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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2010

Anisotropic superfluidity in the two-species polar Fermi gas

We study the superfluid pairing in a two-species gas of heteronuclear fermionic molecules with equal density. The interplay of the isotropic s-wave interaction and anisotropic long-range dipolar interaction reveals rich physics. We find that the single-particle momentum distribution has a characteristic ellipsoidal shape that can be reasonably represented by a deformation parameter {alpha} defined similarly to the normal phase. Interesting momentum-dependent features of the order parameter are identified. We calculate the critical temperatures of both the singlet and triplet superfluids, suggesting a possible pairing symmetry transition by tuning the s-wave or dipolar interaction strength.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Nonsymmetrized hyperspherical harmonic basis for an A-body system

The use of the hyperspherical harmonic (HH) basis in the description of bound states in an A-body system composed of identical particles is normally preceded by a symmetrization procedure in which the statistic of the system is taken into account. This preliminary step is not strictly necessary; the direct use of the HH basis is possible, even if the basis does not have a well-defined behavior under particle permutations. In fact, after the diagonalization of the Hamiltonian matrix, the eigenvectors reflect the symmetries present in it. They have well-defined symmetry under particle permutation and identification of the physical states is possible, as shown here in specific cases. The problem related to the large degeneration of the basis is circumvented by constructing the Hamiltonian matrix as a sum of products of sparse matrices. This particular representation of the Hamiltonian is well suited for a numerical iterative diagonalization, where only the action of the matrix on a vector is needed. As an example we compute bound states for systems with A=3-6 particles interacting through a short-range central interaction. We also consider the case in which the potential is restricted to act in relative s waves with and without the inclusion of the Coulomb potential. This very simple model predicts results in qualitative good agreement with the experimental data and it represents the first step in a project dedicated to the use of the HH basis to describe bound and low-energy scattering states in light nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Orbital Chern Insulator and Quantum Phase Diagram of a Kagome Electron System with Half-Filled Flat Bands

In this work, we study the quantum phase diagram of electrons on kagome lattice with half-filled lowest flat bands by considering the antiferromagnetic Heisenberg interaction J, and short-range Coulomb interaction V. In the weak J regime, we identify a fully spin-polarized phase. The presence of finite V drives a spontaneous chiral current, which makes the system an orbital Chern insulator by contributing an orbital magnetization. Such an out-of-plane orbital magnetization allows the presence of a Chern insulating phase independent of the spin orientation in contrast to the spin-orbit coupling induced Chern insulator that disappears with inplane ferromagnetism constrained by symmetry. Such a symmetry difference provides a criterion to distinguish the physical origin of topological responses in kagome systems. The orbital Chern insulator is robust against small coupling J. By further increasing J, we find that the ferromagnetic topological phase is suppressed, which first becomes partially polarized and then enters a nonmagnetic phase with spin and charge nematicity. The frustrated flat band allows the spin and Coulomb interaction to play an essential role in determining the quantum phases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1973

Electron avalanche structure determined by random walk theory

A self-consistent avalanche solution which accounts for collective long range Coulomb interactions as well as short range elastic and inelastic collisions between electrons and background atoms is made possible by a random walk technique. Results show that the electric field patterns in the early formation stages of avalanches in helium are close to those obtained from theory based on constant transport coefficients. Regions of maximum and minimum induced electrostatic potential phi are located on the axis of symmetry and within the volume covered by the electron swarm. As formation time continues, however, the region of minimum phi moves to slightly higher radii and the electric field between the extrema becomes somewhat erratic. In the intermediate formation periods the avalanche growth is slightly retarded by the high concentration of ions in the tail which oppose the external electric field. Eventually the formation of ions and electrons in the localized regions of high field strength more than offset this effect causing a very abrupt increase in avalanche growth.

Englert, G. W.↗
NASA NTRS1974

Random walk theory applied to electron avalanche formation

Use of microscopic detail in random walk theory describing the initial formations of a large number of avalanches shows that concomitant electron transport coefficients quickly relax to equilibrium values. This enables the use of random walks having step sizes and probabilities based only on local electric field strengths and densities. A self-consistent avalanche solution which accounts for collective long range Coulomb interactions as well as short range elastic and inelastic collisions between electrons and background atoms is demonstrated for helium. Avalanche growth retardation followed by an abrupt growth augmentation as time proceeds is shown to be associated with the formation of regions of charge density extrema near the avalanche axis and within the axial distance covered by the electron swarm.

Englert, G. W.↗
NASA NTRS1993

Scattering calculations and confining interactions

Most of the research work performed under this grant were concerned with strong interaction processes ranging from kaon-nucleon interaction to proton-nucleus scattering calculations. Research performed under this grant can be categorized into three groups: (1) parametrization of fundamental interactions, (2) development of formal theory, and (3) calculations based upon the first two. Parametrizations of certain fundamental interactions, such as kaon-nucleon interaction, for example, were necessary because kaon-nucleon scattering amplitude was needed to perform kaon-nucleus scattering calculations. It was possible to calculate kaon-nucleon amplitudes from the first principle, but it was unnecessary for the purpose of the project. Similar work was also done for example for anti-protons and anti-nuclei. Formal developments to some extent were also pursued so that consistent calculations can be done.

Buck, Warren W.↗
DOE OSTI2022

Proton Scattering in NOvA Test Beam

The NuMI Off-axis $\nu_e$ Appearance (NOvA) experiment is a two-detector, long baseline, neutrino oscillation experiment, which aims to make a determination of the neutrino mass ordering, the octant of $\theta_{23}$, and measure possible charge-parity (CP) violation. Determining these parameters is a step towards answering some of the fundamental questions about neutrinos. Are neutrinos their own antiparticle? Could neutrinos be responsible for the matter-antimatter asymmetry of the universe? How do neutrinos get their mass? Answering these questions requires precise measurements of the parameters that govern how neutrinos behave, namely the mass squared splittings, mixing angles, and possible CP-violating phase factor in the PNMS matrix. Reaching high precision requires minimizing both statistical and systematic errors. As NOvA continues to accumulate data, the sizes of our statistical errors continue to shrink such that in a couple of years they will be comparable to our systematic errors. NOvA's current systematic errors are dominated by energy and calibration uncertainties. The Test Beam program was initiated to address these uncertainties by assessing the detector response in an environment where more parameters of the incoming particles are known. One of the main goals of the Test Beam program is to garner a better understanding of our systematic errors, particularly in energy measurement and detector response, so that the modeling of these parameters can be improved. I studied protons in the Test Beam Detector with momenta around \unit[1]{GeV/c}, the high end of the momentum range relevant to quasielastic neutrino interactions in NOvA. One question this sample can help to answer is if we correctly simulate the fraction of protons that have an inelastic scattering interaction versus ranging out. If protons inelastically scatter at different rates in our simulation and data, the correction applied to the hadronic system when reconstructing neutrino energy could be inaccurate, since events with inelastic scattering will have less visible energy in the detector. This is particularly important for quasielastic $\nu_\mu$ events, which have the lowest hadronic energy resolution, and therefore give us our best measurements of $\Delta m_{32}^2$ and $\theta_{23}$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Local atomic environment analysis of short and long-range solute-solute interactions in a symmetric tilt grain boundary

We develop an efficient molecular-statics algorithm for predicting local solute-solute interaction effects on grain-boundary segregation. This algorithm is applied to the segregation and interaction of Ni and Cu solutes in a Σ9 (221) symmetric tilt grain boundary in Ag. It is found that the strength of interaction between two solutes directly correlates with the change of average segregation energy in the local atomic environment of a fixed grain-boundary solute. It is shown that local interaction effects at grain boundaries can be either attractive or repulsive wherein long-range attractive effects increase the propensity for solute cluster nucleation. This study underscores the atomic nature of grain-boundary solute segregation and provides a tool that could yield meaningful insight into heterogeneous solute segregation phenomena in polycrystalline alloys beyond their dilute limit.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Theory of thermal conductivity in the disordered electron liquid

We study thermal conductivity in the disordered two-dimensional electron liquid in the presence of long-range Coulomb interactions. We describe a microscopic analysis of the problem using the partition function defined on the Keldysh contour as a starting point. We extend the renormalization group (RG) analysis developed for thermal transport in the disordered Fermi liquid and include scattering processes induced by the long-range Coulomb interaction in the sub-temperature energy range. For the thermal conductivity, unlike for the electrical conductivity, these scattering processes yield a logarithmic correction that may compete with the RG corrections. The interest in this correction arises from the fact that it violates the Wiedemann–Franz law. We checked that the sub-temperature correction to the thermal conductivity is not modified either by the inclusion of Fermi liquid interaction amplitudes or as a result of the RG flow. We therefore expect that the answer obtained for this correction is final. We use the theory to describe thermal transport on the metallic side of the metal–insulator transition in Si MOSFETs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Correlated metals and unconventional superconductivity in rhombohedral trilayer graphene: A renormalization group analysis

Here, motivated by recent experimental observations of correlated metallic phases and superconductivity in rhombohedral trilayer graphene (RTG), we perform an unbiased study of electronic ordering instabilities in hole-doped RTG. Specifically, we focus on electronic states energetically proximate to Van Hove singularities (VHSs), where a large density of states promotes different interaction-induced symmetry-breaking electronic orders. To resolve the Fermi surface near VHSs, we construct a fermionic hot-spot model and demonstrate that a perpendicular electric field can tune different nesting structures of the Fermi surface. Subsequently, we apply a renormalization group analysis to describe the low-energy phase diagrams of our model under both short-range repulsive interactions as well as realistic (long-range) Coulomb interactions. Our analysis shows instabilities towards either intervalley coherent metallic phases or superconducting phases. The dominant pairing channel depends crucially on the nature of Fermi surface nesting—repulsive Coulomb interaction favors spin-singlet d-wave pairing for relatively small displacement field and spin-singlet i-wave pairing for larger displacement field. We argue that the phase diagram of RTG can be well-understood by modeling the realistic Coulomb interaction as the sum of repulsive density-density interaction and ferromagnetic spin-triplet intervalley coherence (IVC) Hund's coupling, while phonon-mediated electronic interactions have a negligible effect on this system, in sharp contrast to twisted graphene multilayers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Different bonding type along each crystallographic axis: Computational study of poly($\textit{p}$-phenylene terephthalamide)

Poly($\textit{p}$-phenylene terephthalamide) (PPTA) exhibits van der Waals (vdW) bonding along its $\textit{a}$ axis, hydrogen bonding along its $\textit{b}$ axis, and covalent bonding along its $\textit{c}$ axis. In this work, we explore the structural and mechanical properties of PPTA using density functional theory with various functionals including LDA, PBE, PBE+rVV10L, SCAN, and SCAN+rVV10, compared with available experiments. The hierarchy of nonempirical semilocal functionals LDA, PBE, and SCAN (not fitted to any multicenter bonded system) includes differing amounts of intermediate-range vdW interaction. rVV10 is the long-range vdW correction. (rVV10L differs from rVV10 only in the value of a range parameter.) Among the tested functionals, SCAN shows the best performance for the lattice parameters of PPTA along the two crystal directions involving vdW or hydrogen-bond interaction. The equilibrium lattice constants obtained by SCAN and PBE+rVV10L are closest to experimental data, while SCAN+rVV10 slightly overbinds the system. We study the mechanical response of PPTA by applying strain along three lattice directions. Due to the inclusion of vdW interaction, SCAN, PBE+rVV10L, and SCAN+rVV10 all exhibit correct bonding strain-energy curves. On the contrary, PBE strongly underestimates the vdW interaction needed to resist uniaxial stretching along the $\textit{a}$ axis. The Young's modulus and yield strength of PPTA are computed and compared with previous results. The experimental values are much smaller than the computed ones, mainly due to the fact that the PPTA fiber samples used for measurements are mechanically weaker than the perfect molecular crystals considered in the simulations. Interestingly, when a compressive uniaxial stress of 25 Kbar is applied along the $\textit{b}$ axis, a structural phase transition, in which the hydrogen bonds reform along one diagonal of the $\textit{ab}$ rectangle, is predicted by SCAN.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Polaron mobility obtained by a variational approach for lattice Fröhlich models

Charge carrier mobility for a class of lattice models with long-range electron–phonon interaction was investigated. The approach for mobility calculation is based on a suitably chosen unitary transformation of the model Hamiltonian which transforms it into the form where the remaining interaction part can be treated as a perturbation. Relevant spectral functions were then obtained using Matsubara Green’s functions technique and charge carrier mobility was evaluated using Kubo’s linear response formula. Numerical results were presented for a wide range of electron–phonon interaction strengths and temperatures in the case of one-dimensional version of the model. The results indicate that the mobility decreases with increasing temperature for all electron–phonon interaction strengths in the investigated range, while longer interaction range leads to more mobile carriers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Effect of Solvent Composition on Non-DLVO Forces and Oriented Attachment of Zinc Oxide Nanoparticles

Oriented attachment (OA) occurs when nanoparticles in solution align their crystallographic axes prior to colliding and subsequently fuse into single crystals. Traditional colloidal theories such as DLVO provide a framework for evaluating OA but fail to capture key particle interactions due to the atomistic details of both the crystal structure and the interfacial solution structure. Using zinc oxide as a model system, we investigated the effect of the solvent on short-ranged and long-ranged particle interactions and the resulting OA mechanism. In situ TEM imaging showed that ZnO nanocrystals in toluene undergo long-range attraction comparable to 1kT at separations of 10 nm and 3kT near particle contact. These observations were rationalized by considering non-DLVO interactions, namely dipole-dipole forces and torques between the polar ZnO nanocrystals. Langevin dynamics simulations showed stronger interactions in toluene compared to methanol solvents, consistent with the experimental results. Concurrently, we performed atomic force microscopy measurements using ZnO-coated probes for the short-ranged interaction. Our data provided valuable insights into another type of non-DLVO interaction, namely the repulsive solvation force. Specifically, the solvation force was stronger in water compared to ethanol and methanol, due to the stronger hydrogen bonding and denser packing of water molecules at the interface. In conclusion, our results highlight the importance of non-DLVO forces in a general framework for understanding and predicting particle aggregation and attachment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Investigating effects of relativistic kinematics, dimensionality, interactions, and short-range correlations on the ratio of quartic over quadratic nuclear symmetry energies

While ample evidence for the so-called empirical parabolic law of the Equation of State (EOS) of isospin asymmetric nuclear matter (ANM) has been obtained in many studies within both non-relativistic and relativistic nuclear many-body theories using various interactions, it has been unclear if there is any fundamental physics reason for the small quartic symmetry energy compared to the quadratic one even as the ANM approaches pure neutron matter. Within both relativistic and non-relativistic Free Fermi Gas (FFG) models in coordinate spaces of arbitrary dimension d with and without considering Short-Range Correlations (SRC) as well as non-linear Relativistic Mean Field (RMF) models, we study effects of relativistic kinematics, dimensionality, interactions and SRC on the ratio Ψ(ρ) of quartic over quadratic symmetry energies in ANM EOSs. We found that the ratio Ψ(ρ) in the FFG model depends strongly on the dimension d. While it is very small already in the normal 3D space, it could be even smaller in spaces with reduced dimensions for sub-systems of particles in heavy-ion reactions and/or whole neutron stars due to constraints, collectivities and/or symmetries. Here, we also found that the ratio Ψ(ρ) could theoretically become very large only at the ultra-relativistic limit far above the density reachable in neutron stars. On the other hand, nuclear interaction directly and/or indirectly through SRC-induced high-momentum nucleons affect significantly the density dependence of Ψ(ρ) compared to the relativistic FFG model prediction. The SRC affects significantly not only the kinetic energy of symmetric nuclear matter but also the ratio Ψ(ρ) while the relativistic corrections are found negligible. The results may help better understand the EOS of dense neutron-rich matter.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Ta-Nb-Mo-W refractory high-entropy alloys: Anomalous ordering behavior and its intriguing electronic origin

From electronic-structure-based thermodynamic linear response, we establish chemical ordering behavior in complex solid solutions versus how Gibbs' space is traversed—applying it on prototype refractory A2 Ta-Nb-Mo-W high-entropy alloys. Near ideal stoichiometry, this alloy has anomalous, intricate chemical ordering tendencies, with long-ranged chemical interactions that produce competing short-range order (SRO) with a crossover to spinodal segregation. This atypical SRO arises from canonical band behavior that, with alloying, creates features near the Fermi surface (well defined even with disorder) that change to simple commensurate SRO with (un)filling of these states. In conclusion, our results reveal how complexity and competing electronic effects control ordering in these alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Coulomb-tail effect of electron-electron interaction on nonsequential double ionization

With the classical ensemble model, we investigate the manifestations of the Coulomb tail of electron-electron interaction in nonsequential double ionization by comparing the results from the short-range electron-electron interaction with those from the Coulombic electron-electron interaction. At the intensity below the recollision threshold, the two-electron momentum distributions in the direction parallel to the laser polarization show an anticorrelated behavior for the Coulombic electron-electron interaction while a correlated behavior for the short-range interaction, which indicates the responsibility of the Coulomb tail of the electron-electron interaction for the experimentally observed anticorrelated emission [Y. Liu, S. Tschuch, A. Rudenko, M. Durr, M. Siegel, U. Morgner, R. Moshammer, and J. Ullrich, Phys. Rev. Lett. 101, 053001 (2008)]. In the transverse direction, for the Coulombic electron-electron interaction, the two electrons exhibit no effect of repulsion at an intensity below the recollision threshold while a strong repulsion effect at an intensity above the threshold, which becomes weaker as the laser intensity further increases. Back analysis shows that the role of the Coulomb tail of electron-electron interaction leads asymmetric energy sharing (AES) to be prevalent at recollision. This AES results in the two electrons leaving the ion at different times or with different initial momenta, which is responsible for the anticorrelated behavior in the parallel direction and the intensity-dependent repulsion effect in the transverse direction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

Constraints on a long-range spin-independent interaction from precision atomic physics

Constraints on a spin-independent interaction by the exchange of a neutral light boson are derived from precision data on the electron anomalous magnetic moment and from atomic spectroscopy of hydrogen and deuterium atoms. The mass range from 1 eV/c{sup 2} to 1 MeV/c{sup 2} is studied, and the effective coupling constant {alpha}{sup '} is allowed below the level of 10{sup -11}-10{sup -13} depending on the value of the boson mass. The mass range corresponds to the Yukawa radius from 0.0002 nm to 20 nm, which covers the distances far above and far below the Bohr radius of the hydrogen atom.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

Bound states of the spin-orbit coupled ultracold atom in a one-dimensional short-range potential

We solve the bound state problem for the Hamiltonian with the spin-orbit and the Raman coupling included. The Hamiltonian is perturbed by a one-dimensional short-range potential V which describes the impurity scattering. In addition to the bound states obtained by considering weak solutions through the Fourier transform or by solving the eigenvalue equation on a suitable domain directly, it is shown that ordinary point-interaction representations of V lead to spin-orbit induced extra states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗