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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

On the simulation of indistinguishable fermions in the many-body Wigner formalism

The simulation of quantum systems consisting of interacting, indistinguishable fermions is an incredible mathematical problem which poses formidable numerical challenges. Many sophisticated methods addressing this problem are available which are based on the many-body Schrödinger formalism. Recently a Monte Carlo technique for the resolution of the many-body Wigner equation has been introduced and successfully applied to the simulation of distinguishable, spinless particles. This numerical approach presents several advantages over other methods. Indeed, it is based on an intuitive formalism in which quantum systems are described in terms of a quasi-distribution function, and highly scalable due to its Monte Carlo nature. In this work, we extend the many-body Wigner Monte Carlo method to the simulation of indistinguishable fermions. To this end, we first show how fermions are incorporated into the Wigner formalism. Then we demonstrate that the Pauli exclusion principle is intrinsic to the formalism. As a matter of fact, a numerical simulation of two strongly interacting fermions (electrons) is performed which clearly shows the appearance of a Fermi (or exchange–correlation) hole in the phase-space, a clear signature of the presence of the Pauli principle. To conclude, we simulate 4, 8 and 16 non-interacting fermions, isolated in a closed box, and show that, as the number of fermions increases, we gradually recover the Fermi–Dirac statistics, a clear proof of the reliability of our proposed method for the treatment of indistinguishable particles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Fabrication of nanotube arrays on commercially pure titanium and their apatite-forming ability in a simulated body fluid

In this study, we investigated self-organized TiO{sub 2} nanotubes that were grown using anodization of commercially pure titanium at 5 V or 10 V in NH{sub 4}F/NaCl electrolyte. The nanotube arrays were annealed at 450 °C for 3 h to convert the amorphous nanotubes to anatase and then they were immersed in simulated body fluid at 37 °C for 0.5, 1, and 14 days. The purpose of this experiment was to evaluate the apatite-formation abilities of anodized Ti nanotubes with different tube diameters and lengths. The nanotubes that formed on the surfaces of Ti were examined using a field emission scanning electron microscope, X-ray diffraction, and X-ray photoelectron spectroscope. When the anodizing potential was increased from 5 V to 10 V, the pore diameter of the nanotube increased from approximately 24–30 nm to 35–53 nm, and the tube length increased from approximately 590 nm to 730 nm. In vitro testing of the heat-treated nanotube arrays indicated that Ca-P formation occurred after only 1 day of immersion in simulated body fluid. This result was particularly apparent in the samples that were anodized at 10 V. It was also found that the thickness of the Ca-P layer increases as the applied potential for anodized c.p. Ti increases. The average thickness of the Ca-P layer on Ti that was anodized at 5 V and 10 V was approximately 170 nm and 190 nm, respectively, after immersion in simulated body fluid for 14 days. - Highlights: • TiO{sub 2} nanotube on Ti surface was formed by anodic oxidation in a NaCl/NH{sub 4}F solution. • TiO{sub 2} layers show a tube length of 590 nm and 730 nm at 5 V and 10 V, respectively. • After soaking in SBF, Ca-P layer completely covered the entire nanotubular surfaces. • The Ca-P layer was thicker on the Ti surface anodized at 10 V.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Boundary driven open quantum many-body systems

In this lecture course I outline a simple paradigm of non-eqjuilibrium quantum statistical physics, namely we shall study quantum lattice systems with local, Hamiltonian (conservative) interactions which are coupled to the environment via incoherent processes only at the system's boundaries. This is arguably the simplest nontrivial context where one can study far from equilibrium steady states and their transport properties. We shall formulate the problem in terms of a many-body Markovian master equation (the so-called Lindblad equation, and some of its extensions, e.g. the Redfield eqaution). The lecture course consists of two main parts: Firstly, and most extensively we shall present canonical Liouville-space many-body formalism, the so-called 'third quantization' and show how it can be implemented to solve bi-linear open many-particle problems, the key peradigmatic examples being the XY spin 1/2 chains or quasi-free bosonic (or harmonic) chains. Secondly, we shall outline several recent approaches on how to approach exactly solvable open quantum interacting many-body problems, such as anisotropic Heisenberg ((XXZ) spin chain or fermionic Hubbard chain.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Ideal quantum glass transitions: Many-body localization without quenched disorder

We explore the possibility for translationally invariant quantum many-body systems to undergo a dynamical glass transition, at which ergodicity and translational invariance break down spontaneously, driven entirely by quantum effects. In contrast to analogous classical systems, where the existence of such an ideal glass transition remains a controversial issue, a genuine phase transition is predicted in the quantum regime. This ideal quantum glass transition can be regarded as a many-body localization transition due to self-generated disorder. Despite their lack of thermalization, these disorder-free quantum glasses do not possess an extensive set of local conserved operators, unlike what is conjectured for many-body localized systems with strong quenched disorder.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Radiative heat transfer in anisotropic many-body systems: Tuning and enhancement

A general formalism for calculating the radiative heat transfer in many body systems with anisotropic component is presented. Our scheme extends the theory of radiative heat transfer in isotropic many body systems to anisotropic cases. In addition, the radiative heating of the particles by the thermal bath is taken into account in our formula. It is shown that the radiative heat exchange (HE) between anisotropic particles and their radiative cooling/heating (RCH) could be enhanced several order of magnitude than that of isotropic particles. Furthermore, we demonstrate that both the HE and RCH can be tuned dramatically by particles relative orientation in many body systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

The Sharma-Parthasarathy stochastic two-body problem

We study the Sharma-Parthasarathy stochastic two-body problem introduced by Sharma and Parthasarathy in [“Dynamics of a stochastically perturbed two-body problem,” Proc. R. Soc. A 463, 979-1003 (2007)]. In particular, we focus on the preservation of some fundamental features of the classical two-body problem like the Hamiltonian structure and first integrals in the stochastic case. Numerical simulations are performed which illustrate the dynamical behaviour of the osculating elements as the semi-major axis, the eccentricity, and the pericenter. We also derive a stochastic version of Gauss’s equations in the planar case.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Finite-temperature many-body perturbation theory for electrons: Algebraic recursive definitions, second-quantized derivation, linked-diagram theorem, general-order algorithms, and grand canonical and canonical ensembles

A comprehensive and detailed account is presented for the finite-temperature many-body perturbation theory for electrons that expands in power series all thermodynamic functions on an equal footing. Algebraic recursions in the style of the Rayleigh–Schrödinger perturbation theory are derived for the grand potential, chemical potential, internal energy, and entropy in the grand canonical ensemble and for the Helmholtz energy, internal energy, and entropy in the canonical ensemble, leading to their sum-over-states analytical formulas at any arbitrary order. For the grand canonical ensemble, these sum-over-states formulas are systematically transformed to sum-over-orbitals reduced analytical formulas by the quantum-field-theoretical techniques of normal-ordered second quantization and Feynman diagrams extended to finite temperature. It is found that the perturbation corrections to energies entering the recursions have to be treated as a nondiagonal matrix, whose off-diagonal elements are generally nonzero within a subspace spanned by degenerate Slater determinants. They give rise to a unique set of linked diagrams—renormalization diagrams—whose resolvent lines are displaced upward, which are distinct from the well-known anomalous diagrams of which one or more resolvent lines are erased. A linked-diagram theorem is introduced that proves the size-consistency of the finite-temperature many-body perturbation theory at any order. General-order algorithms implementing the recursions establish the convergence of the perturbation series toward the finite-temperature full-configuration-interaction limit unless the series diverges. As a result, the normal-ordered Hamiltonian at finite temperature sheds light on the relationship between the finite-temperature Hartree–Fock and first-order many-body perturbation theories.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Can Third-Body Stabilization of Bimolecular Collision Complexes in Cold Molecular Clouds Happen?

For more than half a century, networks of radiative association, dissociative recombination, and bimolecular reactions have been postulated to drive the low-temperature chemistry of cold molecular clouds. Third-body stabilizations of collision complexes have been assumed to be 'irrelevant' due to short lifetime of such complexes. Here, we conduct crossed molecular beam studies of ground state atomic silicon with diacetylene in combination with electronic structure calculations and microcanonical kinetics models operating under cold molecular cloud conditions. Our combined experimental, electronic structure, and microcanonical kinetics modelling investigations provide compelling evidence that three-body collisions of molecular hydrogen with long-lived reaction intermediates accessed through intersystem crossing are prevalent deep inside molecular clouds. This concept might be exportable to reactions involving polycyclic aromatic hydrocarbons thus affording a versatile machinery to complex organics via third-body stabilizations of bimolecular collision complexes deep inside cold molecular clouds.

astrochemistry↗
DOE OSTI2014

Kepler eclipsing binary stars. IV. Precise eclipse times for close binaries and identification of candidate three-body systems

We present a catalog of precise eclipse times and analysis of third-body signals among 1279 close binaries in the latest Kepler Eclipsing Binary Catalog. For these short-period binaries, Kepler's 30 minute exposure time causes significant smearing of light curves. In addition, common astrophysical phenomena such as chromospheric activity, as well as imperfections in the light curve detrending process, can create systematic artifacts that may produce fictitious signals in the eclipse timings. We present a method to measure precise eclipse times in the presence of distorted light curves, such as in contact and near-contact binaries which exhibit continuously changing light levels in and out of eclipse. We identify 236 systems for which we find a timing variation signal compatible with the presence of a third body. These are modeled for the light travel time effect and the basic properties of the third body are derived. This study complements J. A. Orosz et al. (in preparation), which focuses on eclipse timing variations of longer period binaries with flat out-of-eclipse regions. Together, these two papers provide comprehensive eclipse timings for all binaries in the Kepler Eclipsing Binary Catalog, as an ongoing resource freely accessible online to the community.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Discrete restricted four-body problem: Existence of proof of equilibria and reproducibility of periodic orbits

We propose the discrete-time restricted four-body problem (d-R4BP), which approximates the orbits of the restricted four-body problem (R4BP). The d-R4BP is given as a special case of the discrete-time chain regularization of the general N-body problem published in Minesaki. Moreover, we analytically prove that the d-R4BP yields the correct orbits corresponding to the elliptic relative equilibrium solutions of the R4BP when the three primaries form an equilateral triangle at any time. Such orbits include the orbit of a relative equilibrium solution already discovered by Baltagiannis and Papadakis. Until the proof in this work, there has been no discrete analog that preserves the orbits of elliptic relative equilibrium solutions in the R4BP. For a long time interval, the d-R4BP can precisely compute some stable periodic orbits in the Sun–Jupiter–Trojan asteroid–spacecraft system that cannot necessarily be reproduced by other generic integrators.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

RESONANT POST-NEWTONIAN ECCENTRICITY EXCITATION IN HIERARCHICAL THREE-BODY SYSTEMS

We study the secular, hierarchical three-body problem to first-order in a post-Newtonian expansion of general relativity (GR). We expand the first-order post-Newtonian Hamiltonian to leading-order in the ratio of the semi-major axis of the two orbits. In addition to the well-known terms that correspond to the GR precession of the inner and outer orbits, we find a new secular post-Newtonian interaction term that can affect the long-term evolution of the triple. We explore the parameter space for highly inclined and eccentric systems, where the Kozai-Lidov mechanism can produce large-amplitude oscillations in the eccentricities. The standard lore, i.e., that GR effects suppress eccentricity, is only consistent with the parts of phase space where the GR timescales are several orders of magnitude shorter than the secular Newtonian one. In other parts of phase space, however, post-Newtonian corrections combined with the three-body ones can excite eccentricities. In particular, for systems where the GR timescale is comparable to the secular Newtonian timescales, the three-body interactions give rise to a resonant-like eccentricity excitation. Furthermore, for triples with a comparable-mass inner binary, where the eccentric Kozai-Lidov mechanism is suppressed, post-Newtonian corrections can further increase the eccentricity and lead to orbital flips even when the timescale of the former is much longer than the timescale of the secular Kozai-Lidov quadrupole perturbations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Scattering-matrix approach to Casimir-Lifshitz force and heat transfer out of thermal equilibrium between arbitrary bodies

We study the radiative heat transfer and the Casimir-Lifshitz force occurring between two bodies in a system out of thermal equilibrium. We consider bodies of arbitrary shape and dielectric properties, held at two different temperatures and immersed in environmental radiation at a third different temperature. We derive explicit closed-form analytic expressions for the correlations of the electromagnetic field and for the heat transfer and Casimir-Lifshitz force in terms of the bodies' scattering matrices. We then consider some particular cases which we investigate in detail: the atom-surface and the slab-slab configurations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2011

Three-body radio-frequency association of Efimov trimers

We present a theoretical analysis of rf association of Efimov trimers in a two-component Bose gas with short-range interactions. Using the adiabatic hyperspherical formalism to solve the quantum three-body problem, we obtain universal expressions for three-body rf association rates as a function of the s-wave scattering length a>0. We find that the association rates scale as a{sup -2} in the limit of large a, and diverge as a{sup 3}a{sub ad}{sup 3} whenever an Efimov state crosses the atom-dimer threshold (where a{sub ad} stands for the atom-dimer scattering length). Our calculations show that trimer formation rates as large as {approx}10{sup -21} cm{sup 6}/s can be achieved with rf Rabi frequencies on the order of 1 MHz, suggesting that direct rf association is a powerful tool for making and probing few-body quantum states in ultracold atomic gases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Few-body bound complexes in one-dimensional dipolar gases and nondestructive optical detection

We consider dipolar interactions between heteronuclear molecules in low-dimensional geometries. The setup consists of two one-dimensional tubes. We study the stability of possible few-body complexes in the regime of repulsive intratube interaction, where the binding arises from intertube attraction. The stable dimers, trimers, and tetramers are found and we discuss their properties for both bosonic and fermionic molecules. To observe these complexes we propose an optical nondestructive detection scheme that enables in situ observation of the creation and dissociation of the few-body complexes. A detailed description of the expected signal of such measurements is given using the numerically calculated wave functions of the bound states. We also discuss implications on the many-body physics of dipolar systems in tubular geometries, as well as experimental issues related to the external harmonic confinement along the tube and the prospect of applying an in-tube optical lattice to increase the effective dipole strength.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2017

Encoding the structure of many-body localization with matrix product operators

Anderson insulators are noninteracting disordered systems which have localized single-particle eigenstates. The interacting analog of Anderson insulators are the many-body localized (MBL) phases. The spectrum of the many-body eigenstates of an Anderson insulator is efficiently represented as a set of product states over the single-particle modes. Here, we show that product states over matrix product operators of small bond dimension is the corresponding efficient description of the spectrum of an MBL insulator. In this language all of the many-body eigenstates are encoded by matrix product states (i.e., density matrix renormalization group wave functions) consisting of only two sets of low bond dimension matrices per site: the G i matrices corresponding to the local ground state on site i and the E i matrices corresponding to the local excited state. All 2 n eigenstates can be generated from all possible combinations of these sets of matrices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Absence of many-body localization in a single Landau level

The localization properties of the highly excited states of a system projected into a single Landau level are analyzed. An analysis of level spacing ratios for finite size systems shows a clear crossover from extended (GUE) to localized (Poisson) statistics, indicating a many-body localization transition. However, the location of this transition depends very strongly on system size, and appears to scale to infinite disorder in the thermodynamic limit. This result does not depend on the properties of the ground state (such as whether the ground state exhibits topological order), as expected for a transition of highly excited eigenstates. We therefore conclude that many-body localization does not exist in these systems. Our results demonstrate that a subthermodynamic number of single particle effectively extended states is sufficient to cause all many-body states to become extended.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Interpretable machine learning study of the many-body localization transition in disordered quantum Ising spin chains

We apply support vector machine (SVM) to study the phase transition between many-body localized and thermal phases in a disordered quantum Ising chain in a transverse external field. The many-body eigenstate energy E is bounded by a bandwidth W = E max – E min . The transition takes place on a phase diagram spanned by the energy density ε = 2(E – E min )/W and the disorder strength δJ of the spin interaction uniformly distributed within [ – δJ, δJ], formally parallel to the mobility edge in Anderson localization. In our paper, we use the labeled probability density of eigenstate wave functions belonging to the deeply localized and thermal regimes at two different energy densities (ε's) as the training set, i.e., providing labeled data at four corners of the phase diagram. Then we employ the trained SVM to predict the whole phase diagram. The obtained phase boundary qualitatively agrees with previous work using entanglement entropy to characterize these two phases. We further analyze the decision function of the SVM to interpret its physical meaning and find that it is analogous to the inverse participation ratio in configuration space. Our findings demonstrate the ability of the SVM to capture potential quantities that may characterize the many-body localization phase transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Contribution of chiral three-body forces to the monopole component of the effective shell-model Hamiltonian

We present a study of the role played by realistic three-body forces in providing a reliable monopole component of the effective shell-model Hamiltonian. To this end, starting from a nuclear potential built up within the chiral perturbation theory, we derive effective shell-model Hamiltonians with and without the contribution of the three-body potential and compare the results of shell-model calculations with a set of observables that evidence shell-evolution properties. The testing ground of our investigation is nuclei belonging to the fp shell, since the shell-evolution towards shell closures in 48 Ca and 56 Ni provides a paradigm for shell-model Hamiltonians. Furthermore, our analysis shows that only by including contributions of the three-body force is the monopole component of the effective shell-model Hamiltonian then able to reproduce the experimental shell evolution towards and beyond the closure at N = 28.

39 ≤ A ≤ 58↗