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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Auxiliary-field quantum Monte Carlo method for strongly paired fermions

We solve the zero-temperature unitary Fermi gas problem by incorporating a BCS importance function into the auxiliary-field quantum Monte Carlo method. We demonstrate that this method does not suffer from a sign problem and that it increases the efficiency of standard techniques by many orders of magnitude for strongly paired fermions. We calculate the ground-state energies exactly for unpolarized systems with up to 66 particles on lattices of up to 27{sup 3} sites, obtaining an accurate result for the universal parameter {xi}. We also obtain results for interactions with different effective ranges and find that the energy is consistent with a universal linear dependence on the product of the Fermi momentum and the effective range. This method will have many applications in superfluid cold atom systems and in both electronic and nuclear structures where pairing is important.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Determination of the Strong Coupling Constant and Multijet Cross Section Ratio Measurements

Concepts and results of determinations of the strong coupling in hadron collisions are discussed. A recent {alpha}{sub s} result from the inclusive jet cross section in p{bar p} collisions at {radical}s = 1.96 TeV is presented which is based on perturbative QCD calculations beyond next-to-leading order. Emphasis is put on the consistency of the conceptual approach. Conceptual limitations in the approach of extracting as from cross section data are discussed and how these can be avoided by using observables that are defined as ratios of cross sections. For one such observable, the multijet cross section ratio R{sub 3/2}, preliminary results are presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2011

Gauge invariant coupling of fields to torsion: A string inspired model

In a consistent heterotic string theory, the Kalb-Ramond field, which is the source of space-time torsion, is augmented by Yang-Mills and gravitational Chern-Simons terms. When compactified to 4 dimensions and in the field theory limit, such additional terms give rise to interactions with interesting astrophysical predictions like rotation of plane of polarization for electromagnetic and gravitational waves. On the other hand, if one is also interested in coupling 2- or 3-form (Abelian or non-Abelian) gauge fields to torsion, one needs another class of interaction. In this paper, we shall study this interaction and offer some astrophysical and cosmological predictions. We explicitly calculate the Coleman-Weinberg potential for this theory. We also comment on the possibility of such terms in loop quantum gravity where, if the Barbero-Immirzi parameter is promoted to a field, acts as a source for torsion.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Transverse-momentum-dependent pion structures from lattice QCD: Collins-Soper kernel, soft factor, TMDWF, and TMDPDF

We present the first lattice quantum chromodynamics (QCD) calculation of the pion valence-quark transverse-momentum-dependent parton distribution function (TMDPDF) within the framework of large-momentum effective theory (LaMET). Using correlators fixed in the Coulomb gauge (CG), we computed the quasi-TMD beam function for a pion with a mass of 300 MeV, a fine lattice spacing of 𝑎 =0.06 fm, and multiple large momenta up to 3 GeV. The intrinsic soft functions in the CG approach are extracted from form factors with large momentum transfer, and as a byproduct, we also obtain the corresponding Collins-Soper (CS) kernel. Our determinations of both the soft function and the CS kernel agree with perturbation theory at small transverse separations (𝑏 ⊥ ) between the quarks. At larger 𝑏 ⊥ , the CS kernel remains consistent with recent results obtained using both CG and gauge-invariant TMD correlators in the literature. By combining next-to-leading logarithmic factorization of the quasi-TMD beam function and the soft function, we obtain an 𝑥-dependent pion valence-quark TMDPDF for transverse separations 𝑏 ⊥ ≳1 fm. Interestingly, we find that the 𝑏 ⊥ dependence of the phenomenological parametrizations of TMDPDF for moderate values of 𝑥 are in reasonable agreement with our QCD determinations. In addition, we present results for the transverse-momentum-dependent wave function for a heavier pion with 670 MeV mass.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Interquark Potential with Finite Quark Mass from Lattice QCD

We present an investigation of the interquark potential determined from the qq Bethe-Salpeter (BS) amplitude for heavy quarkonia in lattice QCD. The qq potential at finite quark mass m{sub q} can be calculated from the equal-time and Coulomb gauge BS amplitude through the effective Schroedinger equation. The definition of the potential itself requires information about a kinetic mass of the quark. We then propose a self-consistent determination of the quark kinetic mass on the same footing. To verify the proposed method, we perform quenched lattice QCD simulations with a relativistic heavy-quark action at a lattice cutoff of 1/a{approx_equal}2.1 GeV in a range 1.0{<=}m{sub q}{<=}3.6 GeV. Our numerical results show that the qq potential in the m{sub q}{yields}{infinity} limit is fairly consistent with the conventional one obtained from Wilson loops. The quark-mass dependence of the qq potential and the spin-spin potential are also examined.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Anomalous chiral transport in heavy ion collisions from Anomalous-Viscous Fluid Dynamics

Chiral anomaly is a fundamental aspect of quantum theories with chiral fermions. How such microscopic anomaly manifests itself in a macroscopic many-body system with chiral fermions, is a highly nontrivial question that has recently attracted significant interest. As it turns out, unusual transport currents can be induced by chiral anomaly under suitable conditions in such systems, with the notable example of the Chiral Magnetic Effect (CME) where a vector current (e.g. electric current) is generated along an external magnetic field. A lot of efforts have been made to search for CME in heavy ion collisions, by measuring the charge separation effect induced by the CME transport. A crucial challenge in such effort, is the quantitative prediction for the CME signal. In this paper, we develop the Anomalous-Viscous Fluid Dynamics (AVFD) framework, which implements the anomalous fluid dynamics to describe the evolution of fermion currents in QGP, on top of the neutral bulk background described by the VISH2+1 hydrodynamic simulations for heavy ion collisions. With this new tool, we quantitatively and systematically investigate the dependence of the CME signal to a series of theoretical inputs and associated uncertainties. With realistic estimates of initial conditions and magnetic field lifetime, the predicted CME signal is quantitatively consistent with measured change separation data in 200GeV Au–Au collisions. Based on analysis of Au–Au collisions, we further make predictions for the CME observable to be measured in the planned isobaric (Ru–Ru v.s. Zr–Zr) collision experiment, which could provide a most decisive test of the CME in heavy ion collisions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Tetragonal Kondo Insulator EuCd 2 Sb 2 Discovered via High Pressure High Temperature Synthesis

Abstract Magnetic and electronic properties of quantum materials heavily rely on the crystal structure even in the same chemical compositions. In this study, it is demonstrated that a layered tetragonal EuCd 2 Sb 2 structure can be obtained by treating bulk trigonal EuCd 2 Sb 2 under high pressure (6 GPa) and high temperature (600 °C). Magnetization measurements of the newly formed layered tetragonal EuCd 2 Sb 2 confirm an antiferromagnetic ordering with Neel temperature ( T N ) around 16 K, which is significantly higher than that ( T N ≈ 7 K) of trigonal EuCd 2 Sb 2 , consistent with heat capacity measurements. Moreover, bad metal behavior is observed in the temperature dependence of the electrical resistivity and the resistivity shows a dramatic increase around the Neel temperature. Electronic structure calculations with local density approximation dynamic mean–field theory (LDA+DMFT) show that this material is strongly correlated with well‐formed large magnetic moments, due to Hund's coupling, which is known to dramatically suppress the Kondo scale.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Universal tight binding model for chemical reactions in solution and at surfaces. II. Water

A revised water model intended for use in condensed phase simulations in the framework of the self consistent polarizable ion tight binding theory is constructed. The model is applied to water monomer, dimer, hexamers, ice, and liquid, where it demonstrates good agreement with theoretical results obtained by more accurate methods, such as DFT and CCSD(T), and with experiment. In particular, the temperature dependence of the self diffusion coefficient in liquid water predicted by the model, closely reproduces experimental curves in the temperature interval between 230 K and 350 K. In addition, and in contrast to standard DFT, the model properly orders the relative densities of liquid water and ice. A notable, but inevitable, shortcoming of the model is underestimation of the static dielectric constant by a factor of two. We demonstrate that the description of inter and intramolecular forces embodied in the tight binding approximation in quantum mechanics leads to a number of valuable insights which can be missing from ab initio quantum chemistry and classical force fields. These include a discussion of the origin of the enhanced molecular electric dipole moment in the condensed phases, and a detailed explanation for the increase of coordination number in liquid water as a function of temperature and compared with ice—leading to insights into the anomalous expansion on freezing. The theory holds out the prospect of an understanding of the currently unexplained density maximum of water near the freezing point.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Revealing short- and long-range Li-ion diffusion in Li 2 MnO 3 from finite-temperature dynamical mean field theory

Li 2 MnO 3 is a key component of Li-excess layered cathodes of the form (1 − x), LiMO 2 + x, Li 2 MnO 3 (M = Mn, Ni, Co, …), yet its role in setting Li-ion transport limitations remains under debate. Here, in this study, we combine DFT+U, finite-temperature DFT+DMFT with a continuous-time quantum Monte Carlo impurity solver, and nudged-elastic-band (NEB) calculations to study Li + migration in paramagnetic Li 2 MnO 3 in the presence of a single Li vacancy. Evaluating DMFT total energies along the DFT+U NEB geometries reveals that dynamical correlations strongly renormalize the lowest-barrier processes, reducing the activation energies to E a = 0.18 eV for the shortest-range hop and E a = 0.50 eV for the next-lowest (transport-controlling) step. The 0.18 eV barrier quantitatively reproduces the short-range activation energy from µ+SR, while the 0.50 eV barrier is consistent with the long-range transport scale extracted from ac-impedance measurements. This single-vacancy, paramagnetic DMFT description thus provides a unified interpretation of local and macroscopic probes without invoking clustered vacancy configurations or strong extrinsic disorder, consistent with nearly stoichiometric Li 2 MnO 3 powders. More broadly, our results highlight finite-temperature dynamical correlations as an essential ingredient for predicting ionic migration energetics in correlated oxide electrodes.

Lee, Alex Taekyung [University of Illinois, Chicag↗
DOE OSTI2011

Unifying treatment of nonequilibrium and unstable dynamics of cold bosonic atom system with time-dependent order parameter in Thermo Field Dynamics

Research Highlights: > Cold atoms with time-dependent condensate in nonequilibrium Thermo Field Dynamics. > Coupled equations which describe the temporal evolution of the system are derived. > They are not the naive assemblages of presumable equations, but the self-consistently ones. > Valid even for systems with Landau or dynamical instability, and describing decays. > Transport equation has new collision term that is important in Landau instability. - Abstract: The coupled equations which describe the temporal evolution of the Bose-Einstein condensed system are derived in the framework of nonequilibrium Thermo Field Dynamics. The key element is that they are not the naive assemblages of assumed equations, but are the self-consistent ones derived by appropriate renormalization conditions. While the order parameter is time-dependent, an explicit quasiparticle picture is constructed by a time-dependent expansion. Our formulation is valid even for the system with a unstable condensate, and describes the condensate decay caused by the Landau instability as well as by the dynamical one.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Emission from quantum-dot high-β microcavities: transition from spontaneous emission to lasing and the effects of superradiant emitter coupling

Measured and calculated results are presented for the emission properties of a new class of emitters operating in the cavity quantum electrodynamics regime. The structures are based on high-finesse GaAs/AlAs micropillar cavities, each with an active medium consisting of a layer of InGaAs quantum dots (QDs) and the distinguishing feature of having a substantial fraction of spontaneous emission channeled into one cavity mode (high β-factor). This paper demonstrates that the usual criterion for lasing with a conventional (low β-factor) cavity, that is, a sharp non-linearity in the input–output curve accompanied by noticeable linewidth narrowing, has to be reinforced by the equal-time second-order photon autocorrelation function to confirm lasing. The article also shows that the equal-time second-order photon autocorrelation function is useful for recognizing superradiance, a manifestation of the correlations possible in high-β microcavities operating with QDs. In terms of consolidating the collected data and identifying the physics underlying laser action, both theory and experiment suggest a sole dependence on intracavity photon number. Evidence for this assertion comes from all our measured and calculated data on emission coherence and fluctuation, for devices ranging from light-emitting diodes (LEDs) and cavity-enhanced LEDs to lasers, lying on the same two curves: one for linewidth narrowing versus intracavity photon number and the other for g( 2 )(0) versus intracavity photon number.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Study of Few-Nucleon Systems with the CEBAF Large Acceptance Spectrometer

The study of few-nucleon systems at intermediate energies is an important aspect of the nuclear-physics program carried out by the CLAS Collaboration at Jefferson Laboratory. Our investigations aim at understanding the nuclear dynamics at short distances, the transition from hadronic to partonic description of nuclei, and how nuclei can be described in the framework of Quantum Chromodynamics. Our data on photodisintegration of {sup 3}He and {sup 4}He at beam energies from 0.3 GeV to 1.5 GeV strongly favor theoretical calculations that include three-body mechanisms and indicate significant contributions of these mechanisms at large momentum transfer, especially in the range of photon energies from 0.6 GeV to 0.8 GeV. Our investigations of exclusive and inclusive electron scattering off nuclear targets have yielded the determination of the ratio of pp to pn correlated pairs in {sup 3}He and of the probabilities of short-range correlations in nuclei. We have studied the transition from hadronic to partonic dynamics in nuclear processes by searching for the onset of scaling of the invariant cross sections of photoinduced reactions on few-nucleon systems. Our data are consistent with scaling at momentum transfer as low as 1 (GeV/c){sup 2}.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2011

Two regimes of self-consistent heating of charged particles

An experimental illustration of the transition between two basic transport regimes for wave-particle interaction is reported. A striking feature is that chaos, although present in both regimes, does not need to be invoked to explain the observed behavior. This experimental realization for a theoretical paradigm opens the possibility to check the validity of basic models, as is normally required in physics. Indeed, among seemingly simple problems exhibiting complex behavior is the classical interaction of an electron with electrostatic waves. Launching a low-intensity electron beam in a Traveling Wave Tube (TWT) recently allowed observing the real-world consequences of the richness of the electron trajectory. Here we show that self-consistent effects are nevertheless acting on a modulated test electron beam through the collective excitation of beam modes. The transition between two different particle transport regimes (stochastic diffusion in a set of waves and slow chaos associated to a pulsating separatrix) is directly measured by increasing the amplitude of the excitation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Vacuum Constraints for Realistic Strongly Coupled Heterotic M-Theories

The compactification from the 11-dimensional Horava-Witten orbifold to 5-dimensional heterotic M-theory on a Schoen Calabi-Yau threefold is reviewed, as is the specific S U ( 4 ) vector bundle leading to the &ldquo;heterotic standard model&rdquo; in the observable sector. A generic formalism for a consistent hidden sector gauge bundle, within the context of strongly coupled heterotic M-theory, is presented. Anomaly cancellation and the associated bulk space 5-branes are discussed in this context. The further compactification to a 4-dimensional effective field theory on a linearized BPS double domain wall is then presented to order &kappa; 11 4 / 3 . Specifically, the generic constraints required for anomaly cancellation and by the linearized domain wall solution, restrictions imposed by the vanishing of the D -terms and, finally, the constraints imposed by the necessity for positive, perturbative squared gauge couplings to this order are presented in detail.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Relativistic Feynman-Metropolis-Teller theory for white dwarfs in general relativity

The recent formulation of the relativistic Thomas-Fermi model within the Feynman-Metropolis-Teller theory for compressed atoms is applied to the study of general relativistic white dwarf equilibrium configurations. The equation of state, which takes into account the {beta}-equilibrium, the nuclear and the Coulomb interactions between the nuclei and the surrounding electrons, is obtained as a function of the compression by considering each atom constrained in a Wigner-Seitz cell. The contribution of quantum statistics, weak, nuclear, and electromagnetic interactions is obtained by the determination of the chemical potential of the Wigner-Seitz cell. The further contribution of the general relativistic equilibrium of white dwarf matter is expressed by the simple formula {radical}(g{sub 00}){mu}{sub ws}=constant, which links the chemical potential of the Wigner-Seitz cell {mu}{sub ws} with the general relativistic gravitational potential g{sub 00} at each point of the configuration. The configuration outside each Wigner-Seitz cell is strictly neutral and therefore no global electric field is necessary to warranty the equilibrium of the white dwarf. These equations modify the ones used by Chandrasekhar by taking into due account the Coulomb interaction between the nuclei and the electrons as well as inverse {beta} decay. They also generalize the work of Salpeter by considering a unified self-consistent approach to the Coulomb interaction in each Wigner-Seitz cell. The consequences on the numerical value of the Chandrasekhar-Landau mass limit as well as on the mass-radius relation of {sup 4}He, {sup 12}C, {sup 16}O and {sup 56}Fe white dwarfs are presented. All these effects should be taken into account in processes requiring a precision knowledge of the white dwarf parameters.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Electromagnetic and gravitational interactions from Lagrangian mechanics

Highlights: • Background Maxwell and Einstein fields are universal features of Lagrangian systems. • The Lagrangian function is promoted to a dynamic field. • The Einstein–Maxwell theory is derived from Lagrangian mechanics. Background fields of electromagnetic and gravitational type emerge in the low kinetic energy limit of any regular Lagrangian system and, in particular, in the corresponding limit of any spacetime theory in which the free motion of test particles is described by an unspecified regular Lagrangian. Electromagnetic and gravitational type interactions are therefore a universal feature of low kinetic energy Lagrangian systems. These background interactions can be consistently turned into dynamic Einstein–Maxwell fields by promoting the Lagrangian function to a dynamic scalar field on the tangent bundle of the configuration space. Accordingly, Einstein–Maxwell theory can be deduced from the assumption that the motion of elementary test particles in spacetime is described by Lagrangian mechanics. For higher kinetic energy-type values, identified with the square of the invariant mass of the particle, the Lagrangian induces higher rank interactions that seem however too weak to have been detected in spacetime physics, but which might prove relevant at the Planck scale.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Anomalies, conformal manifolds, and spheres

The two-point function of exactly marginal operators leads to a universal contribution to the trace anomaly in even dimensions. We study aspects of this trace anomaly, emphasizing its interpretation as a sigma model, whose target space $M$ is the space of conformal field theories (a.k.a. the conformal manifold). When the underlying quantum field theory is supersymmetric, this sigma model has to be appropriately supersymmetrized. As examples, we consider in some detail $N$ = (2; 2) and $N$ = (0; 2) supersymmetric theories in d = 2 and $N$ = 2 supersymmetric theories in d = 4. This reasoning leads to new information about the conformal manifolds of these theories, for example, we show that the manifold is K ahler-Hodge and we further argue that it has vanishing K ahler class. For $N$ = (2; 2) theories in d = 2 and N = 2 theories in d = 4 we also show that the relation between the sphere partition function and the K ahler potential of $M$ follows immediately from the appropriate sigma models that we construct. Ultimately, along the way we find several examples of potential trace anomalies that obey the Wess-Zumino consistency conditions, but can be ruled out by a more detailed analysis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗