most fundamental questions regarding the potential promotion of glassiness by quantum fluctuations and opens a route for exploring glassy dynamics of electrons in a well-delocalized regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2017

DaMaSCUS: the impact of underground scatterings on direct detection of light dark matter

Conventional dark matter direct detection experiments set stringent constraints on dark matter by looking for elastic scattering events between dark matter particles and nuclei in underground detectors. However these constraints weaken significantly in the sub-GeV mass region, simply because light dark matter does not have enough energy to trigger detectors regardless of the dark matter-nucleon scattering cross section. Even if future experiments lower their energy thresholds, they will still be blind to parameter space where dark matter particles interact with nuclei strongly enough that they lose enough energy and become unable to cause a signal above the experimental threshold by the time they reach the underground detector. Therefore in case dark matter is in the sub-GeV region and strongly interacting, possible underground scatterings of dark matter with terrestrial nuclei must be taken into account because they affect significantly the recoil spectra and event rates, regardless of whether the experiment probes DM via DM-nucleus or DM-electron interaction. To quantify this effect we present the publicly available Dark Matter Simulation Code for Underground Scatterings (DaMaSCUS), a Monte Carlo simulator of DM trajectories through the Earth taking underground scatterings into account. Our simulation allows the precise calculation of the density and velocity distribution of dark matter at any detector of given depth and location on Earth. The simulation can also provide the accurate recoil spectrum in underground detectors as well as the phase and amplitude of the diurnal modulation caused by this shadowing effect of the Earth, ultimately relating the modulations expected in different detectors, which is important to decisively conclude if a diurnal modulation is due to dark matter or an irrelevant background.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Crystalline solutions of the Kohn-Sham equations in the fractional quantum Hall regime

A Kohn-Sham density functional approach has recently been developed for the fractional quantum Hall effect, which maps the strongly interacting electrons into a system of weakly interacting composite fermions subject to an exchange correlation potential as well as a density dependent gauge field that mimics the "flux quanta" bound to composite fermions. To get a feel for the role of various terms, we study the behavior of the self-consistent solution as a function of the strength of the exchange correlation potential, which is varied through an ad hoc multiplicative factor. Here, we find that a crystal phase is stabilized when the exchange correlation interaction is sufficiently strong relative to the composite-fermion cyclotron energy. Various properties of this crystal are examined.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Search for the chiral magnetic effect with isobar collisions at $\sqrt{s_{NN}}$ = 200 GeV by the STAR Collaboration at the BNL Relativistic Heavy Ion Collider

The chiral magnetic effect (CME) is predicted to occur as a consequence of a local violation of P and CP symmetries of the strong interaction amidst a strong electro-magnetic field generated in relativistic heavy-ion collisions. Experimental manifestation of the CME involves a separation of positively and negatively charged hadrons along the direction of the magnetic field. Previous measurements of the CME-sensitive charge-separation observables remain inconclusive because of large background contributions. In order to better control the influence of signal and backgrounds, the STAR Collaboration performed a blind analysis of a large data sample of approximately 3.8 billion isobar collisions of $^{96}_{44}$Ru + $^{96}_{44}$Ru and $^{96}_{40}$Zr + $^{96}_{40}$Zr at $\sqrt{s_{NN}}$ = 200 GeV. Prior to the blind analysis, the CME signatures are predefined as a significant excess of the CME-sensitive observables in Ru + Ru collisions over those in Zr + Zr collisions, owing to a larger magnetic field in the former. Here, a precision down to 0.4% is achieved, as anticipated, in the relative magnitudes of the pertinent observables between the two isobar systems. Observed differences in the multiplicity and flow harmonics at the matching centrality indicate that the magnitude of the CME background is different between the two species. No CME signature that satisfies the predefined criteria has been observed in isobar collisions in this blind analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1972

Compressible boundary layer with normal pressure gradients: Quasi-similarity equations - Their properties at the wall and at sharp and blunt leading edges.

The failure of most viscous-inviscid interaction methods at strong interactions is attributed to the presence of a normal pressure gradient. A new theory is proposed for supersonic laminar boundary layers that can generate normal pressure gradients. The Navier-Stokes equations are reexamined by an order of magnitude analysis and all first and second order terms are retained. The approximation is found to be dependent not only on the boundary layer thickness but also on the ratio of the dimensionless viscosity and density. The equations are transformed into two quasi-similar, nonlinear, third order, ordinary integro-differential equations for the velocity and pressure as functions of a single transverse variable. The properties of the equations at the boundaries are discussed.

Seginer, A.↗

NASA NTRS2016

Electromagnetic Dissociation Cross Sections for High LET Fragments

Nuclear interaction cross sections are used in space radiation transport codes to calculate the probability of fragment emission in high energy nucleus-nucleus collisions. Strong interactions usually dominate in these collisions, but electromagnetic (EM) interactions can also sometimes be important. Strong interactions typically occur when the projectile nucleus hits a target nucleus, with a small impact parameter. For impact parameters larger than the sum of the nuclear radii, EM reactions dominate and the process is called electromagnetic dissociation (EMD) if one of the nuclei undergo fragmentation. Previous models of EMD have been used to calculate single proton (p) production, single neutron (n) production or light ion production, where a light ion is defined as an isotope of hydrogen (H) or helium (He), such as a deuteron (2H), a triton (3H), a helion (3He) or an alpha particle (4He). A new model is described which can also account for multiple nucleon production, such as 2p, 2n, 1p1n, 2p1n, 2p2n, etc. in addition to light ion production. Such processes are important to include for the following reasons. Consider, for example, the EMD reaction 56Fe + Al --> 52Cr + X + Al, for a 56Fe projectile impacting Al, which produces the high linear energy transfer (LET) fragment 52Cr. In this reaction, the most probable particles representing X are either 2p2n or 4He. Therefore, production of the high LET fragment 52Cr, must include the multiple nucleon production of 2p2n in addition to the light ion production of 4He. Previous models, such as the NUCFRG3 model, could only account for the 4He production process in this reaction and could not account for 2p2n. The new EMD model presented in this work accounts for both the light ion and multiple nucleon processes, and is therefore able to correctly account for the production of high LET products such as 52Cr. The model will be described and calculations will be presented that show the importance of light ion and multiple nucleon production. The work will also show that EMD reactions contribute most to those fragments with the highest LET.

Norbury, John↗

DOE OSTI2017

Three-dimensional Magnetohydrodynamical Simulations of the Morphology of Head–Tail Radio Galaxies Based on the Magnetic Tower Jet Model

The distinctive morphology of head–tail radio galaxies reveals strong interactions between the radio jets and their intra-cluster environment, the general consensus on the morphology origin of head–tail sources is that radio jets are bent by violent intra-cluster weather. We demonstrate in this paper that such strong interactions provide a great opportunity to study the jet properties and also the dynamics of the intra-cluster medium (ICM). By three-dimensional magnetohydrodynamical simulations, we analyze the detailed bending process of a magnetically dominated jet, based on the magnetic tower jet model. We use stratified atmospheres modulated by wind/shock to mimic the violent intra-cluster weather. Core sloshing is found to be inevitable during the wind-cluster core interaction, which induces significant shear motion and could finally drive ICM turbulence around the jet, making it difficult for the jet to survive. We perform a detailed comparison between the behavior of pure hydrodynamical jets and the magnetic tower jet and find that the jet-lobe morphology could not survive against the violent disruption in all of our pure hydrodynamical jet models. On the other hand, the head–tail morphology is well reproduced by using a magnetic tower jet model bent by wind, in which hydrodynamical instabilities are naturally suppressed and the jet could always keep its integrity under the protection of its internal magnetic fields. Finally, we also check the possibility for jet bending by shock only. We find that shock could not bend the jet significantly, and thus could not be expected to explain the observed long tails in head–tail radio galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Magnetic interactions in strongly correlated systems: Spin and orbital contributions

We present a technique to map an electronic model with local interactions (a generalized multi-orbital Hubbard model) onto an effective model of interacting classical spins, by requiring that the thermodynamic potentials associated to spin rotations in the two systems are equivalent up to second order in the rotation angles, when the electronic system is in a symmetry-broken phase. This allows to determine the parameters of relativistic and non-relativistic magnetic interactions in the effective spin model in terms of equilibrium Green’s functions of the electronic model. The Hamiltonian of the electronic system includes, in addition to the non-relativistic part, relativistic single-particle terms such as the Zeeman coupling to an external magnetic field, spin–orbit coupling, and arbitrary magnetic anisotropies; the orbital degrees of freedom of the electrons are explicitly taken into account. We determine the complete relativistic exchange tensors, accounting for anisotropic exchange, Dzyaloshinskii–Moriya interactions, as well as additional non-diagonal symmetric terms (which may include dipole–dipole interaction). The expressions of all these magnetic interactions are determined in a unified framework, including previously disregarded features such as the vertices of two-particle Green’s functions and non-local self-energies. We do not assume any smallness in spin–orbit coupling, so our treatment is in this sense exact. Finally, we show how to distinguish and address separately the spin, orbital and spin–orbital contributions to magnetism, providing expressions that can be computed within a tight-binding Dynamical Mean Field Theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Assessment of Impacts of Dissolved Organic Matter and Dissolved Iron on the Performance of Amidoxime-Based Adsorbents for Seawater Uranium Extraction

Research on extraction of uranium from seawater has been active in recent years because this technology can provide an additional supply of uranium for nuclear fuel from a much larger uranium reservoir (the oceans) and the processes are more environment friendly. One critical challenge of the development of this technology is to make uranium adsorbents perform well not just in the oversimplified laboratory system (e.g. artificial seawater) but also in the complex real seawater matrix, which is comprised of many competing ions and natural organic substances. Here, we conducted a systematic study using a continuous-flow seawater flume system to assess the potential impacts of dissolved organic matter (DOM) and dissolved iron on the uranium uptake performance (including adsorbent reusability) of amidoxime-based adsorbents. In the 28-day exposure, the adsorbent exposed in dissolved Fe-spiked seawater (low DOM/high Fe) and humic acid-spiked seawater (high DOM/high Fe) showed lower uranium adsorption loadings (73% and 56% of adsorption loading, respectively) than the same adsorbent exposed in seawater without spiking (low DOM/low Fe). Interestingly, the uranium adsorption loading of the reused adsorbent (after uranium stripping by a mild bicarbonate elution) in the dissolved Fe-spiked seawater dropped substantially to only 24% of the loading in the unspiked clean seawater counterpart; while not much change was observed in the performance of adsorbent exposed to the humic acid-spiked seawater. From comparison of FTIR signatures of adsorbent before and after the seawater exposure, we found that the amidoxime ligands in the adsorbent exposed to dissolved Fe-spiked seawater had severer degradation than the adsorbents exposed to humic acid-spiked seawater and unspiked clean seawater. Notably, unlike the adsorbent exposed to dissolved Fe-spiked seawater, the adsorbent exposed to humic acid-spiked seawater didn’t adsorb elevated level of Fe compared to the adsorbent in the unspiked clean seawater. This suggests that the species of Fe in the humic acid-spiked seawater (primarily humic acid bound Fe) didn’t interact with amidoxime-based adsorbent; while the Fe species in the Fe-spiked seawater strongly interacted with adsorbent and caused significant degradation of amidoxime ligands. On the other hand, highly variable uranium adsorption loadings were observed in adsorbent in contact with humic acid-spiked seawater, but not in the adsorbents exposed to dissolved Fe-spiked seawater and seawater without spike. Our observations thus indicate that seawater receiving high inputs of DOM and dissolved Fe, such as coastal waters, is not ideal for efficient extraction of uranium.

Uranium, Seawater, amidoxime-based adsorbents, dis↗

DOE OSTI2017

Phonon linewidth due to electron-phonon interactions with strong forward scattering in FeSe thin films on oxide substrates

Here, the discovery of an enhanced superconducting transition temperature T c in monolayers of FeSe grown on several oxide substrates has opened a new route to high- T c superconductivity through interface engineering. One proposal for the origin of the observed enhancement is an electronphonon (e-ph) interaction across the interface that peaked at small momentum transfers. In this paper, we examine the implications of such a coupling on the phononic properties of the system. We show that a strong forward scattering leads to a sizable broadening of phonon lineshape, which may result in charge instabilities at long-wavelengths. However, we further find that the inclusion of Coulombic screening significantly reduces the phonon broadening. Our results show that one might not expect anomalously broad phonon linewidths in the FeSe interface systems, despite the fact that the e-ph interaction has a strong peak in the forward scattering (small q ) direction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2016

Research in Lattice Gauge Theory and in the Phenomenology of Neutrinos and Dark Matter

Research in theoretical elementary particle physics was performed by the PI Yannick Meurice and co-PI Mary Hall Reno. New techniques designed for precision calculations of strong interaction physics were developed using the tensor renormalization group method. Large-scale Monte Carlo simulations with dynamical quarks were performed for candidate models for Higgs compositeness. Ab-initio lattice gauge theory calculations of semileptonic decays of B-mesons observed in collider experiments and relevant to test the validity of the standard model were performed with the Fermilab/MILC collaboration. The phenomenology of strong interaction physics was applied to new predictions for physics processes in accelerator physics experiments and to cosmic ray production and interactions. A research focus has been on heavy quark production and their decays to neutrinos. The heavy quark contributions to atmospheric neutrino and muon fluxes have been evaluated, as have the neutrino fluxes from accelerator beams incident on heavy targets. Results are applicable to current and future particle physics experiments and to astrophysical neutrino detectors such as the IceCube Neutrino Observatory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Epitaxial and Strong Support Interactions between Pt and LaFeO 3 Films Stabilize Pt Dispersion

The ability to stabilize very small Pt crystallites in supported-metal catalysts following harsh treatments is an important industrial problem. Herein, we demonstrate that Pt particles can be maintained in the 1- to 2-nm range following multiple oxidation and reduction cycles at 1073 K when the particles are supported on 0.5-nm LaFeO 3 films that have been deposited onto MgAl 2 O 4 using atomic layer deposition (ALD). Characterization by Scanning Transmission Electron Microscopy (STEM) suggest that, when the catalyst is oxidized at 1073 K, the Pt crystallites are oriented with respect to the underlying LaFeO 3 . X-Ray Absorption Spectroscopy (XAS) also shows evidence for changes in the Pt environment. CO-oxidation rates for the reduced catalyst remain unchanged after five redox cycles at 1073 K. Epitaxial growth of Pt clusters and the consequent strong metal-support interaction between Pt and LaFeO 3 are indicated to be prime reasons for the enhanced catalytic performances.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Strong QCD Insights from Excited Nucleon Structure Studies with CLAS and CLAS12

Studies of the spectrum of hadrons and their structure in experiments with electromagnetic probes offer unique insight into many facets of the strong interaction in the regime of large quark-gluon running coupling, i.e. the regime of strong QCD. The experimental program within Hall B at Jefferson Laboratory based on data acquired with the CLAS spectrometer using electron and photon beams with energies up to 6 GeV has already considerably extended the scope of research in hadron physics in joint efforts between experiment and phenomenological data analysis. Impressive progress in relating the hadron structure observables inferred from the data to the strong QCD mechanisms underlying hadron mass generation has been achieved in the past decade. Furthermore, these results will be considerably extended with data from the experimental program with the new CLAS12 spectrometer that has begun data taking using electron beams with energies up to 11 GeV. With this extended kinematic reach the structure of nucleon resonances will be probed at the highest photon virtualities ever achieved in the studies of exclusive electroproduction, which will allow for the exploration of the distance scale where>98% of light hadron mass emerges from QCD in the transition of the strong interaction from the regime of quark-gluon confinement to perturbative QCD.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2017

Electrodynamical forbiddance of a strong quadrupole interaction in surface enhanced optical processes. Experimental confirmation of the existence in fullerene C{sub 60}

It is demonstrated that in the SERS and SEIRA spectra of the fullerene C{sub 60}, the lines, which are forbidden in usual Raman and IR spectra and allowed in SERS and SEIRA, are absent. In addition the enhancement SERS coefficient in a single molecule detection regime is ~10{sup 8} instead of the value 10{sup 14}–10{sup 15}, characteristic for this phenomenon. These results are explained by the existence of so-called electrodynamical forbiddance of a strong quadrupole light-molecule interaction, which arises because of belonging of C{sup 60} to the icosahedral symmetry group and due to the electrodynamical law divE = 0.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2016

Strong coupling of plasmon and nanocavity modes for dual-band, near-perfect absorbers and ultrathin photovoltaics

In this study, when optical resonances interact strongly, hybridized modes are formed with mixed properties inherited from the basic modes. Strong coupling therefore tends to equalize properties such as damping and oscillator strength of the spectrally separate resonance modes. This effect is here shown to be very useful for the realization of near-perfect dual-band absorption with ultrathin (~10 nm) layers in a simple geometry. Absorber layers are constructed by atomic layer deposition of the heavy-damping semiconductor tin monosulfide (SnS) onto a two-dimensional gold nanodot array. In combination with a thin (55 nm) SiO 2 spacer layer and a highly reflective Al film on the back, a semiopen nanocavity is formed. The SnS-coated array supports a localized surface plasmon resonance in the vicinity of the lowest order antisymmetric Fabry–Perot resonance of the nanocavity. Very strong coupling of the two resonances is evident through anticrossing behavior with a minimum peak splitting of 400 meV, amounting to 24% of the plasmon resonance energy. The mode equalization resulting from this strong interaction enables simultaneous optical impedance matching of the system at both resonances and thereby two near-perfect absorption peaks, which together cover a broad spectral range. When paired with the heavy damping from SnS band-to-band transitions, this further enables approximately 60% of normal incident solar photons with energies exceeding the band gap to be absorbed in the 10 nm SnS coating. Thereby, these results establish a distinct relevance of strong coupling phenomena to efficient, nanoscale photovoltaic absorbers and more generally for fulfilling a specific optical condition at multiple spectral positions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2021

Revealing the structure of light pseudoscalar mesons at the electron–ion collider

The questions of how the bulk of the Universe's visible mass emerges and how it is manifest in the existence and properties of hadrons are profound, and probe the heart of strongly interacting matter. Paradoxically, the lightest pseudoscalar mesons appear to be key to a further understanding of the emergent mass and structure mechanisms. These mesons, namely, the pion and kaon, are the Nambu-Goldstone boson modes of quantum chromodynamics (QCD). Unravelling their partonic structure and the interplay between emergent and Higgs-boson mass mechanisms is a common goal of three interdependent approaches - continuum QCD phenomenology, lattice-regularised QCD, and the global analysis of parton distributions - linked to experimental measurements of hadron structure. Experimentally, the anticipated electron-ion collider will enable a revolution in our ability to study pion and kaon structures, accessed by scattering from the 'meson cloud' of the proton through the Sullivan process. With the goal of enabling a suite of measurements that can address these questions, we examine key reactions that identify the critical detector-system requirements needed to map tagged pion and kaon cross-sections over a wide range of kinematics. The excellent prospects for extracting pion structural, functional, and form-factor data are outlined, and similar prospects for kaon structures are discussed in the context of a worldwide programme. Finally, the successful completion of the programme outlined herein will deliver deep, far-reaching insights into the emergence of pions and kaons, their properties, and their role as QCD's Goldstone boson modes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2015

Alpha channeling with high-field launch of lower hybrid waves

Although lower hybrid waves are effective at driving currents in present-day tokamaks, they are expected to interact strongly with high-energy particles in extrapolating to reactors. In the presence of a radial alpha particle birth gradient, this interaction can take the form of wave amplification rather than damping. While it is known that this amplification more easily occurs when launching from the tokamak high-field side, the extent of this amplification has not been made quantitative. Here, by tracing rays launched from the high-field-side of a tokamak, the required radial gradients to achieve amplification are calculated for a temperature and density regime consistent with a hot-ion-mode fusion reactor. These simulations, while valid only in the linear regime of wave amplification, nonetheless illustrate the possibilities for wave amplification using high-field launch of the lower hybrid wave.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Visualizing Size-Dependent Dynamics of CeO 2-δ {100}-Supported CoO x Nanoparticles Under CO 2 Hydrogenation Conditions

Carbon dioxide is a major greenhouse gas. In order to optimize processes focused on its chemical valorization, one needs detailed information about the effects of CO 2 and/or CO 2 /H 2 mixtures on the structure and morphology of metal/oxide catalysts. Here, in this study, the evolution of a catalyst with cobalt supported on CeO 2 -cube nanostructures under CO 2 hydrogenation conditions was investigated by using a set of in situ characterization techniques (X-ray absorption fine structure, X-ray diffraction, diffuse reflectance infrared Fourier transform spectroscopy, and environmental transmission electron microscopy (TEM)). The {100} facets of the ceria support displayed an unexpectedly high stability due to strong interactions with the aggregates of cobalt oxide. A significant influence of interfacial bonding between CoO x and CeO 2-δ {100} is evident through a clear preference in the orientation of CoO x nanoparticles (NPs) with respect to the substrate. For initially reduced Co/CeO 2 -cube nanostructures, a kinetically controlled oxidation of cobalt upon the introduction of CO 2 was observed during the early stages of CO 2 hydrogenation. Environmental TEM revealed the size-dependent morphological behavior of cobalt oxide NPs due to strong interactions with the CeO 2 {100} surface. When the environment was switched from H 2 to a mixture of H 2 and CO 2 at 250 °C, small CoO x NPs (in the largest dimension < 2.5 nm) rapidly transformed from a pyramidal three-dimensional (3D) form to a planar, monatomic layer attached to the concurrently oxidized CeO 2-δ {100} surface. This maximizes the number of sites available for the binding of CO 2 or reaction intermediates. The shape transformation reflected the oxophilic character of cobalt and strong metal–support interactions. The removal of CO 2 from the gas phase led to a reduction of the cobalt oxide NPs by hydrogen and a reversible two-dimensional → 3D transformation. In contrast, no significant morphological changes, apart from further oxidation, were observed for big CoO x NPs (in the largest dimension > 3 nm). These trends are not seen for nanoparticles of noble metals. The observed morphological and structural changes in the small CoO x NPs affected the stability of reaction intermediates and modified the selectivity of the CoO x /CeO 2 catalyst system for methane production.

36 MATERIALS SCIENCE↗