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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Stationary bound states of Dirac particles in collapsar fields

It is the first time stationary bound states of elementary spin 1/2 particles that do not decay with time are obtained for a Schwarzschild gravitational field using a self-conjugate Hamiltonian with a flat scalar product in a wide range of gravitational coupling constant. In order to obtain a discrete energy spectrum, we introduce a boundary condition such that the current density of Dirac particles near the “event horizon” is zero.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Reionization during the dark ages from a cosmic axion background

Recently it has been pointed out that a cosmic background of relativistic axion-like particles (ALPs) would be produced by the primordial decays of heavy fields in the post-inflation epoch, contributing to the extra-radiation content in the Universe today. Primordial magnetic fields would trigger conversions of these ALPs into sub-MeV photons during the dark ages. This photon flux would produce an early reionization of the Universe, leaving a significant imprint on the total optical depth to recombination τ. Using the current measurement of τ and the limit on the extra-radiation content Δ N {sub eff} by the Planck experiment we put a strong bound on the ALP-photon conversions. Namely we obtain upper limits on the product of the photon-ALP coupling constant g {sub a} {sub γ} times the magnetic field strength B down to g {sub a} {sub γ} B ∼> 6 × 10{sup −18} GeV{sup −1} nG for ultralight ALPs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

4′-CyanoPLP presents better prospect for the experimental detection of elusive cyclic intermediate radical in the reaction of lysine 5,6-aminomutase

Graphical abstract: The results of our calculations suggest that the reaction of 4′-cyanoPLP with lysine 5,6-aminomutase offers better prospect for the experimental detection of elusive cyclic azacyclopropylcarbinyl radical, which is proposed to be a key intermediate in the reaction of pyridoxal-5′-phosphate dependent radical aminomutases. - Highlights: • 4′-CyanoI{sup ·} is the lowest energy radical intermediate in the reaction of 5,6-LAM. • 4′-CyanoPLP offers good prospect for the experimental observation of elusive I{sup ·}. • The calculated HFCCs would help to characterize 4′-cyanoI{sup ·} by EPR. - Abstract: The results of our calculations suggest that the reaction of 4′-cyanoPLP with lysine 5,6-aminomutase offers better prospect for the experimental detection of elusive cyclic azacyclopropylcarbinyl radical (I{sup ·}), which is proposed to be a key intermediate in the reaction of pyridoxal-5′-phosphate dependent radical aminomutases. We have calculated the corresponding hyperfine coupling constants (HFCCs) for {sup 14}N and {sup 13}C of cyano group using several basis sets to help the characterization of 4′-cyanoI{sup ·}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Testing theories of gravitation using 21-year timing of pulsar binary J1713+0747

We report 21-year timing of one of the most precise pulsars: PSR J1713+0747. Its pulse times of arrival are well modeled by a comprehensive pulsar binary model including its three-dimensional orbit and a noise model that incorporates short- and long-timescale correlated noise such as jitter and red noise. Its timing residuals have weighted root mean square ∼92 ns. The new data set allows us to update and improve previous measurements of the system properties, including the masses of the neutron star (1.31 ± 0.11 M{sub ⊙}) and the companion white dwarf (0.286 ± 0.012 M{sub ⊙}) as well as their parallax distance 1.15 ± 0.03 kpc. We measured the intrinsic change in orbital period, P-dot {sub b}{sup Int}, is −0.20 ± 0.17 ps s{sup −1}, which is not distinguishable from zero. This result, combined with the measured P-dot {sub b}{sup Int} of other pulsars, can place a generic limit on potential changes in the gravitational constant G. We found that G-dot /G is consistent with zero [(−0.6 ± 1.1) × 10{sup −12} yr{sup −1}, 95% confidence] and changes at least a factor of 31 (99.7% confidence) more slowly than the average expansion rate of the universe. This is the best G-dot /G limit from pulsar binary systems. The P-dot {sub b}{sup Int} of pulsar binaries can also place limits on the putative coupling constant for dipole gravitational radiation κ{sub D}=(−0.9±3.3)×10{sup −4} (95% confidence). Finally, the nearly circular orbit of this pulsar binary allows us to constrain statistically the strong-field post-Newtonian parameters Δ, which describes the violation of strong equivalence principle, and α-hat {sub 3}, which describes a breaking of both Lorentz invariance in gravitation and conservation of momentum. We found, at 95% confidence, Δ<0.01 and α-hat {sub 3}<2×10{sup −20} based on PSR J1713+0747.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Measurement of the properties of the Higgs boson at ATLAS

An update on the Higgs boson search in the decay channels H→γγ, H→ZZ{sup (*)}→4l, H→WW{sup (*)}→lvlv, H→τ{sup +}τ{sup −} and H→bb{sup ¯} at the ATLAS detector is presented. Proton-proton collision data recorded by the ATLAS experiment corresponding to an integrated luminosity of up to 25/fb at centre-of-mass energies of 7 and 8 TeV are used for these results. The latest combined and individual channel measurements of the mass, signal strength, spin and parity, coupling constants and Higgs boson production are reported. Results on the measurements of the properties of the Higgs boson are all consistent with the Standard Model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Atomic Systems with Bound States of Fermions in the Schwarzschild, Reissner–Nordström Fields as Candidates for the Role of Dark Matters Particles

After transition from the Dirac equation to the Schrödinger-type relativistic equation with effective potentials of the Schwarzschild and Reissner–Nordström (RN) fields, the existence of the stationary state of fermions with real square integrable radial wave functions is proved. The fermions are localized near the event horizons within the range from zero to several fractions or a few units of the Compton wavelength of a fermion as a function of both the gravitational and electromagnetic coupling constants and the angular and orbital momenta j,l. Electrically neutral atomic-type systems (Schwarzschild and RN collapsars with fermions in bound states) are proposed as particles of dark matter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Time-optimal excitation of maximum quantum coherence: Physical limits and pulse sequences

Here we study the optimum efficiency of the excitation of maximum quantum (MaxQ) coherence using analytical and numerical methods based on optimal control theory. The theoretical limit of the achievable MaxQ amplitude and the minimum time to achieve this limit are explored for a set of model systems consisting of up to five coupled spins. In addition to arbitrary pulse shapes, two simple pulse sequence families of practical interest are considered in the optimizations. Compared to conventional approaches, substantial gains were found both in terms of the achieved MaxQ amplitude and in pulse sequence durations. For a model system, theoretically predicted gains of a factor of three compared to the conventional pulse sequence were experimentally demonstrated. Motivated by the numerical results, also two novel analytical transfer schemes were found: Compared to conventional approaches based on non-selective pulses and delays, double-quantum coherence in two-spin systems can be created twice as fast using isotropic mixing and hard spin-selective pulses. Also it is proved that in a chain of three weakly coupled spins with the same coupling constants, triple-quantum coherence can be created in a time-optimal fashion using so-called geodesic pulses.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Cho decomposition of electrically charged one-half monopole

Recently we have carried out some work on the Cho decomposition of the electrically neutral, finite energy one-half monopole solution of the SU(2) Yang-Mills-Higgs field theory. In this paper, we performed the decomposition of the electrically charged solution using the same numerical procedure. The gauge potential of the one-half dyon solution is decomposed into Abelian and non-Abelian components. The semi-infinite string singularity in the gauge potential is a contribution of the Higgs field and hence topological in nature. The string singularity cannot be cancelled by the non-Abelian components of the gauge potential. However, the string singularity is integrable and the energy of the solution is finite. By decomposing the magnetic fields and covariant derivatives of the Higgs field into three isospin space directions, we are able to provide conclusive evidence that the constructed one-half dyon is certainly a non-BPS solution even in the limit of vanishing Higgs self-coupling constant and electric charge. Furthermore, we found that the time component of gauge function is parallel to the Higgs field in isospace only at large distances, elsewhere they are non-parallel.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Effect of symmetry on electronic properties of nano devices

Nano devices are a promising candidate for new technology nowadays. Great effort has been devoted recently to understand the charge transport at the interfaces in nano junctions and the role of the symmetry in the transport properties of molecular junctions. However, these studies have been largely based on the analysis of the low-bias conductance, which does not allow elucidating the exact influence of the symmetry in both the electronic structure and transport characteristics of the interfaces. In this work we present a theoretical study of the transport properties, and how conductance changes with symmetry. Herein, we investigate a di-thiol benzene (DTB) single-molecule system in which sulphur group from the molecule are anchored to two facing gold electrodes. We have performed first principles calculations of the transport properties of these molecules using a combination of density functional theory and non-equilibrium Green’s function techniques. Our computational results show that for the asymmetric models, the onset of the larger current occurs at current and conductance in the negative bias regime than that in the positive bias regime, and with ΔL increasing the conductance peak shifts towards the lower negative bias so that the I(G)-V curves behave more asymmetric. Further with variation of electrode surface we found that coupling constant for coned shaped electrode is less as compared to 2X2, and 3X3 atom electrodes, so there will be lower potential barrier for canonical electrode in comparison to that of others.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Spectroscopy of a one-dimensional V-shaped quantum well with a point impurity

We consider the one-dimensional Hamiltonian with a V-shaped potential H{sub 0}=(1/2) [−((d{sup 2})/(dx{sup 2}))+|x|], decorated with a point impurity of either δ-type, or local δ{sup ′}-type or even nonlocal δ{sup ′}-type, thus yielding three exactly solvable models. We analyse the behaviour of the change in the energy levels when an interaction of the type −λ δ(x) or −λ δ(x−x{sub 0}) is switched on. In the first case, even energy levels, pertaining to antisymmetric bound states, remain invariant with respect to λ even though odd energy levels, pertaining to symmetric bound states, decrease as λ increases. In the second, all energy levels decrease when the factor λ increases. A similar study has been performed for the so-called nonlocal δ{sup ′} interaction, requiring a coupling constant renormalisation, which implies the replacement of the form factor λ by a renormalised form factor β. In terms of β, odd energy levels are unchanged. However, we show the existence of level crossings: after a fixed value of β the energy of each even level, with the natural exception of the first one, becomes lower than the constant energy of the previous odd level. Finally, we consider an interaction of the type −λδ(x)+μδ{sup ′}(x), and analyse in detail the discrete spectrum of the resulting self-adjoint Hamiltonian.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Degenerate Ising model for atomistic simulation of crystal-melt interfaces

One of the simplest microscopic models for a thermally driven first-order phase transition is an Ising-type lattice system with nearest-neighbour interactions, an external field, and a degeneracy parameter. The underlying lattice and the interaction coupling constant control the anisotropic energy of the phase boundary, the field strength represents the bulk latent heat, and the degeneracy quantifies the difference in communal entropy between the two phases. We simulate the (stochastic) evolution of this minimal model by applying rejection-free canonical and microcanonical Monte Carlo algorithms, and we obtain caloric curves and heat capacity plots for square (2D) and face-centred cubic (3D) lattices with periodic boundary conditions. Since the model admits precise adjustment of bulk latent heat and communal entropy, neither of which affect the interface properties, we are able to tune the crystal nucleation barriers at a fixed degree of undercooling and verify a dimension-dependent scaling expected from classical nucleation theory. We also analyse the equilibrium crystal-melt coexistence in the microcanonical ensemble, where we detect negative heat capacities and find that this phenomenon is more pronounced when the interface is the dominant contributor to the total entropy. The negative branch of the heat capacity appears smooth only when the equilibrium interface-area-to-volume ratio is not constant but varies smoothly with the excitation energy. Finally, we simulate microcanonical crystal nucleation and subsequent relaxation to an equilibrium Wulff shape, demonstrating the model's utility in tracking crystal-melt interfaces at the atomistic level.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Diffuse phase transition in Li{sub 0.12}Na{sub 0.88}NbO{sub 3} piezoelectric ceramics

The morphotropic phase boundary composition viz. lithium sodium niobate, Li{sub 0.12}Na{sub 0.88}NbO{sub 3}, (LNN-12) was prepared by conventional solid state reaction and sintering route. The temperature dependent permittivity response near transition temperature showed a diffused phase transition (DPT). The degree of diffuseness, {gamma}, using the modified Curie-Weiss law, was found to be 1.92, indicative of almost-complete diffuse phase transition. The planar coupling constant k{sub p}, and mechanical quality factor Q{sub m}, measured by resonance-antiresonance method, were 0.17 and 413 respectively. These parameter values make LNN-12 ceramic an attractive candidate for transducers applications.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Quantum corrections in Higgs inflation: the real scalar case

We present a critical discussion of quantum corrections, renormalisation, and the computation of the beta functions and the effective potential in Higgs inflation. In contrast with claims in the literature, we find no evidence for a disagreement between the Jordan and Einstein frames, even at the quantum level. For clarity of discussion we concentrate on the case of a real scalar Higgs. We first review the classical calculation and then discuss the back reaction of gravity. We compute the beta functions for the Higgs quartic coupling and non-minimal coupling constant. Here, the mid-field regime is non-renormalisable, but we are able to give an upper bound on the 1-loop corrections to the effective potential. We show that, in computing the effective potential, the Jordan and Einstein frames are compatible if all mass scales are transformed between the two frames. As such, it is consistent to take a constant cutoff in either the Jordan or Einstein frame, and both prescriptions yield the same result for the effective potential. Our results are extended to the case of a complex scalar Higgs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Review of modern double beta decay experiments

The review of modern experiments on search and studying of double beta decay processes is done. Results of the most sensitive current experiments are discussed. The main attention is paid to EXO-200, KamLAND-Zen, GERDA-I and CUORE-0 experiments. Modern values of T{sub 1/2}(2ν) and best present limits on neutrinoless double beta decay and double beta decay with Majoron emission are presented. Conservative limits on effective mass of a Majorana neutrino (〈m{sub ν}〉 < 0.46 eV) and a coupling constant of Majoron to neutrino (〈g{sub ee}〉 < 1.3 · 10{sup −5}) are obtained. Prospects of search for neutrinoless double beta decay in new experiments with sensitivity to 〈m{sub ν}〉 at the level of ∼ 0.01-0.1 eV are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Two-qudit geometric phase evolution under dephasing

In this work, we study a bipartite system composed by a pair of entangled qudits under dephasing, showing how the dynamics can be decoupled into two main sectors. In one of them, the concurrence of the effective state needed to compute the geometric phase generally decays to zero at asymptotic times. Of course, an evolution restricted to this sector can occur or not, depending on the initial state. Among the possibilities, there is a maximally entangled qutrit state (MES) that undergoes a restricted evolution. In this case, instead of decaying to zero, the concurrence as well as the geometric phase signal a transition to an effective two-qubit MES at asymptotic times. Next, we obtain the analytic solution to the master equation for a general initial two-qutrit state, and identify a whole class of decoherence free states. The associated observables, evolving in the presence of the environment, are robust against decoherence regardless of the coupling constants and operating weights. Among them, we obtained all the MES states which are robust against decoherence. The enhanced stability properties around them provides a strategy to minimize the effects of the environment on fractional topological phases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Competing effective interactions of Dirac electrons in the Spin–Fermion system

Recently discovered advanced materials, such as heavy fermions, frequently exhibit a rich phase diagram suggesting the presence of different competing interactions. A unified description of the origin of these multiple interactions, albeit very important for the comprehension of such materials is, in general not available. It would be therefore very useful to have a simple model where the common source of different interactions could be possibly traced back. In this work we consider a system consisting in a set of localized spins on a square lattice with antiferromagnetic nearest neighbors interactions and itinerant electrons, which are assumed to be Dirac-like and interact with the localized spins through a Kondo magnetic interaction. This system is conveniently described by the Spin–Fermion model, which we use in order to determine the effective interactions among the itinerant electrons. By integrating out the localized degrees of freedom we obtain a set of different interactions, which includes: a BCS-like superconducting term, a Nambu–Jona-Lasinio-like, excitonic term and a spin–spin magnetic term. The resulting phase diagram is investigated by evaluation of the mean-field free-energy as a function of the relevant order parameters. This shows the competition of the above interactions, depending on the temperature, chemical potential and coupling constants. -- Highlights: •Antiferromagnetic Heisenberg–Kondo lattice model with itinerant Dirac fermions. •Integrating out the spins generates competing interactions: BCS-like, excitonic and magnetic. •Novel mechanism of superconductivity from magnetic interactions between the spins and electrons. •Dome-shaped dependence of the temperature on the chemical potential in agreement with pnictides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Electronic Properties and Magnetocaloric Effect of GdNi{sub 4}Si: Ab Initio Calculations, Mean Field Approximation, and Monte Carlo Simulation

We investigated the magnetic properties and magnetocaloric effect of GdNi{sub 4}Si by using a combination of first-principle density functional theory (DFT) calculations and Monte Carlo Simulation. Ab initio calculations show the stability of the ferromagnetic phase in this material. The Monte Carlo simulations combined with ab initio exchange coupling constants as input parameters lead to discuss the transition temperature, critical exponents, and isothermal entropy changes. The measured critical temperature and the isothermal magnetic entropy changes for a field change of 14T in good agreement with the experimental data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Theory of Green’s Functions of Nambu-Goldstone and Higgs Modes in Superconductors

We examine fundamental properties of Green’s functions of Nambu-Goldstone and Higgs modes in superconductors with multiple order parameters. Nambu-Goldstone and Higgs modes are determined once the symmetry of the system and that of the order parameters are specified. Multiple Nambu-Goldstone modes and Higgs modes exist when we have multiple order parameters. The Nambu-Goldstone Green function D(ω, q) has the form 1/(gN(0)){sup 2}⋅(2Δ){sup 2}/(ω{sup 2}−c{sub s}{sup 2}q{sup 2}) with the coupling constant g and c{sub s}=v{sub F}/√3 for small ω and q, with a pole at ω = 0 and q = 0 indicating the existence of a massless mode. It is shown, based on the Ward-Takahashi identity, that the massless mode remains massless in the presence of intraband scattering due to non-magnetic and magnetic impurities. The pole of D(ω, q), however, disappears as ω increases as large as 2Δ: ω∼2Δ. The Green function H(ω, q) of the Higgs mode is given by H(ω,q)∝(2Δ){sup 2}/((2Δ){sup 2}−(1/3)ω{sup 2}+(1/3)c{sub s}{sup 2}q{sup 2}) for small ω and q, and H(ω, q) is proportional to 1/(gN(0)){sup 2}⋅Δ/√((2Δ){sup 2}+c{sub s}{sup 2}q{sup 2}−ω{sup 2}) for ω∼2Δ with the cut in the interval − ω(q) ≤ z ≡ q{sub 0} ≤ ω(q) where ω(q)=√((2Δ){sup 2}+c{sub s}{sup 2}q{sup 2}). The constant part of the action for the Higgs modes is important since it determines the coherence length of a superconductor. There is the case that it has a large eigenvalue, indicating that the large upper critical field H{sub c2} may be realized in a superconductor with multiple order parameters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗