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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Record High Hydrogen Storage Capacity in the Metal–Organic Framework Ni 2 ( m -dobdc) at Near-Ambient Temperatures

Hydrogen holds promise as a clean alternative automobile fuel, but its on-board storage presents significant challenges due to the low temperatures and/or high pressures required to achieve a sufficient energy density. The opportunity to significantly reduce the required pressure for high density H 2 storage persists for metal-organic frameworks due to their modular structures and large internal surface areas. The measurement of H 2 adsorption in such materials under conditions most relevant to on-board storage is crucial to understanding how these materials would perform in actual applications, although such data have to date been lacking. In the present work, the metal-organic frameworks M 2 (m-dobdc) (M = Co, Ni; m-dobdc 4- = 4,6-dioxido-1,3-benzenedicarboxylate) and the isomeric frameworks M 2 (dobdc) (M = Co, Ni; dobdc 4- = 1,4-dioxido-1,3-benzenedicarboxylate), which are known to have open metal cation sites that strongly interact with H 2 , were evaluated for their usable volumetric H 2 storage capacities over a range of near-ambient temperatures relevant to on-board storage. Based upon adsorption isotherm data, Ni 2 (m-dobdc) was found to be the top-performing physisorptive storage material with a usable volumetric capacity between 100 and 5 bar of 11.0 g/L at 25 °C and 23.0 g/L with a temperature swing between -75 and 25 °C. Additional neutron diffraction and infrared spectroscopy experiments performed with in situ dosing of D 2 or H 2 were used to probe the hydrogen storage properties of these materials under the relevant conditions. Finally, the results provide benchmark characteristics for comparison with future attempts to achieve improved adsorbents for mobile hydrogen storage applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

The Detector Design of the Jefferson Lab EIC

The Electron-Ion Collider (EIC) is envisioned as the next-generation U.S. facility to study quarks and gluons in strongly interacting matter. The broad physics program of the EIC aims to precisely image gluons in nucleons and nuclei and to reveal the origin of the nucleon spin by colliding polarized electrons with polarized protons, polarized light ions, and heavy nuclei at high luminosity. The Jefferson Lab EIC (JLEIC) design is based on a figure-8 shaped ring-ring collider. The luminosity, exceeding 1033cm -2 s -1 in a broad range of the center-of-mass energy and maximum luminosity above 1034cm -2 s -1 , is achieved by high-rate collisions of short small-emittance low-charge bunches made possible by high-energy electron cooling of the ion beam and synchrotron radiation damping of the electron beam. The polarization of light ion species (p, d, 3He) can be easily preserved and manipulated due to the unique figure-8 shape of the collider rings. The focus of this presentation is put on the JLEIC primary detector that has been designed to support the full physics program of the EIC and to provide essentially full acceptance to all fragments produced in collisions. The detector has been fully integrated with the accelerator and extended to the forward electron and hadron regions to achieve exceptional small-angle acceptance and resolution as well as high-precision electron polarimetry and low-Q 2 tagging. The Central Detector design allows for excellent tracking up to small angles and excellent hadron PID resulting and offers a great performance, in particular for semi-inclusive and exclusive measurements. The combination of high luminosity, highly polarized lepton and ion beams, and a full acceptance, multi-purpose detector fully integrated with the accelerator will allow JLEIC a unique opportunity to make breakthroughs in the investigation of the strong interaction.

43 PARTICLE ACCELERATORS↗
DOE OSTI2012

A DIP AFTER THE EARLY EMISSION OF SUPERLUMINOUS SUPERNOVAE: A SIGNATURE OF SHOCK BREAKOUT WITHIN DENSE CIRCUMSTELLAR MEDIA

The origin of superluminous supernovae (SLSNe), especially the source of their huge luminosities, has not been clarified yet. While a strong interaction between SN ejecta and dense circumstellar media (CSM) is a leading scenario, alternative models have been proposed. In this Letter, we suggest new diagnostics to discriminate the strong SN-CSM interaction scenario from the others: a decline in the luminosity ('dip') before the main peak of the light curve (LC). This dip is an unavoidable consequence of having a dense CSM within which the shock breakout occurs. If a dense CSM shell is located far at large radii from the progenitor inside, it takes time for the SN ejecta to reach it and the early LC can be powered by the SN ejecta before the collision. Once the SN ejecta collides with the dense CSM, the electron density and thus the Thomson scattering opacity suddenly increase. Photons are unable to go out of the shock even if there is a source of emission inside, which results in the dip in the LC. This dip is a solid prediction from the strong interaction scenario irrespective of power source for the early emission. Eventually, the forward shock breaks out from within the dense CSM, and the luminosity increases through continuous strong SN-CSM interaction, resulting in an SLSN. The possible dip observed in the hydrogen-poor SLSN, 2006oz, could be the first example of this signature and give support to the SN-CSM interaction as the power source of SLSN 2006oz.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Novel phosphate halides BaMn{sup III}[PO{sub 4}]FCl and BaMn{sup III}[PO{sub 4}]F{sub 2}: Effects of mixed halides on crystal structures and magnetic properties

Two new phosphate halides BaMn{sup III}[PO{sub 4}]FCl (1) and BaMn{sup III}[PO{sub 4}]F{sub 2} (2), have been synthesized under hydrothermal conditions. Structural characterizations show that both new compounds adopt layered structures but with different polyhedral linkages. Introduction of Cl into Compound (1) results in isolated hemimorphic [MnO{sub 4}FCl] octahedra, different from the chain of [MnO{sub 4}F{sub 2}]/[MnO{sub 2}F{sub 4}] octahedra in Compound (2). These compounds have significantly different molecular vibration modes and thermal stabilities. Magnetic measurements reveal that Compound (2) has larger antiferromagnetic interactions than Compound (1), because the former has strong interactions between Mn{sup 3+}-Mn{sup 3+} ions within corner-shared Mn{sup 3+}-octahedral chains whereas the latter only possesses isolated Mn{sup 3+}-octahedra. Both compounds transform to a new orthorhombic compound BaMn{sup II}(PO{sub 4})F (3) after thermal decomposition. - Graphical abstract: The large radius of Cl{sup -} ions makesBaMn{sup III}[PO{sub 4}]FCl to adopt isolated [MnO{sub 4}FCl] rather than corner-sharing octahedra as observed in BaMn{sup III}[PO{sub 4}]F{sub 2}. - Highlights: • Two novel phosphate halides BaMn[PO{sub 4}]FCl and BaMn[PO{sub 4}]F{sub 2} have been prepared. • These new compounds adopt different types of layered structures. • They have different molecular vibration modes and thermal stabilities. • BaMn[PO{sub 4}]FCl has weaker antiferromagnetic interactions than BaMn[PO{sub 4}]F{sub 2}. • The former adopts isolated octahedra whereas the latter adopts octahedral chains.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Modular Assembly of FTO|Chromophore-Catalyst Hierarchical Films Based on Strong Dipole Interactions

Here, we have designed and characterized modular self-assembled hierarchical films containing a molecular catalyst tethered to an anchoring molecule by means of dipole-induced dipole interactions. In order to do so, two new Co III -based molecular catalyst candidates were designed, namely, [Co III L 1 (pyrr) 2 ]ClO 4 (Co1) and [Co III L 2 (pyrr) 2 ]ClO 4 (Co2), where L 1 and L 2 are the respective deprotonated forms of N,N′-[4,5-bis(dodecyloxy)-1,2-phenylene]dipicolinamide and N,N′-[4,5-bis(methoxyethoxy)-1,2-phenylene]dipicolinamide and were characterized by electrochemical, electronic, and film formation properties. Species Co1 and Co2 were deposited onto an anchor molecule such as octylphosphonic acid (OPA) or the chromophoric [Ru II (bpy PO3H ) 2 (bpy C7 )]Cl 2 (Ru) previously attached onto conductive fluorine-doped tin oxide (FTO). Four hierarchical films of the form substrate|anchor-catalyst were obtained, namely, FTO|OPA-Co1, FTO|OPA-Co2, FTO|Ru-Co1, and FTO|Ru-Co2, and the role of dipole-dipole interactions between anchor and catalyst modules was assessed. These newly synthesized hierarchical films were characterized by a host of surface-specific methods that include X-ray photoelectron spectroscopy, ellipsometry, X-ray fluorescence, and water contact angle, thus enabling an unprecedented level of analysis. Compared to the weak C-H van der Waals interactions exhibited by Co1, the presence of alkoxy chains in Co2 ensures stronger dipole-dipole interactions with the alkyl chain of the anchors due to O···H formation. The persistence of their redox properties, which include metal oxidation, and directionality of electron transport were probed suggesting direct relevance to catalytic processes such as water oxidation.

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

Schrödinger operator with a strong varying interaction on a curve in R{sup 2}

In this paper, we study a two-dimensional quantum system governed by the Hamiltonian corresponding to the formal expression −Δ−(α+ω(·))δ(·−Γ), where α > 0, ω(·) is a continuous compactly supported function and Γ is a curve in R{sup 2}. We derive the asymptotics of eigenvalues for α→∞ and analyze consequences of introducing varying delta potential.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Switching between attractive and repulsive Coulomb-interaction-mediated drag in an ambipolar GaAs/AlGaAs bilayer device

We present measurements of Coulomb drag in an ambipolar GaAs/AlGaAs double quantum well structure that can be configured as both an electron-hole bilayer and a hole-hole bilayer, with an insulating barrier of only 10 nm between the two quantum wells. Coulomb drag resistivity is a direct measure of the strength of interlayer particle-particle interactions. We explore the strongly interacting regime of low carrier densities (2D interaction parameter r{sub s} up to 14). Our ambipolar device design allows a comparison between the effects of the attractive electron-hole and repulsive hole-hole interactions and also shows the effects of the different effective masses of electrons and holes in GaAs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Strong Kitaev Interaction in BaCo 2⁢ (AsO 4 ) 2

The inelastic neutron scattering results and their analysis unequivocally point to a dominant Kitaev interaction in the honeycomb-lattice cobaltate BaCo 2 ⁢(AsO 4 ) 2 . Our anisotropic-exchange model closely describes all available neutron scattering data in the material’s field-polarized phase. Furthermore, the density-matrix renormalization group results for our model are in close accord with the unusual double-zigzag magnetic order and the low in-plane saturation field of BaCo 2 ⁢(AsO 4 ) 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Instabilities of bosonic spin currents in optical lattices

We analyze the dynamical and energetic instabilities of spin currents in a system of two-component bosons in an optical lattice, with a particular focus on the Neel state. We consider both the weakly interacting superfluid and the strongly interacting Mott insulating limits as well as the regime near the superfluid-insulator transition and establish the criteria for the onset of these instabilities. We use Bogoliubov theory to treat the weakly interacting superfluid regime. Near the Mott transition, we calculate the stability phase diagram within a variational Gutzwiller wave-function approach. In the deep Mott limit we discuss the emergence of the Heisenberg model and calculate the stability diagram within this model. Though the Bogoliubov theory and the Heisenberg model (appropriate for the deep superfluid and the deep Mott-insulating phase, respectively) predict no dynamical instabilities, we find, interestingly, that between these two limiting cases there is a regime of dynamical instability. This result is relevant for the ongoing experimental efforts to realize a stable Neel-ordered state in multicomponent ultracold bosons.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Loschmidt echo in one-dimensional interacting Bose gases

We explore Loschmidt echo in two regimes of one-dimensional interacting Bose gases: the strongly interacting Tonks-Girardeau (TG) regime, and the weakly interacting mean-field regime. We find that the Loschmidt echo of a TG gas decays as a Gaussian when small (random and time independent) perturbations are added to the Hamiltonian. The exponent is proportional to the number of particles and the magnitude of a small perturbation squared. In the mean-field regime the Loschmidt echo shows richer behavior: it decays faster for larger nonlinearity, and the decay becomes more abrupt as the nonlinearity increases; it can be very sensitive to the particular realization of the noise potential, especially for relatively small nonlinearities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Quantum thermodynamics from the nonequilibrium dynamics of open systems: Energy, heat capacity, and the third law

In a series of papers, we intend to take the perspective of open quantum systems and examine from their nonequilibrium dynamics the conditions when the physical quantities, their relations, and the laws of thermodynamics become well defined and viable for quantum many-body systems. We first describe how an open-system nonequilibrium dynamics (ONEq) approach is different from the closed combined system + environment in a global thermal state (CGTs) setup. Only after the open system equilibrates will it be amenable to conventional thermodynamics descriptions, thus quantum thermodynamics (QTD) comes at the end rather than assumed in the beginning. The linkage between the two comes from the reduced density matrix of ONEq in that stage having the same form as that of the system in the CGTs. We see the open-system approach having the advantage of dealing with nonequilibrium processes as many experiments in the near future will call for. Because it spells out the conditions of QTD's existence, it can also aid us in addressing the basic issues in quantum thermodynamics from first principles in a systematic way. We then study one broad class of open quantum systems where the full nonequilibrium dynamics can be solved exactly, that of the quantum Brownian motion of N strongly coupled harmonic oscillators, interacting strongly with a scalar-field environment. In this paper, we focus on the internal energy, heat capacity, and the third law. We show for this class of physical models, amongst other findings, the extensive property of the internal energy, the positivity of the heat capacity, and the validity of the third law from the perspective of the behavior of the heat capacity toward zero temperature. These conclusions obtained from exact solutions and quantitative analysis clearly disprove claims of negative specific heat in such systems and dispel allegations that in such systems the validity of the third law of thermodynamics relies on quantum entanglement. They are conceptually and factually unrelated issues. As a result, entropy and entanglement will be the main theme of our second paper on this subject matter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Three-Body Correlation Functions and Recombination Rates for Bosons in Three Dimensions and One Dimension

We investigate local three-body correlations for bosonic particles in three dimensions and one dimension as a function of the interaction strength. The three-body correlation function g{sup (3)} is determined by measuring the three-body recombination rate in an ultracold gas of Cs atoms. In three dimensions, we measure the dependence of g{sup (3)} on the gas parameter in a BEC, finding good agreement with the theoretical prediction accounting for beyond-mean-field effects. In one dimension, we observe a reduction of g{sup (3)} by several orders of magnitude upon increasing interactions from the weakly interacting BEC to the strongly interacting Tonks-Girardeau regime, in good agreement with predictions from the Lieb-Liniger model for all strengths of interaction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Unitary limit of two-nucleon interactions in strong magnetic fields

In this study, two-nucleon systems are shown to exhibit large scattering lengths in strong magnetic fields at unphysical quark masses, and the trends toward the physical values indicate that such features may exist in nature. Lattice QCD calculations of the energies of one and two nucleons systems are performed at pion masses of m π ~ 450 and 806 MeV in uniform, time-independent magnetic fields of strength |B| ~ 10 19 – 10 20 Gauss to determine the response of these hadronic systems to large magnetic fields. Fields of this strength may exist inside magnetars and in peripheral relativistic heavy ion collisions, and the unitary behavior at large scattering lengths may have important consequences for these systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗