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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Infrared fixed points of higher-spin fermions in topological semimetals

We determine the fate of interacting fermions described by the Hamiltonian H = p ∙ J in three-dimensional topological semimetals with linear band crossing, where p is momentum and J are the spin- j matrices for half-integer pseudospin j ≥ 3/2. While weak short-range interactions are irrelevant at the crossing point due to the vanishing density of states, weak long-range Coulomb interactions lead to a renormalization of the band structure. Using a self-consistent perturbative renormalization group approach, we show that band crossings of the type p ∙ J are unstable for j ≤ 7/2. Instead, through an intriguing interplay between cubic crystal symmetry, band topology, and interaction effects, the system is attracted to a variety of infrared fixed points. We also unravel several other properties of higher-spin fermions for general j , such as the relation between fermion self-energy and free energy, or the vanishing of the renormalized charge. An O(3) symmetric fixed point composed of equal chirality Weyl fermions is stable for j ≤ 7/2 and very likely so for all j. We then explore the rich fixed point structure for j = 5/2 in detail. We find additional attractive fixed points with enhanced O ( 3 ) symmetry that host both emergent Weyl or massless Dirac fermions, and identify a puzzling, infrared stable, anisotropic fixed point without enhanced symmetry in close analogy to the known case of j = 3/2.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Three-body scattering: ladders and resonances

We report on unitarity constraints on the dynamics of a system of three interacting particles. We reveal how the short-range interaction that describes three-body resonances can be separated from the long-range exchange processes, in particular the one-pion-exchange process. It is demonstrated that unitarity demands a specific functional form of the amplitude with a clear interpretation: the bare three-particle resonances are dressed by the initial- and final-state interaction, in a way that is consistent with the considered long-range forces. We postulate that the resonance kernel admits a factorization in the energy variables of the initial- and the final-state particles. The factorization assumption leads to an algebraic form for the unitarity equations, which is reminiscent of the well-known two-body-unitarity condition and approaches it in the limit of the narrow-resonance approximation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

On the representation of many-body interactions in water

Recent work has shown that the many-body expansion of the interaction energy can be used to develop analytical representations of global potential energy surfaces (PESs) for water. In this study, the role of short- and long-range interactions at different orders is investigated by analyzing water potentials that treat the leading terms of the many-body expansion through implicit (i.e., TTM3-F and TTM4-F PESs) and explicit (i.e., WHBB and MB-pol PESs) representations. It is found that explicit short-range representations of 2-body and 3-body interactions along with a physically correct incorporation of short- and long-range contributions are necessary for an accurate representation of the water interactions from the gas to the condensed phase. Similarly, a complete many-body representation of the dipole moment surface is found to be crucial to reproducing the correct intensities of the infrared spectrum of liquid water.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

A global ab initio potential energy surface for the X{sup 2}A{sup ′} ground state of the Si + OH → SiO + H reaction

We report the first global potential energy surface (PES) for the X{sup 2}A{sup ′} ground electronic state of the Si({sup 3}P) + OH(X{sup 2}Π) → SiO(X{sup 1}Σ{sub g}{sup +}) + H({sup 2}S) reaction. The PES is based on a large number of ab initio energies obtained from multireference configuration interaction calculations plus Davidson correction (MRCI+Q) using basis sets of quadruple zeta quality. Corrections were applied to the ab initio energies in the reactant channel allowing a proper description of long-range interactions between Si({sup 3}P) and OH(X{sup 2}Π). An analytical representation of the global PES has been developed by means of the reproducing kernel Hilbert space method. The reaction is found barrierless. Two minima, corresponding to the SiOH and HSiO isomers, and six saddle points, among which the isomerization transition state, have been characterized on the PES. The vibrational spectra of the SiOH/HSiO radicals have been computed from second-order perturbation theory and quantum dynamics methods. The structural, energetic, and spectroscopic properties of the two isomers are in good agreement with experimental data and previous high quality calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Long-Range And Head-On Beam-Beam Compensation Studies in RHIC With Lessons for the LHC

Long-range as well as head-on beam-beam effects are expected to limit the LHC performance with design parameters. They are are also important consideration for the LHC upgrades. To mitigate long-range effects, current carrying wires parallel to the beam were proposed. Two such wires are installed in RHIC where they allow studying the effect of strong long-range beam-beam effects, as well as the compensation of a single long-range interaction. The tests provide benchmark data for simulations and analytical treatments. Electron lenses were proposed for both RHIC and the LHC to reduce the head-on beam-beam effect. We present the experimental long-range beam-beam program at RHIC and report on head-on compensations studies based on simulations.

43 PARTICLE ACCELERATORS↗
DOE OSTI2014

Momentum sharing in imbalanced Fermi systems

The atomic nucleus is composed of two different kinds of fermions: protons and neutrons. If the protons and neutrons did not interact, the Pauli exclusion principle would force the majority of fermions (usually neutrons) to have a higher average momentum. Our high-energy electron-scattering measurements using C-12, Al-27, Fe-56, and Pb-208 targets show that even in heavy, neutron-rich nuclei, short-range interactions between the fermions form correlated high-momentum neutron-proton pairs. Thus, in neutron-rich nuclei, protons have a greater probability than neutrons to have momentum greater than the Fermi momentum. This finding has implications ranging from nuclear few-body systems to neutron stars and may also be observable experimentally in two-spin-state, ultracold atomic gas systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2011

From cavity QED with quantum gases to optomechanics

We study the nonlinear coupled dynamics of ultra-cold quantum gases trapped in the light field of high Q optical resonators. In the very low temperature limit the quantum nature of both, light and ultra-cold matter play equally important roles. Using the dynamically generated entanglement and properly designed measurements procedures of the light field allows controlled preparation of many-body atomic states as e.g. atom number squeezed states or Schroedinger cat states. If one traps the particles inside the optical cavity, one can create a optical potential, which is a quantized and a dynamical variable itself. In addition it mediates controllable long range interactions. The self-consistent solution for light and particles the includes new classes of quantum many-body states as super-solid states and polaron like excitations. In the deep trap limit the collective coupling of the particles and the field can be tailored to reproduce a wide range of optomechanic Hamiltonians with linear, quadratic or even higher order couplings in an environment very close to zero temperature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Surface tension and disjoining pressure of free-standing smectic films above the bulk smectic-A-isotropic transition temperature

We have carried out a numerical study of both the structural and thermodynamic properties of free-standing smectic films for the case of enhanced pair interaction in the bounding layers. Calculations, based upon the extended McMillan's mean-field theory with anisotropic forces, show that the layer-thinning transitions are characterized by abrupt drops to lower values, both for a disjoining pressure and a fluctuation-induced long-range interaction between the smectic film surfaces, and then continues to increase with a larger positive slope. Reasonable agreement between the theoretically predicted and the experimentally obtained data on the surface tension of the partially fluorinated 5-n-alkyl-2-(4-n-(perfluoroalkyl-metheleneoxy)phenyl) film has been obtained.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2010

Strengthening constraints on Yukawa-type corrections to Newtonian gravity from measuring the Casimir force between a cylinder and a plate

We discuss the possibility of obtaining stronger constraints on non-Newtonian gravity from measuring the gradient of the Casimir force between a cylinder and a plate. The exact analytical expression for the Yukawa-type force in a cylinder-plate configuration is obtained, as well as its asymptotic expansions. The gravitational force is compared with the Casimir force acting between a cylinder and a plate. Numerical computations for the prospective constraints on non-Newtonian gravity are performed for a recently proposed experiment using a microfabricated cylinder attached to a micromachined oscillator. Specifically, it is shown that this experiment is expected to obtain up to 70 times stronger constraints on the Yukawa-type force, compared with the best present day limits, over a wide interaction range from 12.5 to 630 nm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Statistical thermodynamics for a self-gravitating fluid of rotating particles

Systems with long-range interactions (those which decay at large distances as r{sup -l}, with l≥d, where d is the dimensionality of the considered space), like gravitational or charged ones, present difficulties when treated by conventional statistical mechanics perturbation methods. In this work a self-gravitating fluid of rotating spherical particles is considered. The corresponding inter-particle potential model is a long-ranged one and was obtained from the application of the Newtonian limit to the Kerr metric. This potential has been expressed as a finite sum of hard-core Yukawa potentials. This new potential mimics the original long-ranged one and can be treated with conventional statistical mechanics methods. The first-order mean spherical approximation is applied to this potential to obtain the thermodynamic response functions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2022

Investigating Particle-Particle Electrostatic Effects on Charged Lunar Dust Transport via Discrete Element Modeling

NASA surface exploration missions have always seen negative effects of dust including the Apollo missions. The astronaut-witnessed unusual behavior of the dust particles that surround the vehicle after engine cutoff has the potential to have more of an influence on surface systems dust loading than the high velocity lunar rocket plume ejecta in the landing process. The levitation and transport of the fine components of regolith on lunar surface has been linked to electrostatic effects and electric field, but so far there is no accurate model considering the inter-particle electrostatic interactions, especially when the particles are charged by rocket plume or other mechanical interactions due to exploration activities. This study is proposed to investigate the dynamics of charged lunar regolith with a discrete element method (DEM) approach focusing on the inter-particle interactions and contact charge transfer. The grain dynamics is coupled with mechanical and electrical particle interactions, and both short- and long-range interactions between spherical particles are incorporated. A tribo-charging model based on instantaneous collisions between particles is adopted and validated by comparing the simulation results to existing experimental data. Sensitivity analysis is conducted to quantify the effects of initial charge, tribo-charging, and E-field on transport of lunar dust based on JSC-1 simulants with a radius of 50 lm. DEM simulations are also conducted in a near realistic lunar environment with the estimations of initial conditions that shows the difference in position and velocity distributions between charged particles and uncharged particles. The results indicate that the charged dust particles have higher dispersion of position and velocity by several orders of magnitude due to electrostatic effects. This provides a potential explanation for the phenomena of the approximately 30 s dust lofting following Apollo Lunar Module landing.

Lunar dust↗
DOE OSTI2023

Localized High-Concentration Electrolytes Get More Localized

Liquid electrolytes in batteries are typically treated as macroscopically homogeneous ionic transport media, despite having complex chemical composition and atomistic solvation structures, thus leaving a knowledge gap of microstructural characteristics. A promising electrolyte system design has recently been developed with the title of a localized high-concentration electrolyte (LHCE). These electrolytes are a summation of three components – a charge-carrying salt, a solvent that solvates the salt, and a diluent that is sparingly interactive with the salt in terms of ion solvation. This creates the perception of a high-concentration electrolyte (HCE) with high anion-cation interactions that supports a salt-derived, stable solid-electrolyte interphase, while an LHCE improves bulk electrolyte properties, such as ionic conductivity and viscosity, when compared to an HCE. Much trial by error design of this LHCE concept has been supported by simulations to confirm ionic interactions, cycling data to confirm cell stability, and post-mortem analysis to provide evidence of mechanisms. However, a systematic design to extend the capabilities of LHCEs is still to be desired. Here, we analyzed a specific LHCE mixture to dictate the best viable mixture that extends the localization of solvation structures while maintaining viable cell-level capabilities. We seek to observe and understand solvent-to-salt interactions that impact electrolyte performance. These interactions range from single-ion solvation, multidentate interactions (i.e., solvation-driven clustering), to more widespread network-level interactions. With the support of both experimental and computational analysis of different electrolyte features, we have begun a methodology of formulating the most ideal LHCE mixtures for improving the cyclability of high-capacity battery chemistries.

25 ENERGY STORAGE↗
DOE OSTI2018

Strict Convexity of the Free Energy of the Canonical Ensemble Under Decay of Correlations

We consider a one-dimensional lattice system of unbounded, real-valued spins. We allow arbitrary strong, attractive, nearest-neighbor interaction. We show that the free energy of the canonical ensemble (ce) converges uniformly in C{sup 2} to the free energy of the grand ce (gce). The error estimates are quantitative. A direct consequence is that the free energy of the ce is uniformly strictly convex for large systems. Another consequence is a quantitative local Cramér theorem which yields the strict convexity of the coarse-grained Hamiltonian. With small adaptations, the argument could be generalized to systems with finite-range interaction on a graph, as long as the degree of the graph is uniformly bounded and the associated gce has uniform decay of correlations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Possible molecular bound state of two charmed baryons

One-boson-exchange approach is widely used in the study of baryon-baryon interactions. Because of the higher masses, charmed baryons are likely to form molecular bound states. We here investigate this possibility in the {Lambda}{sub c{Lambda}c}(J{sup P} = 0{sup +}, I = 0) system, which may be the lowest mass state composed of two charmed baryons. Since the long-range interactions must play an important role for the formation of possible molecular bound states, we consider the one-pion-exchange potential explicitly and embed the short-range effects into a phenomenological cutoff parameter. As single pion exchange does not occur between two {Lambda}{sub c}'s, couplings to the nearby {Sigma}{sub c{Sigma}c}, {Sigma}{sub c{Sigma}c}* and {Sigma}{sub c}*{Sigma}{sub c}{sup *} channels may be crucial in binding two {Lambda}{sub c}'s. We find that it is possible to have a molecular bound state of two {Lambda}{sub c}'s, where the tensor force plays a crucial role, although the predicted binding energies are sensitive to the cutoff parameter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

A Dipolar Chiral Spin Liquid on the Breathed Kagome Lattice

Continuous control over lattice geometry, when combined with long-range interactions, offers a powerful yet underexplored tool to generate highly frustrated quantum spin systems. By considering long-range dipolar antiferromagnetic interactions on a breathed Kagome lattice, we demonstrate how these tools can be leveraged to stabilize a chiral spin liquid. We support this prediction with large-scale density-matrix renormalization group calculations and explore the surrounding phase diagram, identifying a route to adiabatic preparation via a locally varying magnetic field. At the same time, we identify the relevant low-energy degrees of freedom in each unit cell, providing a complementary language to study the chiral spin liquid. Finally, we carefully analyze its stability and signatures in finite-sized clusters, proposing direct, experimentally viable measurements of the chiral edge mode in both Rydberg atom and ultracold polar molecule arrays.

Machado↗
DOE OSTI2016

CLASH-VLT: testing the nature of gravity with galaxy cluster mass profiles

We use high-precision kinematic and lensing measurements of the total mass profile of the dynamically relaxed galaxy cluster MACS J1206.2-0847 at z=0.44 to estimate the value of the ratio η=Ψ/Φ between the two scalar potentials in the linear perturbed Friedmann-Lemaitre-Robertson-Walker metric. An accurate measurement of this ratio, called anisotropic stress, could show possible, interesting deviations from the predictions of the theory of General Relativity, according to which Ψ should be equal to Φ. Complementary kinematic and lensing mass profiles were derived from exhaustive analyses using the data from the Cluster Lensing And Supernova survey with Hubble (CLASH) and the spectroscopic follow-up with the Very Large Telescope (CLASH-VLT). Whereas the kinematic mass profile tracks only the time-time part of the perturbed metric (i.e. only Φ), the lensing mass profile reflects the contribution of both time-time and space-space components (i.e. the sum Φ+Ψ). We thus express η as a function of the mass profiles and perform our analysis over the radial range 0.5 Mpc≤ r≤ r{sub 200}=1.96 Mpc. Using a spherical Navarro-Frenk-White mass profile, which well fits the data, we obtain η(r{sub 200})=1.01 {sub −0.28}{sup +0.31} at the 68% C.L. We discuss the effect of assuming different functional forms for mass profiles and of the orbit anisotropy in the kinematic reconstruction. Interpreting this result within the well-studied f(R) modified gravity model, the constraint on η translates into an upper bound to the interaction length (inverse of the scalaron mass) smaller than 2 Mpc. This tight constraint on the f(R) interaction range is however substantially relaxed when systematic uncertainties in the analysis are considered. Our analysis highlights the potential of this method to detect deviations from general relativity, while calling for the need of further high-quality data on the total mass distribution of clusters and improved control on systematic effects.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Boosted one dimensional fermionic superfluids on a lattice

We study the effect of a boost (Fermi sea displaced by a finite momentum) on one dimensional systems of lattice fermions with short-ranged interactions. In the absence of a boost such systems with attractive interactions possess algebraic superconducting order. Motivated by physics in higher dimensions, one might naively expect a boost to weaken and ultimately destroy superconductivity. However, we show that for one dimensional systems the effect of the boost can be to strengthen the algebraic superconducting order by making correlation functions fall off more slowly with distance. This phenomenon can manifest in interesting ways, for example, a boost can produce a Luther–Emery phase in a system with both charge and spin gaps by engendering the destruction of the former. - Highlights: • Effect of a boost on the quasi long range (QLR) superconducting (SC) order in 1D is investigated. • Unlike in higher dimensions, SC is strengthened by the boost in 1D. • Even for systems with QLR charge density wave order, a similar effect is observed. • At commensurate filling with umklapp, new phases and phase transitions are produced by the boost.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗