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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Cascade of transitions in twisted and non-twisted graphene layers within the van Hove scenario

Abstract Motivated by measurements of compressibility and STM spectra in twisted bilayer graphene, we analyze the pattern of symmetry breaking for itinerant fermions near a van Hove singularity. Making use of an approximate SU(4) symmetry of the Landau functional, we show that the structure of the spin/isospin order parameter changes with increasing filling via a cascade of transitions. We compute the feedback from different spin/isospin orders on fermions and argue that each order splits the initially 4-fold degenerate van Hove peak in a particular fashion, consistent with the STM data and compressibility measurements, providing a unified interpretation of the cascade of transitions in twisted bilayer graphene. Our results follow from a generic analysis of an SU(4)-symmetric Landau functional and are valid beyond a specific underlying fermionic model. We argue that an analogous van Hove scenario explains the cascade of phase transitions in non-twisted Bernal bilayer and rhombohedral trilayer graphene.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Toxoplasma gondii Manipulates Expression of Host Long Noncoding RNA during Intracellular Infection

Long noncoding RNA (lncRNA) are non-protein-coding transcripts greater than 200 nucleotides that regulate gene expression. The field of transcriptomics is only beginning to understand the role of lncRNA in host defense. Little is known about the role of lncRNA in the response to infection by intracellular pathogens such as Toxoplasma gondii. Using a microarray, we examined the differential expression of 35,923 lncRNAs and 24,881 mRNAs in mouse bone-marrow-derived macrophages during infection with high- and low-virulence T. gondii strains. We found that 1,522 lncRNA molecules were differentially regulated during infection with the high-virulence Type I strain, versus 528 with the less-virulent Type II strain. Of these lncRNAs, 282 were co-regulated with a nearby or overlapping mRNA–including approximately 60 mRNAs with immune-related functions. We validated the microarray for 4 lncRNAs and 4 mRNAs using qRT-PCR. Using deletion strains of T. gondii, we found that the secretory kinase ROP16 controls upregulation of lncRNAs Csf1-lnc and Socs2-lnc, demonstrating that the parasite directly manipulates host lncRNA expression. Given the number of regulated lncRNAs and the magnitude of the expression changes, we hypothesize that these molecules constitute both an additional regulatory layer in the host response to infection and a target for manipulation by T. gondii.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Quantum dust magnetosonic waves with spin and exchange correlation effects

Dust magnetosonic waves are studied in degenerate dusty plasmas with spin and exchange correlation effects. Using the fluid equations of magnetoplasma with quantum corrections due to the Bohm potential, temperature degeneracy, spin magnetization energy, and exchange correlation, a generalized dispersion relation is derived. Spin effects are incorporated via spin force and macroscopic spin magnetization current. The exchange-correlation potentials are used, based on the adiabatic local-density approximation, and can be described as a function of the electron density. For three different values of angle, the dispersion relation is reduced to three different modes under the low frequency magnetohydrodynamic assumptions. It is found that the effects of quantum corrections in the presence of dust concentration significantly modify the dispersive properties of these modes. The results are useful for understanding numerous collective phenomena in quantum plasmas, such as those in compact astrophysical objects (e.g., the cores of white dwarf stars and giant planets) and in plasma-assisted nanotechnology (e.g., quantum diodes, quantum free-electron lasers, etc.)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Thin-film GaN Schottky diodes formed by epitaxial lift-off

The performance of thin-film GaN Schottky diodes fabricated using a large-area epitaxial lift-off (ELO) process is reported in this work. Comparison of the device characteristics before and after lift-off processing reveals that the Schottky barrier height remains unchanged by the liftoff processing and is consistent with expectations based on metal-semiconductor work function differences, with a barrier height of approximately 1 eV obtained for Ni/Au contacts on n− GaN. However, the leakage current in both reverse and low-forward-bias regimes is found to improve significantly after ELO processing. Likewise, the ideality factor of the Schottky diodes also improves after ELO processing, decreasing from n = 1.12–1.18 before ELO to n = 1.04–1.10 after ELO. A possible explanation for the performance improvement obtained for Schottky diodes after substrate removal by ELO processing is the elimination of leakage paths consisting of vertical leakage along threading dislocations coupled with lateral conduction through the underlying n+ buffer layer that is removed in the ELO process. Epitaxial liftoff with GaN may enable significant improvement in device performance and economics for GaN-based electronics and optoelectronics.

Wang, Jingshan↗
DOE OSTI2018

Photoionization of the iodine 3d, 4s, and 4p orbitals in methyl iodide

Ionization of the I 3d, 4s, and 4p orbitals in methyl iodide (CH 3 I) has been studied by using synchrotron radiation to measure the total ion yield and by recording photoelectron spectra with linearly polarized radiation in two polarization orientations. The complete photoelectron spectrum of CH 3 I has been recorded at several photon energies, and bands due to the C 1s, I 3d, 4s, 4p, and 4d atomic-like orbitals, as well as the molecular orbitals, have been observed and assigned. In the vicinity of the I 3d 5/2 and 3d 3/2 ionization thresholds at 626.8 and 638.3 eV, respectively, the ion yield displays weak structure in the pre-edge region due to transitions into valence or Rydberg states, and, at higher energies, a shoulder and a broad maximum attributed to the I 3d 5/2 → εf and the I 3d 3/2 → εf shape resonances, respectively. The absorption spectrum calculated using time-dependent density functional theory, within the Tamm-Dancoff approximation, has allowed assignments to be proposed for the valence and Rydberg states. The Stieltjes imaging technique has been used to simulate the absorption spectrum above the ionization threshold and indicates that transitions into the f(l = 3) continuum channel dominate. This conclusion has been corroborated by a Continuum Multiple Scattering–Xα (CMS–Xα) calculation. The asymmetric broadening of the photoelectron bands associated with the I 3d orbital, due to post collision interaction, is taken into account in our experimental analysis. Experimentally derived photoelectron anisotropy parameters for the I 3d orbital are in good agreement with the theoretical predictions obtained with the CMS–Xα approach. The I 3d shake-up/shake-off photoelectron spectrum has been recorded, and assignments have been proposed for several of the satellites. The M 4 N 45 N 45 and M 5 N 45 N 45 Auger electron yields have been measured, and that for the M 5 N 45 N 45 decay exhibits a maximum due to interchannel coupling between the 3d5/2 and 3d3/2 continua. The photoelectron band associated with the I 4p orbital has an unusual appearance. Based upon previous theoretical work for the analogous Xe 4p orbital, it appears that the initial I 4p -1 hole state decays rapidly through Coster-Kronig and super-Coster-Kronig transitions. This leads to a redistribution of the spectral intensity associated with the I 4p orbital and results in a photoelectron spectrum containing a single structured band together with an extended continuum. Another continuum is observed on the high binding energy side of the peak due to the 4s orbital, and we assign this to super-Coster-Kronig transitions into the 4p -1 4d -1 continuum.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Asymptotic method for constructing a dynamic frequency response of a laser gyro

We consider an equation describing the dynamics of the phase of a beat signal at the output of a ring laser gyro in the presence of an alternating-sign frequency biasing in the form of a superposition of two meanders with different amplitudes and periods. It is assumed that the amplitude of one of the meanders is much larger than that of the other as well as than the half-widths of the static lock-in and the measured difference of eigenfrequencies of a ring resonator. A method is proposed for approximately calculating the beat frequency as a function of the measured difference between the eigenrequencies of the resonator. The result of applying this method represents analytically a recursive algorithm. Its implementation on a computer has made it possible to construct a dynamic frequency (output) response of a laser gyro with a biasing of given form. (laser applications and other topics in quantum electronics)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Low energy peripheral scaling in nucleon–nucleon scattering and uncertainty quantification

We analyze the peripheral structure of the nucleon–nucleon interaction for LAB energies below 350 MeV. To this end we transform the scattering matrix into the impact parameter representation by analyzing the scaled phase shifts (L + 1/2) δ JLS (p) and the scaled mixing parameters (L + 1/2)ϵ JLS (p) in terms of the impact parameter b = (L + 1/2)/p. According to the eikonal approximation, at large angular momentum L these functions should become an universal function of b, independent on L. This allows to discuss in a rather transparent way the role of statistical and systematic uncertainties in the different long range components of the two-body potential. Implications for peripheral waves obtained in chiral perturbation theory interactions to fifth order (N5LO) or from the large body of NN data considered in the SAID partial wave analysis are also drawn from comparing them with other phenomenological high-quality interactions, constructed to fit scattering data as well. Here, we find that both N5LO and SAID peripheral waves disagree more than 5σ with the Granada-2013 statistical analysis, more than 2σ with the 6 statistically equivalent potentials fitting the Granada-2013 database and about 1σ with the historical set of 13 high-quality potentials developed since the 1993 Nijmegen analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

A test of gravity with Pulsar Timing Arrays

Abstract A successful measurement of the Stochastic Gravitational Wave Background (SGWB) in Pulsar Timing Arrays (PTAs) would open up a new window through which to test the predictions of General Relativity (GR). We consider how these measurements might reveal deviations from GR by studying the overlap reduction function — the quantity that in GR is approximated by the Hellings-Downs curve — in some sample modifications of gravity, focusing on the generic prediction of a modified dispersion relation for gravitational waves. We find a distinct signature of such modifications to GR — a shift in the minimum angle of the angular distribution — and demonstrate that this shift is quantitatively sensitive to any change in the phase velocity. In a given modification of gravity, this result can be used, in some regions of parameter space, to distinguish the effect of a modified dispersion relation from that due to the presence of extra polarization modes.

Astronomy & Astrophysics↗
DOE OSTI2016

Testing the lognormality of the galaxy and weak lensing convergence distributions from Dark Energy Survey maps

It is well known that the probability distribution function (PDF) of galaxy density contrast is approximately lognormal; whether the PDF of mass fluctuations derived from weak lensing convergence (kappa_WL) is lognormal is less well established. We derive PDFs of the galaxy and projected matter density distributions via the Counts in Cells (CiC) method. We use maps of galaxies and weak lensing convergence produced from the Dark Energy Survey (DES) Science Verification data over 139 deg^2. We test whether the underlying density contrast is well described by a lognormal distribution for the galaxies, the convergence and their joint PDF. We confirm that the galaxy density contrast distribution is well modeled by a lognormal PDF convolved with Poisson noise at angular scales from 10-40 arcmin (corresponding to physical scales of 3-10 Mpc). We note that as kappa_WL is a weighted sum of the mass fluctuations along the line of sight, its PDF is expected to be only approximately lognormal. We find that the kappa_WL distribution is well modeled by a lognormal PDF convolved with Gaussian shape noise at scales between 10 and 20 arcmin, with a best-fit chi^2/DOF of 1.11 compared to 1.84 for a Gaussian model, corresponding to p-values 0.35 and 0.07 respectively, at a scale of 10 arcmin. Above 20 arcmin a simple Gaussian model is sufficient. The joint PDF is also reasonably fitted by a bivariate lognormal. As a consistency check we compare the variances derived from the lognormal modelling with those directly measured via CiC. Our methods are validated against maps from the MICE Grand Challenge N-body simulation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Scale matters

The applicability of Navier–Stokes equations is limited to near-equilibrium flows in which the gradients of density, velocity and energy are small. Here I propose an extension of the Chapman–Enskog approximation in which the velocity probability distribution function (PDF) is averaged in the coordinate phase space as well as the velocity phase space. I derive a PDF that depends on the gradients and represents a first-order generalization of local thermodynamic equilibrium. I then integrate this PDF to derive a hydrodynamic model. Finally, I discuss the properties of that model and its relation to the discrete equations of computational fluid dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Electronic transport, thermal transport, thermal expansion, and magnetization in the strongly correlated metal LaNi⁢O 3

Perovskite structured LaNiO 3 is a strongly correlated metal with intriguing thermal and magnetic properties. The volume dependence of calculated and measured physical properties can add additional critical information to develop a more in-depth understanding of this strongly correlated phenomenon. Taking advantage of recent single crystal LaNiO 3 growth using the floating-zone method, we have measured the thermal expansion, the magnetostriction, and the pressure dependence of the magnetic susceptibility, which then allows derivation of the Grüneisen parameters γ e = $\frac{dlnN(E_F)}{d lnV}$, γ χ = $\frac{dlnχ}{d lnV}$, as well as of electric and thermal transport properties. We simulate the volume dependence of structural and magnetic properties using Density Functional Theory calculations at the Generalized Gradient Approximation level. A large discrepancy between experimental values and calculated ones suggests that strong correlations are likely to be dynamic in nature. This study also provides a side-by-side comparison of measurements in single crystal and polycrystalline samples of LaNiO 3 to elucidate intrinsic materials properties. A broad hump at high temperatures in the temperature dependence of magnetization found in the single crystal sample of LaNiO 3 has been rationalized by a model that includes the influence of electron correlations on the Landau diamagnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Photoabsorption, photoionization, and Auger processes at the carbon K edge in C H 3 I

The dynamics of photoabsorption, photoionization, and the associated Auger decay have been investigated at the carbon K edge in methyl iodide (CH 3 I) using linearly polarized synchrotron radiation. Ion yield measurements were used to investigate transitions in the pre-edge region due to excitations into either unoccupied valence or Rydberg states. The assignment of these transitions was achieved through comparison with theoretical x-ray absorption spectra calculated using time-dependent density functional theory, within the Tamm-Dancoff approximation. Several of the Rydberg states belonging to series converging onto the C1s ionization limit exhibit significant vibrational structure that is also interpreted using theoretical calculations. The C1s in CH 3 I photoelectron spectrum was measured, and the observed vibrational structure was assigned with the aid of theoretical predictions. Polarization dependent, resonantly excited, valence shell photoelectron spectra were recorded at photon energies coinciding with the C1s → σ*, C1s → 6sa1 and C1s → 6pe transitions in CH 3 I , thereby allowing photoelectron angular distributions to be determined. The nonresonantly excited C(KVV) Auger electron spectrum was measured and some of the features observed at high kinetic energies were attributed to transitions into valence orbitals possessing significant iodine character. The contributions of participator and spectator Auger decay to the resonantly excited photoelectron spectra have been assessed. The influence of participator decay appears minor whereas spectator decay results in the enhanced population of satellite states.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Vibronic States and Their Effect on the Temperature and Strain Dependence of Silicon-Vacancy Qubits in 4$\textit{H}$-SiC

Silicon-vacancy qubits in silicon carbide ( Si C ) are emerging tools in quantum-technology applications due to their excellent optical and spin properties. In this paper, we explore the effect of temperature and strain on these properties by focusing on the two silicon-vacancy qubits, V1 and V2, in 4$\textit{H}$-SiC. We apply density-functional theory beyond the Born-Oppenheimer approximation to describe the temperature-dependent mixing of electronic excited states assisted by phonons. We obtain a polaronic gap of around 5 and 22 meV for the V1 and V2 centers, respectively, which results in a significant difference in the temperature-dependent dephasing and zero-field splitting of the excited states, which explains recent experimental findings. Finally, we also compute how crystal deformations affect the zero-phonon line of these emitters. Our predictions are important ingredients in any quantum applications of these qubits sensitive to these effects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Localization of phonons in mass-disordered alloys: A typical medium dynamical cluster approach

The effect of disorder on lattice vibrational modes has been a topic of interest for several decades. In this article, we employ a Green's function based approach, namely, the dynamical cluster approximation (DCA), to investigate phonons in mass-disordered systems. Detailed benchmarks with previous exact calculations are used to validate the method in a wide parameter space. An extension of the method, namely, the typical medium DCA (TMDCA), is used to study Anderson localization of phonons in three dimensions. We show that, for binary isotopic disorder, lighter impurities induce localized modes beyond the bandwidth of the host system, while heavier impurities lead to a partial localization of the low-frequency acoustic modes. For a uniform (box) distribution of masses, the physical spectrum is shown to develop long tails comprising mostly localized modes. The mobility edge separating extended and localized modes, obtained through the TMDCA, agrees well with results from the transfer matrix method. A reentrance behavior of the mobility edge with increasing disorder is found that is similar to, but somewhat more pronounced than, the behavior in disordered electronic systems. Our work establishes a computational approach, which recovers the thermodynamic limit, is versatile and computationally inexpensive, to investigate lattice vibrations in disordered lattice systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Measurements of mass-dependent azimuthal anisotropy in central p + Au, d + Au, and He 3 + Au collisions at s N N = 200 GeV

Here, we present measurements of the transverse-momentum dependence of elliptic flow v 2 for identified pions and (anti)protons at midrapidity (|η| < 0.35), in 0%–5% central p+Au and 3 He+Au collisions at √ s NN = 200 GeV. When taken together with previously published measurements in d + Au collisions at √ s NN = 200 GeV, the results cover a broad range of small-collision-system multiplicities and intrinsic initial geometries. We observe a clear mass-dependent splitting of v 2 (p T ) in d + Au and 3 He + Au collisions, just as in large nucleus-nucleus (A + A) collisions, and a smaller splitting in p + Au collisions. Both hydrodynamic and transport model calculations successfully describe the data at low p T (< 1.5GeV/c), but fail to describe various features at higher p T . In all systems, the v 2 values follow an approximate quark-number scaling as a function of the hadron transverse kinetic energy per constituent quark (KE T /n q ), which was also seen previously in A + A collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Deep-inelastic and quasielastic electron scattering from A = 3 nuclei

We perform a combined analysis of inclusive electron scattering data from $A=3$ nuclei in the deep-inelastic and quasielastic scattering regions, using Monte Carlo analysis methods and the nuclear weak binding approximation to establish the range over which the data can be described within the same theoretical framework. Comparison with quasielastic $^3$He cross sections from SLAC and Jefferson Lab suggests that most features of the $x \gtrsim 1$ data can be reasonably well described in the impulse approximation with finite-$Q^2$ nuclear smearing functions for momentum transfers $Q^2 \gtrsim 1$~GeV$^2$. For the DIS region, we analyze the recent $^3$He to deuterium cross section ratio from the Jefferson Lab E03-103 experiment to explore the possible isospin dependence of the nuclear effects. We discuss the implications of this for the MARATHON experiment, and outline how a Bayesian analysis of $^3$He, $^3$H and deuterium data can robustly determine the free neutron structure function.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Real-space local self-motion of protonated and deuterated water

Here, we report on the self-part of the Van Hove correlation function, the correlation function describing the dynamics of a single molecule, of water and deuterated water. The correlation function is determined by transforming inelastic scattering spectra of neutrons or x rays over a wide range of momentum transfer Q and energy transfer E to space R and time t. The short-range diffusivity is estimated from the Van Hove correlation function in the framework of the Gaussian approximation. The diffusivity has been found to be different from the long-range macroscopic diffusivity, providing information about local atomic dynamics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗