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At least 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

The metallicity’s fundamental dependence on both local and global galactic quantities

ABSTRACT We study the scaling relations between gas-phase metallicity, stellar mass surface density (Σ*), star formation rate surface density (ΣSFR), and molecular gas surface density ($\Sigma _{{\rm H}_2}$) in local star-forming galaxies on scales of a kpc. We employ optical integral field spectroscopy from the Mapping Nearby Galaxies at Apache Point Observatory (MaNGA) survey, and ALMA data for a subset of MaNGA galaxies. We use partial correlation coefficients and Random Forest regression to determine the relative importance of local and global galactic properties in setting the gas-phase metallicity. We find that the local metallicity depends primarily on Σ* (the resolved mass–metallicity relation, rMZR), and has a secondary anticorrelation with ΣSFR (i.e. a spatially resolved version of the ‘Fundamental Metallicity Relation’, rFMR). We find that $\Sigma _{{\rm H}_2}$ is less important than ΣSFR in determining the local metallicity. This result indicates that gas accretion, resulting in local metallicity dilution and local boosting of star formation, is unlikely to be the primary origin of the rFMR. The local metallicity depends also on the global properties of galaxies. We find a strong dependence on the total stellar mass (M*) and a weaker (inverse) dependence on the total SFR. The global metallicity scaling relations, therefore, do not simply stem out of their resolved counterparts; global properties and processes, such as the global gravitational potential well, galaxy-scale winds and global redistribution/mixing of metals, likely contribute to the local metallicity, in addition to local production and retention.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Anomalous ellipticity dependence of the generation of near-threshold harmonics in noble gases

We measured the ellipticity dependence of the harmonic yield of He, Ne, Ar, Kr, and Xe. It is found that the harmonic yield in general decreases monotonically with increasing laser ellipticity but anomalous dependence does occur for each atom for some harmonic orders. Additionally, we found that the degree of anomaly is weakest in helium but is stronger for the heavier atoms. The anomaly also depends on laser intensity. To explain these features, we developed a quantum trajectory Monte Carlo (QTMC) model based on the quantum path integral theory to study high-order harmonic generation (HHG). The model includes the effect of Coulomb potential from the target ion, thus it is capable of calculating near-threshold harmonics quantitatively. This model reveals that the presence of Coulomb potential would generate orbiting trajectories which are responsible for the anomalous ellipticity dependence near the threshold.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2010

Orientation-dependent stopping power of a degenerate electron gas for slow homonuclear dimers

We present a theoretical study on the orientation-dependent retarding force experienced by slow homonuclear dimers moving at arbitrary alignment with the direction of their flight in a three-dimensional degenerate electron gas of metallic densities. The analytical results are derived within the approximate framework of Brueckner for elastic scattering of an electron by a system of two auxiliary potentials of short range. The influence of the screened field of a single constituent of the slowly moving composite projectile on the scattering electron is modeled by an effective phase shift parameter {eta} in the short-range potential in order to characterize the real-constituent system coupling due to displacement. The orientation-dependent closed expressions reveal the dependence of observables on the classical geometry and quantum dynamics. The interplay of wave-interference and multiple scattering in the orientation-dependent friction is analyzed for realistic sets of the input parameters. Comparison with experimental data is made and good agreement is found.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2011

Winding-number dependence of Bose-Einstein condensates in a ring-shaped lattice

We study the winding-number dependence of the stationary states of a Bose-Einstein condensate in a ring-shaped lattice. The system is obtained by confining atoms in a toroidal trap with equally spaced radial barriers. We calculate the energy and angular momentum as functions of the winding number and the barrier height for two quite distinct particle numbers. In both cases we observe two clearly differentiated regimes. For low barriers, metastable vortex states are obtained up to a maximum winding number that depends on the particle number and barrier height. In this regime, the angular momentum and energy show, respectively, almost linear and quadratic dependences on the winding number. For large barrier heights, on the other hand, stationary states are obtained up to a maximum winding number that depends only on the number of lattice sites, whereas energy and angular momentum are shown to be sinusoidal functions of the winding number.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Speed-dependent effects in the near-infrared spectrum of self-colliding H{sub 2}{sup 18}O molecules

The absorption line shape of a given H{sub 2}{sup 18}O vibration-rotation line at 1.38 {mu}m was deeply investigated using a spectroscopic approach based upon the use of a pair of offset-frequency locked extended-cavity diode lasers. This dual-laser apparatus ensures extreme levels of accuracy in controlling and measuring any variation of the laser frequency around a given absolute reference. As a result, high levels of precision and accuracy were reached in the observation of a molecular absorption line shape in the near infrared. A variety of semiclassical models, accounting for Dicke narrowing and speed-dependent effects, were implemented and tested in order to describe the physical situation of self-colliding H{sub 2}{sup 18}O molecules. Our study demonstrates that the molecular confinement alone is unable to explain entirely the departures from the Voigt profile and that the speed dependence of pressure-induced broadening and shift cannot be ignored, even in the case of pure water samples at relatively small pressures. The absorption spectrum was successfully interpolated using the uncorrelated version of the speed-dependent Galatry profile, with a hypergeometric dependence on the absorber speed for both pressure broadening and pressure shift parameters, thus reaching an agreement between theory and experiment at the level of 5x10{sup -5}.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2011

Electron loss from fast heavy ions: Target-scaling dependence

The target dependence for projectile electron loss is investigated using experimental data taken from the literature. Impact energies range from a few tens of eV/u to tens of MeV/u. For energies less than several MeV/u, the target dependences are shown to be very similar, independent of projectile species and charge state. Overall, however, with increasing impact energy the cross-section dependence on the target nuclear charge systematically increases. It is shown that none of the existing cross-section target scaling models reproduce these features. A model, based on Born scaling and including both the antiscreening and screening contributions to projectile electron loss, is developed. With the inclusion of relativistic effects, which increase the contribution from both channels at high energies, and ''target saturation'' effects, which reduce the contribution from the screening term for heavy targets and lower impact energies, this model describes quite reasonably all available experimental data. A simple scaling formula that reproduces the measured atomic number and impact velocity dependences is provided. This formula is applicable for projectile electron loss in collisions with either atomic or molecular targets and for impact energies ranging from a few to tens of MeV/u.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2011

Quantum beat oscillations in the two-color-photoionization continuum of neon and their dependence on the intensity of the ionizing laser pulse

We investigate quantum beat oscillations in the photoionization continuum of Ne atoms that are photoionized by absorption of two photons via a group of excited bound states using ultrashort extreme ultraviolet and infrared laser pulses. The extreme ultraviolet pulse starts an excited-state wave packet that is photoionized by a high-intensity infrared pulse after a variable time delay. We analyze the continuum quantum beats from this two-step photoionization process and their dependence on the photoelectron kinetic energy. We find a pronounced dependence of the quantum beat amplitudes on the photoelectron kinetic energy. The dependence changes significantly with the applied infrared laser-pulse intensity. The experimental results are in good qualitative agreement with a model calculation that is adapted to the experimental situation. It accounts for the intensity dependence of the quantum beat structure through the coupling of the excited-state wave packet to other bound Ne states induced by the high-intensity infrared laser pulse.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Temperature-dependent anisotropies of upper critical field and London penetration depth

In this work, we show on a few examples of one-band materials with spheroidal Fermi surfaces and anisotropic order parameters that anisotropies γ H of the upper critical field and γ λ of the London penetration depth depend on temperature, a feature commonly attributed to multiband superconductors. The parameters γ H and γ λ may have opposite temperature dependences or may change in the same direction depending on the Fermi-surface shape and on the character of the gap nodes. For two-band systems, the behavior of anisotropies is affected by the ratios of bands densities of states, Fermi velocities, anisotropies, and order parameters. Lastly, we investigate in detail the conditions determining the directions of temperature dependences of the two anisotropy factors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

First-principles predictions of temperature-dependent infrared dielectric function of polar materials by including four-phonon scattering and phonon frequency shift

Recently, first-principles calculations based on density functional theory have been widely used to predict the temperature-dependent infrared spectrum of polar materials, but the calculations are usually limited to the harmonic frequency (0 K) and three-phonon scattering damping for the zone-center infrared-active optical phonon modes, and fail to predict the high-temperature infrared optical properties of materials such as sapphire (α–Al 2 O 3 ), GaAs, TiO 2 , etc., due to the neglect of high-order phonon scattering damping and phonon frequency shift. In this work, we implemented first-principles calculations to predict the temperature-dependent infrared dielectric function of polar materials by including four-phonon scattering and phonon frequency shift. The temperature-dependent phonon damping by including three- and four-phonon scattering as well as the phonon frequency shift by including cubic and quartic anharmonicity and the thermal expansion effect are calculated based on anharmonic lattice dynamics method. The infrared dielectric function of α–Al 2 O 3 is parameterized, and then the temperature-dependent infrared optical reflectance is determined. We find that our predictions agree better with the experimental data than the previous density functional theory-based methods. Lastly, this work will help to effectively predict the thermal radiative properties of polar materials at elevated temperature, which is generally difficult to measure, and will enable predictive design of new materials for radiative applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Phonons, Q-dependent Kondo spin fluctuations, and 4f phonon resonance in YbAl 3

4f intermediate valence (IV) compounds are canonical hosts of correlated electron physics and can contribute to our understanding of the larger class of correlated electron materials. In this work, we study the prototype IV compound YbAl 3 which exhibits a nonintegral valence with a moderately heavy fermion ground state and a large Kondo temperature (T K ~500–600K). To better characterize the correlated physics of YbAl 3 , we have measured the phonon and the magnetic excitation spectra on single crystals of this material by time-of-flight inelastic neutron scattering and inelastic x-ray scattering. We have also performed theoretical calculations of the phonon spectra. We present three findings of these measurements. First, we observe that the measured phonon spectra can be described adequately by a calculation based on standard DFT+U density functional theory. The calculated energies, however, are 10% too low compared to the measured energies. This discrepancy may reflect a hardening of the phonons due to dynamic 4f correlations. Second, the low-temperature spin fluctuations on the Kondo energy scale k B T K have a momentum (Q) dependence similar to that seen recently in the IV compound CePd 3 . For that system, the Q dependence has been attributed to particle-hole excitations in a coherent itinerant 4f correlated ground state. We suggest a similar origin for the momentum dependence seen in YbAl 3 . This Q dependence disappears as the temperature is raised towards room temperature and the 4f electron band states become increasingly incoherent. Such a coherent/incoherent crossover is expected to be generic for correlated electron systems. Third, a low-temperature magnetic peak observed in the neutron scattering near 30 meV shows dispersion identical to a particular optic-phonon branch. This 4f/phonon resonance disappears for T≥150K. The phonon spectrum appears to be unaffected by the resonance. We discuss several possibilities for the origin of this unusual excitation, which may be unique to YbAl 3 . We suggest that the excitation may arise from the large amplitude beating of the light Al atoms against the heavy Yb atoms, resulting in a dynamic 4f/3p hybridization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Temperature dependence of London penetration depth anisotropy in superconductors with anisotropic order parameters

Here, we study the effects of anisotropic order parameters on the temperature dependence of London penetration depth anisotropy γ λ ( T ) . After MgB 2 , this dependence is commonly attributed to distinct gaps on multiband Fermi surfaces in superconductors. We have found, however, that the anisotropy parameter may depend on temperature also in one-band materials with anisotropic order parameters Δ ( T , k F ) ; a few such examples are given. We have also found that for different order parameters, the temperature dependence of Δ ( T ) / Δ ( 0 ) can be represented with good accuracy by the interpolation suggested by Einzel, which simplifies considerably the evaluation of γ λ ( T ) . Of particular interest are mixed order parameters of two symmetries for which γ λ ( T ) may go through a maximum for a certain relative weight of two phases. Also, for this case we find that the ratio Δ max ( 0 ) / T c may exceed substantially the weak-coupling limit of 1.76. It, however, does not imply strong coupling; rather, it is due to significantly anisotropic angular variation of Δ .

36 MATERIALS SCIENCE↗
DOE OSTI2021

Temperature effects in spin-dependent Hall currents in an ideal skyrmion gas

The quest of novel reliable and fast performing logic and memory elements in classical and quantum computing requires discoveries of new effects in novel quantum materials. Skyrmions are such magnetic textures where electron scattering can essentially change the shape and location of the skyrmion, which can be used as a memory element being more efficient than domain walls as memory device in classical computing. Because the skyrmion motion is sensitive even to very small currents, we study electron scattering by skyrmions in an ideal skyrmion gas in ferromagnetic environment. In such systems, the direct and Hall currents become spin-dependent. For applications it is important to consider a Hall effect in the whole range of temperatures under the assumption of the skyrmion existence. In this study we find the nonmonotonic temperature dependence of the direct spin-up conductivity, i. e., the conductivity for the current directed along the applied electric field due to the electrons with the spin parallel to the ferromagnetic moment. Such a behavior contradicts the traditional understanding where the temperature only increases the value of the conductivity. The spin-down Hall conductivity is found to be even more dramatic exhibiting the conductivity sign change (i.e., the change in the current direction) with temperature for small skyrmion sizes. The found effects strongly depend on Fermi energy. The most pronounced dependencies take place if the Fermi energy is slightly below and above the bottom of the upper (spin-down) energy band of an ideal 2D electron gas. In addition, we also find that the direct and Hall resistivities, ρ xx and ρ xy , are independent of the exchange integral J for 2J > ε F .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Time-dependent orbital-free density functional theory: Background and Pauli kernel approximations

Time-dependent orbital-free density functional theory (DFT) is an efficient method for calculating the dynamic properties of large-scale quantum systems due to the low computational cost compared to standard time-dependent DFT. In this work, we formalize this method by mapping the real system of interacting fermions onto a fictitious system of noninteracting bosons. The dynamic Pauli potential and associated kernel emerge as key ingredients of time-dependent orbital-free DFT. Using the uniform electron gas as a model system, we derive an approximate frequency-dependent Pauli kernel. Pilot calculations suggest that space nonlocality is a key feature for this kernel. Nonlocal terms arise already in the second-order expansion with respect to unitless frequency and reciprocal space variable ($\frac{ω}{qk_F}$ and $\frac{q}{2k_F}$, respectively). Given the encouraging performance of the proposed kernel, we expect it will lead to more accurate orbital-free DFT simulations of nanoscale systems out of equilibrium. Additionally, the proposed path to formulate nonadiabatic Pauli kernels presents several avenues for further improvements which can be exploited in future work to improve the results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Topological alloy engineering and locally linearized gap dependence on concentration

Alloy engineering is a well-established approach to tune various materials’ properties, but its application to topological alloys remains rudimentary. Of special interest is the band gap, the most defining property of topological materials; however, the concentration dependence of energy gaps in topological alloys remains unknown. Here we systematically investigate the band gap evolution of a topological alloy as a function of alloy concentration, using KZnSb 1-x Bi x as a prototype, based on first-principles calculations. In contrast to the well-established smooth bowing curve for a trivial gap in semiconductor alloys, we found that the topological gap evolves generally with a complex fragmented pattern due to topological phase transitions, and most strikingly a linear dependence on concentration locally in each distinct phase. Such gap linearization is fundamentally rooted in the linear dependence on alloy concentration of spin-orbit coupling (SOC) that predominantly determines a topological gap. Furthermore, we demonstrate topological alloy engineering as a general approach to tune the topological order by modulating the band edge composition and degeneracy through the alloying-induced interplay of SOC and atomic orbital on-site energy, while the linear gap dependence on alloy concentration remains independent of the degree of topological order.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Anisotropic H c 2 , thermodynamic and transport measurements, and pressure dependence of T c in K 2 Cr 3 As 3 single crystals

We present a detailed study of single crystalline K 2 Cr 3 As 3 and analyze its thermodynamic and transport properties, anisotropic H c2 (T), and initial pressure dependence of T c . In zero field, the temperature-dependent resistivity is metallic. Deviation from a linear temperature dependence is evident below 100 K and a T 3 dependence is roughly followed from just above T c (~10K) to ~40K. Anisotropic H c2 (T) data were measured up to 140 kOe with field applied along and perpendicular to the rodlike crystals. For the applied field perpendicular to the rod, H c2 (T) is linear with a slope ~–70 kOe/K. For field applied along the rod, the slope is about –120 kOe/K below 70 kOe. Above 70 kOe, the magnitude of the slope decreases to ~–70 kOe/K. The electronic specific heat coefficient γ, just above T c , is 73 mJ/mol K 2 ; the Debye temperature Θ D is 220 K. As a result, the specific heat jump at the superconducting transition ΔC~2.2γT c . Finally, for hydrostatic pressures up to ~7 kbar, T c decreases under pressure linearly at a rate of –0.034K/kbar.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Strength and deformation of shocked diamond single crystals: Orientation dependence

Understanding and quantifying the strength or elastic limit of diamond single crystals is of considerable scientific and technological importance, and has been a subject of long standing theoretical and experimental interest. To examine the effect of crystalline anisotropy on strength and deformation of shocked diamond single crystals, plate impact experiments were conducted to measure wave profiles at various elastic impact stresses up to ~120 GPa along [110] and [111] crystal orientations. Using laser interferometry, particle velocity histories and shock velocities in the diamond samples were measured and were compared with similar measurements published previously for shock compression along the [100] direction. Wave profiles for all three orientations showed large elastic wave amplitudes followed by time-dependent inelastic deformation. From the measured wave profiles, the elastic limits were determined under well characterized uniaxial strain loading conditions. The measured elastic wave amplitudes for the [110] and [111] orientations were lower for higher elastic impact stress (stress attained for an elastic diamond response), consistent with the result reported previously for [100] diamond. The maximum resolved shear stress (MRSS) on the {111}<110> slip systems was determined for each orientation, revealing significant orientation dependence. The MRSS values for the [100] and [110] orientations (~33 GPa) are 25-30% of theoretical estimates; the MRSS value for the [111] orientation is significantly lower (~23 GPa). Our results demonstrate that the MRSS depends strongly on the stress component normal to the {111} planes or the resolved normal stress (RNS), suggesting that the RNS plays a key role in inhibiting the onset of inelastic deformation. Lower elastic wave amplitudes at higher peak stress and the effect of the RNS are inconsistent with typical dislocation slip mechanisms of inelastic deformation, suggesting instead an inelastic response characteristic of shocked brittle solids. The present results show that the elastic limit (or material strength) of diamond single crystals cannot be described using traditional isotropic approaches, and typical plasticity models cannot be used to describe the inelastic deformation of diamond. Analysis of the measured wave profiles beyond the elastic limit, including characterization of the peak state, requires numerical simulations that incorporate a time-dependent, anisotropic, inelastic deformation response. Development of such a material description for diamond is an important need.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Probing the neutron-proton asymmetry dependence of the nuclear source temperature with light charged particles

The dependence of the nuclear temperature on the source neutron-proton (N/Z) asymmetry was experimentally investigated with the light charged particles (LCPs) generated from thirteen reaction systems with different N/Z asymmetries, 64 Zn on 112 Sn and 70 Zn, 64 Ni on 112,124 Sn, 58,64 Ni, 197 Au, 232 Th at 40 MeV/u. A rather weak N/Z asymmetry dependence of the source temperature was qualitatively inferred from the extracted N/Z asymmetry dependence of the apparent temperature and that of the relative temperature change by the sequential decay effects with the help of the theoretical simulations. Comparing the present result with those from our previous work and other available experimental results, a weak N/Z asymmetry dependence of nuclear temperature is commonly observed in different independent experiments and with different thermometers, except for the result reported by McIntosh et al. [Phys. Lett. B 719, 337 (2013)]. Here, the origin of the difference between the conclusion of the former group and that of McIntosh et al. was addressed, using statistical multifragmentation model (SMM) simulations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Sensitivity of time-dependent density functional theory to initial conditions

Time-dependent density-functional theory is mathematically formulated through nonlinear coupled time-dependent three-dimensional partial differential equations, and it is natural to expect a strong sensitivity of its solutions to variations of the initial conditions, akin to the butterfly effect ubiquitous in classical dynamics. Since the Schrödinger equation for an interacting many-body system is, however, linear and mathematically the exact equations of the density-functional theory reproduce the corresponding one-body properties, it would follow that the Lyapunov exponents are also vanishing within a density-functional theory framework. Whether for realistic implementations of the time-dependent density-functional theory the question of the absence of the butterfly effect and whether the dynamics provided is indeed a predictable theory was never discussed. At the same time, since the time-dependent density-functional theory is a unique tool allowing us to study the nonequilibrium dynamics of strongly interacting many-fermion systems, the question of predictability of this theoretical framework is of paramount importance. Here our analysis, for a number of quantum superfluid many-body systems (unitary Fermi gas, nuclear fission, and heavy-ion collisions) with a classical equivalent number of degrees of freedom O(10 10 ) and larger, suggests that its maximum Lyapunov exponents are negligible for all practical purposes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗