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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

On the origin of hot diamagnetic cavities near the earth's bow shock

The origin of hot diamagnetic cavities (HDCs) observed occasionally upstream from the earth's bow shock is investigated by examining the results of November 16, 1977, observation, when four of these events occurred on a single day, as well as plasma and field data from that day. The results suggest that HDCs may form as a result of an unusually strong interaction between shock-reflected ions and the incoming solar wind. It is proposed that this interaction stems from a temporary and localized reflection of a larger-than-normal fraction of the incident ions, which is stimulated by sudden changes in the upstream field orientation; the consequences of such a temporary overreflection are found to be consistent with many of the observed features of HDCs, including the strong slowing, deflection, and heating of the flow, as well as the localization, internal recoveries, and occasional formation upstream from the shock itself.

Thomsen, M. F.↗
NASA NTRS1990

MS 0129.2 - 2237 - Interacting galaxies at z = 0.11

The X-ray source MS 0129.2 - 2237 is positionally coincident with an interacting system of galaxies. This paper presents the results of a spectroscopic and photometric investigation of the system, which show that a Seyfert 1.5, a Seyfert 2 nucleus or H II region, or a starburst galaxy, a normal galaxy plus possibly another galaxy where star-forming activity is taking place are strongly interacting. The redshift of the system is z = 0.11. The maximum projected diameter of the envelope common to the four spectroscopically distinct objects is about 98 kpc (H0 = 50 km/s M/pc and q0 = 0.5). The isolated environment in which the system lies suggests that these results present evidence of the final stage of the life of a compact group of galaxies where members are merging into an elliptical galaxy.

Maccagni, Dario↗
NASA NTRS2001

A Model for Macromolecular Crystallization

Macromolecular crystallization is a complex process. involving a system which typically has 5 or more components (macromolecule, water, buffer + counter ion, and precipitant). Whereas small molecules have only several well defined contacts in the crystal lattice, macromolecules generally have 10's or even 100's of contacts between molecules. These can range from hydrogen bonds (direct or water-mediated), through van der Waals, hydrophobic, salt bridges, and ion-mediated contacts. The latter interactions are stronger and require some specificity in the molecular alignment, while the others are weaker, more prevalent, and more promiscuous, i.e., can often be readily broken and reformed between other sites. Formation of a consistent, ordered, 3D structure may be impossible in the absence of any or presence of too many strong interactions. Further complicating the process is the inherent structural asymmetry of monomeric single chain macromolecules. The process of crystal nucleation and growth involves the ordered assembly of growth units into a defined 3D lattice. We suggest that for many macromolecules, particularly those that are monomeric, this involves a preliminary solution-phase assembly process into a growth unit having some symmetry prior to addition to the lattice, recapitulating the initial stages of the nucleation process. If this model is correct then fluids and crystal growth models assuming a strictly monodisperse nutrient solution need to be revised. Experimental evidence, based upon face growth rate, AFM, and fluorescence energy transfer data, for a postulated model of the nucleation of tetragonal lysozyme crystals and how it transitions into crystal growth will be presented.

Pusey, Marc L.↗
DOE OSTI2024

Formation of (Rh–Fe)–FeO x Complex Sites Enables Methanol Synthesis from CO 2

Here, we addressed the challenges of designing catalysts for selective CO 2 hydrogenation by incorporating oxide Fe species onto Rh nanoparticles. Nanoscopic FeO x domains created a “reverse catalyst” structure (i.e., a metal oxide supported on a metal) that increased the density of interfacial sites compared to traditional supported catalysts. The contact between the metal nanoparticle and the oxide overlayer induced the formation of a surface Rh-Fe alloy that stabilize methoxy groups while suppressing hydrogenolysis to methane. Sites at FeO x -metal interfaces interact with CO 2 sevenfold stronger than sites on metal surfaces, show larger energy barriers to cleave the C-O bonds, and offer a barrierless pathway for hydrogenation of methoxy species to methanol. Consequently, the multifunctional sites over FeO x /Rh-Fe catalysts highlight and meet the requirements of a selective methanol catalyst: strong interaction with CO 2 to ensure high density of transition states; metal sites to activate and make hydrogen available to surface intermediates; and high energy barriers for C-O bond cleavage to form carbides. These synthesis and catalytic chemistries, demonstrated for Rh-Fe-FeO x interfaces, enable us to overcome the limitations to the design of methanol production catalysts.

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

Final Report for Project. Quark matter under extreme conditions

The results obtained in the two years of the grant have served to shine new light on several important questions about the phases of quantum chromodynamics (QCD) under extreme conditions that include quark matter at high density, as well quark-gluon plasma at high temperatures, both in the presence of strong magnetic fields. The interest in including an external magnetic field on these studies is motivated by the generation of large magnetic fields in off-central heavy-ion collisions and by their common presence in astrophysical compact objects, the two scenarios where the physics of quark matter becomes relevant. The tasks carried out in this DOE project led us, among other things, to discover the first connection between the physics of very dense quark matter and novel materials as for instance topological insulators and Weyl semimetals; they allowed us to find a physical explanation for and a solution to a standing puzzle in the apparent effect of a magnetic field on the critical temperature of the QCD chiral transition; and they led us to establish by the first time that the core of the observed two-solar-mass neutron stars could be made up of quark matter in certain inhomogeneous chiral phases in a magnetic field and that this was consistent with current astrophysical observations. A major goal established by the Nuclear Science Advisory committee in its most recent report “Reaching for the Horizon” has been “to truly understand how nuclei and strongly interacting matter in all its forms behave and can predict their behavior in new settings.” The results found in this DOE project have all contributed to address this goal, and thus they are important for advancing fundamental knowledge in the area of nuclear physics and for enhancing our understanding of the role of strong magnetic fields in the two settings where they are most relevant, neutron stars and heavy-ion collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2002

A Model for Tetragonal Lysozyme Crystal Nucleation and Growth

Macromolecular crystallization is a complex process, involving a system that typically has 5 or more components (macromolecule, water, buffer + counter ion, and precipitant). Whereas small molecules have only a few contacts in the crystal lattice, macromolecules generally have 10's or even 100's of contacts between molecules. These can range from hydrogen bonds (direct or water-mediated), through van der Waals, hydrophobic, salt bridges, and ion-mediated contacts. The latter interactions are stronger and require some specificity in the molecular alignment, while the others are weaker, more prevalent, and more promiscuous, i.e., can be readily broken and reformed between other sites. Formation of a consistent, ordered, 3D structure may be difficult or impossible in the absence of any or presence of too many strong interactions. Further complicating the process is the inherent structural asymmetry of monomeric (single chain) macromolecules. The process of crystal nucleation and growth involves the ordered assembly of growth units into a defined 3D lattice. We suggest that for many macromolecules, particularly those that are monomeric, this involves a preliminary solution-phase assembly process into a growth unit having some symmetry prior to addition to the lattice, recapitulating the initial stages of the nucleation process. If this model is correct then fluids and crystal growth models assuming a strictly monodisperse nutrient solution need to be revised. This model has been developed from experimental evidence based upon face growth rate, AFM, and fluorescence energy transfer data for the nucleation and growth of tetragonal lysozyme crystals.

Pusey, Marc L.↗
DOE OSTI2025

Interacting mesons as degrees of freedom in a chiral model

Here, we study the equation of state of hot and dense hadronic matter using an extended chiral mean field (CMF) model framework where the addition is the inclusion of interactions of thermally excited mesons. This is implemented by calculating the in-medium masses of pseudoscalar and vector mesons, obtained through the explicit chiral symmetry-breaking and vector-interaction terms in the Lagrangian, respectively, prior to applying the mean-field approximation. As a result, the in-medium meson contributions generate a feedback term to the CMF’s equations of motion, which then modifies the equation of state. With this improvement, we quantify the effect on the equation of state of strongly interacting matter through comparisons with state-of-the-art lattice QCD results and other hadronic models like the hadron resonance gas model. We find that the results of the updated hadronic CMF model with an improved meson description (mCMF) provide a better agreement with lattice-QCD data for thermodynamic state variables across a wide range of temperatures and baryon chemical potentials.

phenomenology↗
DOE OSTI2015

Synergistic interaction between oxides of copper and iron for production of fatty alcohols from fatty acids

In this study, the selective hydrogenation of fatty acids to fatty alcohols can be achieved under moderate conditions (180 °C, 30 bar H 2 ) by simultaneously supporting copper and iron oxides on mesoporous silica nanoparticles. The activity of the cosupported oxides is significantly higher than that of each supported metal oxide and of a physical mixture of both individually supported metal oxides. A strong interaction between both metal oxides is evident from dispersion, XRD, TPR, and acetic acid TPD measurements, which is likely responsible for the synergistic behavior of the catalyst. Copper oxide is reduced in situ to its metallic form and thereby activates hydrogen.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Atomic-scale understanding of the electronic structure-crystal facets synergy of nanopyramidal CoPi/BiVO 4 hybrid photocatalyst for efficient solar water oxidation

The observation of a spontaneous electron enrichment at the apexes of bismuth vanadate (BiVO 4 ) nanopyramidal arrays is achieved by performing synchrotron-based angular dependent X-ray absorption spectroscopy. In accordance with density function theory calculations, the formation of (112) facets enriched apexes is proposed. Such intrinsically electron-enriched (112) facets at the apexes produce a potential facilitating the diffusion of photoexcited holes, which not only mitigates the recombination with the photoexcited electrons, but also provide an active reaction site for the photoassisted selective growth of cobalt phosphate (CoPi), a well known and highly active co-catalyst for water oxidation at the apex of BiVO 4 nanopyramids. Benefiting from the element-resolved properties of synchrotron-based X-ray spectroscopy, 3d electrons on the vanadium site are directly resolved by resonant inelastic X-ray scattering measurements. Due to this unique morphology, the charge at the apex is expected to induce a strong interaction with CoPi, as a result of the metal-to-ligand charge transfer spectroscopy feature observed from the cobalt site. Substantial evidences are collected by means of comprehensive soft X-ray spectroscopy techniques with high spectral resolution revealing the atomic-scale origin and the nature of the synergy as well as the strong correlation between its unique structural properties and the electronic structure of this novel highly-ordered hybrid photocatalyst and its significantly improved photoelectrochemical performance.

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

Photon emission in neutral current interactions with nucleons and nuclei

We report on our study of photon emission induced by E{sub ν} ∼ 1 GeV (anti)neutrino neutral current interactions with nucleons and nuclei. This process is an important background for ν{sub e} appearance oscillation experiments. At the relevant energies, the reaction is dominated by the excitation of the Δ(1232) resonance but there are also non-resonant contributions that, close to threshold, are fully determined by the effective chiral Lagrangian of strong interactions. We have obtained differential and integrated cross section for the (anti)neutrino-nucleon scattering and compare them with previous results. Furthermore, we have extended the model to nuclear targets taking into account Fermi motion, Pauli blocking and the in-medium modifications of the Δ properties. This study is important in order to reduce systematic effects in neutrino oscillation experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

The Brief Life of a Hadron: QCD unquenched

Once upon a time, the picture of hadrons was of mesons made of a quark and an antiquark, and baryons of three quarks. Though hadrons heavier than the ground states inevitably decay by the strong interaction, the successes of the quark model might suggest their decays are a mere perturbation. However, Eef van Beveren, whose career we celebrate here, recognised that decays are an integral part of the life of a hadron. The channels into which they decay are often essential to their very existence. These hold the secrets of strong coupling QCD and teach us the way quarks really build hadrons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Organic Modifiers Promote Furfuryl Alcohol Ring Hydrogenation via Surface Hydrogen-Bonding Interactions

Interactions between surface adsorbed species can affect catalyst reactivity, and thus, the ability to tune these interactions is of considerable importance. Deposition of organic modifiers provides one method of intentionally introducing controllable surface interactions onto catalyst surfaces. In this study, Pd/Al2O 3 catalysts were modified with either thiol or phosphonic acid (PA) ligands and tested in the hydrogenation of furanic species. The thiol modifiers were found to inhibit ring hydrogenation (RH) activity, with the degree of inhibition trending with the thiol surface coverage. This suggests that thiols do not strongly interact with the reactants and simply serve to block active sites on the Pd surface. PAs, on the other hand, were found to enhance RH when furfuryl alcohol (FA) was used as the reactant. Density functional theory calculations suggested that this enhancement was due to hydrogen-bonding interactions between FA-derived surface intermediates and PA modifiers. Here, installation of hydrogen-bonding groups on the Pd surface served to preferentially stabilize RH product states. Furthermore, the promotional effect on the RH of FA was observed to be greater when a higher-coverage PA was used, providing a rate more than twice that of the unmodified Pd/Al2O 3 . The results of this work suggest that organic ligands can be designed to impart tunable surface interactions on heterogeneous catalysts, providing an additional method of controlling catalytic performance.

09 BIOMASS FUELS↗
DOE OSTI2016

Evolving images of the proton: Hadron physics over the past 40 years

Once upon a time, the world was simple: the proton contained three quarks, two ups and a down. How these give the proton its mass and its spin seemed obvious. Over the past 40 years the proton has become more complicated, and how even these most obvious of its properties is explained in a universe of quarks, antiquarks and gluons remains a challenge. That this should be so should come as no surprise. Quantum chromodynamics, the theory of the strong interaction, is seemingly simple, and its consequences are straightforward in the domain of hard scattering where perturbation theory applies. However, the beauty of the hadron world is its diversity. The existence of hadrons, their properties, and their binding into nuclei do not appear in the Lagrangian of QCD. They all emerge as a result of its strong coupling. Strong coupling QCD creates complex phenomena, much richer than known 40 years ago: a richness that ensures colour confinement and accounts for more than 95% of the mass of the visible Universe. How strong coupling QCD really works requires a synergy between experiment and theory. Furthermore, a very personal view of these fascinating developments in cold QCD is presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Finite-momentum instability of a dynamical axion insulator

Due to the chiral anomaly, Weyl semimetals can exhibit a signature topological magnetoelectric response known as an axion term which is determined by the microscopic band structure. In the presence of strong interactions Weyl fermions may form a chiral condensate, with the intrinsic dynamics and fluctuations of the associated condensate phase producing a dynamical contribution to the axion response. Here we show that an imbalance in the density of right- and left-handed electrons drives an instability of the chiral condensate towards finite momentum and leads to strong fluctuations in the axion response. We derive a long-wavelength theory of Lifschitz type governing the dynamics of the Goldstone mode and use this to characterize its associated spatial fluctuations, which manifest as an inhomogeneous anomalous Hall effect. In conclusion, we show that these fluctuations produce signatures in inelastic light-scattering experiments across a broad spectrum of frequencies, and can be used to determine the structure factor for the axionic collective mode.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Plasmon-phonon coupling between mid-infrared chiral metasurfaces and molecular vibrations

Plasmon-phonon coupling between metamaterials and molecular vibrations provides a new path for studying mid-infrared light-matter interactions and molecular detection. So far, the coupling between the plasmonic resonances of metamaterials and the phonon vibrational modes of molecules has been realized under linearly polarized light. Here, mid-infrared chiral plasmonic metasurfaces with high circular dichroism (CD) in absorption over 0.65 in the frequency range of 50 to 60 THz are demonstrated to strongly interact with the phonon vibrational resonance of polymethyl methacrylate (PMMA) molecules at 52 THz, under both left-handed and right-handed circularly polarized (LCP and RCP) light. The mode splitting features in the absorption spectra of the coupled metasurface-PMMA systems under both circular polarizations are studied in PMMA layers with different thicknesses. The relation between the mode splitting gap and the PMMA thickness is also revealed. The demonstrated results can be applied in areas of chiral molecular sensing, thermal emission, and thermal energy harvesting.

42 ENGINEERING↗
DOE OSTI2017

Continuum Model of Gas Uptake for Inhomogeneous Fluids

We describe a continuum model of gas uptake for inhomogeneous fluids (CMGIF) and use it to predict fluid adsorption in porous materials directly from gas-substrate interaction energies determined by first principles calculations or accurate effective force fields. The method uses a perturbation approach to correct bulk fluid interactions for local inhomogeneities caused by gas substrate interactions, and predicts local pressure and density of the adsorbed gas. The accuracy and limitations of the model are tested by comparison with the results of Grand Canonical Monte Carlo simulations of hydrogen uptake in metal-organic frameworks (MOFs). We show that the approach provides accurate predictions at room temperature and at low temperatures for less strongly interacting materials. As a result, the speed of the CMGIF method makes it a promising candidate for high-throughput materials discovery in connection with existing databases of nano-porous materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Reconfiguring crystal and electronic structures of MoS 2 by substitutional doping

Doping of traditional semiconductors has enabled technological applications in modern electronics by tailoring their chemical, optical and electronic properties. However, substitutional doping in two-dimensional semiconductors is at a comparatively early stage, and the resultant effects are less explored. In this work, we report unusual effects of degenerate doping with Nb on structural, electronic and optical characteristics of MoS 2 crystals. The doping readily induces a structural transformation from naturally occurring 2H stacking to 3R stacking. Electronically, a strong interaction of the Nb impurity states with the host valence bands drastically and nonlinearly modifies the electronic band structure with the valence band maximum of multilayer MoS 2 at the Γ point pushed upward by hybridization with the Nb states. Finally, when thinned down to monolayers, in stark contrast, such significant nonlinear effect vanishes, instead resulting in strong and broadband photoluminescence via the formation of exciton complexes tightly bound to neutral acceptors.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Quantifying the relationship between electric field enhancement and plasmon-driven electron transfer

Plasmonic materials interact strongly with light to create localized, out-of-equilibrium environments with intense electromagnetic fields known as hotspots. After forming, hotspots dissipate energy into their surroundings and can transfer energy and charge carriers to nearby molecules, giving plasmonic materials the potential to drive reactions with sunlight. However, the field needs a better mechanistic understanding of plasmon–molecule interactions and how the local plasmon environment, specifically the electromagnetic field enhancement and spatial distribution of hotspots, impacts the reaction yield. Here, in this work, we mapped plasmon-driven charge transfer across ordered plasmonic substrates using diffraction-limited surface-enhanced Raman spectroscopy (SERS) microscopy to understand the relationship between the average local electric field enhancement and charge transfer reaction yield. We tracked the plasmon-induced electron transfer to buckminsterfullerene (C 60 ) and found that areas with the greatest SERS intensity were not the areas with the greatest ensemble-averaged reduction of C 60 , suggesting that areas with higher electric field enhancement—or “hotter,” more enhancing hotspots—do not improve the charge transfer reaction yield. This work shows that efforts to improve plasmon-driven charge transfer should not merely focus on creating substrates with extremely enhancing regions but also consider how other factors could optimize photoreduction yields.

Koble, MaKenna M. [Univ. of Minnesota, Minneapolis↗