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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Elucidating the Role of Electric Fields in Fe Oxidation via an Environmental Atom Probe

We quantify the effects of intensely applied electric fields on the Fe oxidation mechanism. The specimen are pristine Fe single crystals exposing a variety of surface structures identified by field ion microscopy. These crystals are simultaneously exposed to low pressures of pure oxygen gas, on the order of 10 −7 mbar, while applying intense electric fields on their surface of several tens of volts per nanometer. The local composition of the different surface structures is probed directly and in real time using an Environmental Atom Probe and successfully compared with first principles-based models. We found that rough Fe{244} and Fe{112} facets are more reactive toward oxygen than compact Fe{024} and Fe{011} facets. Results demonstrate that the influence of an electric field on the oxidation kinetics depends on the timescales that are involved as the system evolves toward equilibrium. The initial oxidation kinetics show that strong increases in electric fields facilitate the formation of an oxide. However, as one approaches equilibrium, high field values mitigate this formation. Ultimately, this study elucidates how high externally applied electric fields can be used to dynamically exploit reaction dynamics at the nanoscale towards desired products in a catalytic reaction at mild reaction conditions.

09 BIOMASS FUELS↗
DOE OSTI2021

Completely dark photons from gravitational particle production during the inflationary era

Starting with the de Broglie-Proca Lagrangian for a massive vector field, we calculate the number density of particles resulting from gravitational particle production (GPP) during inflation, with detailed consideration to the evolution of the number density through the reheating. We find plausible scenarios for the production of dark-photon dark matter of mass in a wide range, as low as a micro-electron volt to 10 14 GeV. Gravitational particle production does not depend on any coupling of the dark photon to standard-model particles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Tuning working potential of silicon-phosphorus anode via microstructure control for high-energy lithium-ion batteries

The primary research on anode materials of lithium-ion batteries have been focused on increasing the specific capacity, while the working potential that is also closely related to the practical energy density of batteries has been paid much less attention. In this paper, starting from micrometer-sized silicon and black phosphorus, we have reported a high-energy silicon-phosphorus/carbon anode (denoted as mSPC) via a high-energy ball milling process, which demonstrates an average discharge working potential of 0.3 volts versus lithium, together with a high reversible capacity of > 2000 mAh/g, high initial coulombic efficiency of 84%, excellent cycle stability, and superior rate capability up to 15 A/g. Furthermore, in situ focused-ion-beam scanning electron microscopy reveals that the volume change of the mSPC anode during repeated (de) lithiation is effectively alleviated. In contrast, starting from nanometer-sized silicon, the resulted anode (denoted as nSPC) not only presents a lower reversible capacity (~1200 mAh/g), but also exhibits a higher charge/discharge working potential, leading to reduced energy density. Our results indicate the importance of composition/structure control in tailoring the working potential and specific capacity of alloying-type anodes towards high-energy lithium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2019

Growth and Nanofabrication of All-Perovskite Superconducting/Ferromagnetic/Superconducting Junctions

We fabricate and study experimentally all-perovskite-oxide superconductor/ferromagnetic insulator/superconductor (S/FI/S) tunnel junctions made out of the high-temperature cuprate superconductor YBa{sub 2}Cu{sub 3}O{sub 7−y} (YBCO) and the colossal magnetoresistive manganite LaMnO{sub 3} (LMO) in the ferromagnetic insulator state. YBCO/LMO/YBCO heterostructures with different LMO thicknesses (5, 10, and 20 nm) are grown epitaxially via pulsed laser deposition. Nanoscale S/FI/S junctions with sizes down to 300 nm are made by three-dimensional nano-sculpturing with focused ion beam. Junctions with a thick (20 nm) LMO barrier exhibit a large negative magnetoresistance below T{sub Curie}∼160 K, typical for colossal magnetoresistive manganites, as well as a kink in the current-voltage characteristics at large bias (V∼1–2 Volts), attributed to Zener-type tunneling. However, they do not show a measurable Josephson current. On the contrary, junctions with the thinnest 5-nm LMO barrier exhibit a large supercurrent and no signs of magnetism. The latter may indicate the presence of pinholes due to thickness inhomogeneity and/or a ∼ 2 nm dead magnetic layer at the YBCO / LMO interface caused, e.g., by interdiffusion or strain. The junction with an intermediate 10-nm LMO barrier exhibited a desired S/FI/S junction behavior with significant negative magnetoresistance and signatures of a small Josephson current.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Experiments at Jefferson Lab

This chapter presents experiments conducted at Thomas Jefferson National Accelerator Facility (Jefferson Lab), a U.S. Department of Energy national laboratory in Newport News, Virginia. There, physicists exploring the nature of matter make use of the Continuous Electron Beam Accelerator Facility (CEBAF), a DOE Office of Science user facility that enables the research of more than 1,650 scientists worldwide. CEBAF’s precise electron beams can reach energies up to 12 billion electron-volts and exhibit high degrees of polarization. Jefferson Lab’s first experiment began taking data in 1995. Since then, the facility has become a world leader in the study of quantum chromodynamics. Today, experiments are carried out simultaneously in four experimental halls, each with specialized capabilities. The primary instruments in use are focusing or large-acceptance magnetic spectrometers, many of which feature superconducting elements. Jefferson Lab’s physics program provides unprecedented insight into the particles and forces that shape the visible universe.

Achenbach, Patrick [Thomas Jefferson National Acce↗
DOE OSTI2020

Work function measurements of clean and modified carbon nanospikes

Carbon surfaces incorporating densely packed spikes with nanometer sharpness have shown exceptional electrocatalytic properties attributed to the enhanced electric field from the topography of the spikes. In this article, the composition of nanospike surfaces is identified by x-ray photoelectron spectroscopy (XPS) and their absolute work function determined using ultraviolet photoemission spectroscopy (UPS). Low temperature annealing of as-grown samples above 275 °C is required to produce a clean surface which has a 4.13 eV work function, a half volt lower than that of flat graphite. Treatments that contaminate the spiked surface, including exposure to air, oxidation at elevated temperature, or immersion in water or hydrocarbons, all increase the work function. Processing that blunts the spikes, including exposure to an oxygen plasma, argon sputtering, or high temperature annealing (800 °C) result in a work function close to that of flat graphite. An unusual double onset in the UPS secondary electron intensity is observed on as-grown nanospike samples and is reproduced by absorbing hydrocarbons on the surface. In conclusion, this double onset appears to be unique to carbon substrates and may originate in inelastic scattering of photoelectrons.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The development of a Sustained High Power Density (SHPD) facility

A Sustained High Power Density (SHPD) facility is being planned within the U.S. as a non DT device which can be a bridge to a Compact Fusion Pilot Plant (CFPP) DT operated facility with the future capacity to produce a levelised cost of electricity at a rate competitive with current power generating systems. To accomplish this a review of ITER cost data and recent next step physics/engineering studies that promoted technology development, physics enhancements and innovated configuration improvements that increase operating availability have been injected into a proposed PPPL SHPD design. Much of the physics and engineering design basis for this effort centers on a series of ST studies carried out in recent years attempting to maximize the low aspect ratio (AR) ST performance within realistic engineering constraints of this compact fusion device. One issue found in the low AR design is the lack of volt-seconds generated by a small central solenoid that resides in the available space left after sizing the TF structure to support the high current density/HTS TF coil. Although not required in a larger pilot plant device, a solenoid wrapped around the plasma side of the SC TF coil was considered for the small low aspect ratio SHPD device. Adding a solenoid to the plasma side of the TF imposes a major change to the device configuration – a change which has been found to have cost and assembly issues when compared with an OH solenoid located at the machine center. Finally, the inclusion of a liquid metal first wall divertor system, the integration of local pairs of outboard DCLL blanket segments and a summary of physics performance conditions will be presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Effects of temperature and pressure on the performance of a solid oxide fuel cell running on steam reformate of kerosene

A button solid oxide fuel cell with a La0.6Sr0.4Co0.2Fe0.8O3 cathode and a nickel-YSZ anode was tested over a range of temperatures from 650 to 800°C and a range of pressures from 101 to 724 kPa. The fuel was simulated steam-reformed kerosene and the oxidant was air. The observed increases in open circuit voltages (OCV) were accurately predicted by the Nernst equation. Kinetics also increased, although the power boost due to kinetics was about two thirds as large as the boost due to OCV. The total power boost in going from 101 to 724 kPa at 750°C and 0.8 volts was 66%. Impedance spectroscopy demonstrated a significant decrease in electrodic losses at elevated pressures. Complex impedance spectra were dominated by a combination of low frequency processes that decreased markedly with increasing pressure. A composite of high-frequency processes also decreased with pressure, but to a lesser extent. An empirical algorithm that accurately predicts the increased fuel cell performance at elevated pressures was developed for our results and was also suitable for some, but not all, data reported in the literature.

Chick, Lawrence A.↗
DOE OSTI2017

New insights into the structure, chemistry, and properties of Cu 4 SnS 4

The ambient temperature structure of Cu 4 SnS 4 has been revisited and the recently reported low temperature structure has been confirmed from single-crystal X-ray diffraction data. A structural phase transition from a large monoclinic unit cell at low temperature to a smaller orthorhombic unit cell at high temperature has been observed. The room temperature phase exhibited disorder in the two copper sites, which is a different finding from earlier reports. The low temperature monoclinic form crystallizes in P2 1 /c space group, which is isostructural with Cu 4 GeS 4 . The phase transition has also been studied with variable temperature powder X-ray diffraction and 119 Sn Mössbauer spectroscopy. The Seebeck coefficients and electrical resistivity of polycrystalline Cu 4 SnS 4 are reported from 16 to 400 K on hot pressed pellets. Thermal conductivity measurements at high temperatures, 350 – 750 K exhibited very low thermal conductivities in the range 0.28 – 0.35 W K –1 m –1 . In all the transport measurements the phase transition has been observed at around 232 K. Resistivity decreases, while Seebeck coefficient increases after the phase transition during warming up from low to high temperatures. This change in resistivity has been correlated with the results of first-principles electronic band structure calculations using highly-accurate screened-exchange local density approximation. It was found that both the low hole effective mass of 0.63 me for the Γ→Y crystallographic direction and small band gap, 0.49 eV, are likely to contribute to the observed higher conductivity of the orthorhombic phase. Cu 4 SnS 4 is also electrochemically active and shows reversible reaction with lithium between 1.7 and 3.5 volts.

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

Synthesis of plasma polymerized PEM with pillar surface structure and its fuel cell performance

Highlights: • The surface morphology study of the membrane shows the presence of pillars on the surface of the membrane. • The membrane developed at 50 Watt shows good cell performance in fuel cell generating power density of 610 mW cm{sup −2}. • The pillar structure of the membrane also plays an indispensable role in the cell performance of the plasma polymerized PEM. - Abstract: Proton exchange membrane (PEM) is synthesized successfully by plasma polymerization technique in RF plasma discharge. The chemical composition of the prepared membranes is examined by FTIR analyses. SEM and AFM analysis of the membrane show the formation of a prominent pillar surface structure at high RF power. The pillar structure of the membrane also plays an indispensable role in the cell performance of the plasma polymerized PEM. The physical properties of the membrane developed under different plasma conditions are investigated in the range of RF power from 20 to 80 W. The membrane synthesized at 50 W shows better cell performance that it develops 610 mW cm{sup −2} of power density and 0.68 A cm{sup −2} of current density at 0.6 volts in fuel cell than other membranes synthesized at different plasma conditions.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2016

Position-sensitive detection of ultracold neutrons with an imaging camera and its implications to spectroscopy

Position-sensitive detection of ultracold neutrons (UCNs) is demonstrated using an imaging charge-coupled device (CCD) camera. A spatial resolution less than 15μm has been achieved, which is equivalent to a UCN energy resolution below 2 pico-electron-volts through the relation δE=m 0 gδx. Here, the symbols δE, δx, m 0 and g are the energy resolution, the spatial resolution, the neutron rest mass and the gravitational acceleration, respectively. A multilayer surface convertor described previously is used to capture UCNs and then emits visible light for CCD imaging. Particle identification and noise rejection are discussed through the use of light intensity profile analysis. As a result, this method allows different types of UCN spectroscopy and other applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Operation and performance of microhexcavity pixel detector in gas discharge and avalanche mode

The Microhexcavity Panel (μHex) is a novel gaseous micropattern particle detector comprised of a dense array of close-packed hexagonal pixels, each operating as an independent detection unit for ionizing radiation. It is a second generation detector derived from plasma panel detectors and microcavity detectors. The μHex is under development to be deployed as a scalable, fast timing (ns) and hermetically sealed gaseous tracking detector with high rate (> 100KHz / cm 2 ) capability. The devices reported here were fabricated as 16 × 16 pixel arrays of 2 mm edge-to-edge, 1 mm deep hexagonal cells embedded in a thin, 1.4 mm glass–ceramic wafer. Cell walls are metalized cathodes, connected to high voltage bus lines through conductive vias. Anodes are small, 457 μm diameter metal discs screen printed on the upper substrate. The detectors are filled with an operating gas to near 1 atm and then closed with a shut-off valve. They have been operated in both avalanche mode and gas discharge devices, producing mV to volt level signals with about 1 to 3 ns rise times. Operation in discharge mode is enabled by high impedance quench resistors on the high voltage bus at each pixel site. Results indicate that each individual pixel behaves as an isolated detection unit with high single pixel intrinsic efficiency to both βs from radioactive sources and to cosmic ray muons. Finally, continuous avalanche mode operation over several days at hit rates over 300 KHz / cm 2 with no gas flow have been observed. Measurements of pixel isolation, timing response, efficiency, hit rate and rate stability are reported.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

A novel low energy electron microscope for DNA sequencing and surface analysis

Monochromatic, aberration-corrected, dual-beam low energy electron microscopy (MAD-LEEM) is a novel technique that is directed towards imaging nanostructures and surfaces with sub-nanometer resolution. The technique combines a monochromator, a mirror aberration corrector, an energy filter, and dual beam illumination in a single instrument. The monochromator reduces the energy spread of the illuminating electron beam, which significantly improves spectroscopic and spatial resolution. Simulation results predict that the novel aberration corrector design will eliminate the second rank chromatic and third and fifth order spherical aberrations, thereby improving the resolution into the sub-nanometer regime at landing energies as low as one hundred electron-Volts. The energy filter produces a beam that can extract detailed information about the chemical composition and local electronic states of non-periodic objects such as nanoparticles, interfaces, defects, and macromolecules. The dual flood illumination eliminates charging effects that are generated when a conventional LEEM is used to image insulating specimens. A potential application for MAD-LEEM is in DNA sequencing, which requires high resolution to distinguish the individual bases and high speed to reduce the cost. The MAD-LEEM approach images the DNA with low electron impact energies, which provides nucleobase contrast mechanisms without organometallic labels. Furthermore, the micron-size field of view when combined with imaging on the fly provides long read lengths, thereby reducing the demand on assembling the sequence. Finally, experimental results from bulk specimens with immobilized single-base oligonucleotides demonstrate that base specific contrast is available with reflected, photo-emitted, and Auger electrons. Image contrast simulations of model rectangular features mimicking the individual nucleotides in a DNA strand have been developed to translate measurements of contrast on bulk DNA to the detectability of individual DNA bases in a sequence.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

Orbital-Resolved Imaging of the Adsorbed State of Pyridine on GaP(110) Identifies Sites Susceptible to Nucleophilic Attack

Artificial photosynthesis by photoelectrocatalytic CO 2 reduction is dependent, as is natural photosynthesis, on interfacial electron transfer to couple light excitation energy to reaction centers. For heterogeneous systems, in the context of frontier orbital theory, artificial reaction centers are defined through the interactions of filled and empty orbitals within a few electron volts of the Fermi energy of the adsorbate complex. Here we report a scanning tunneling microscopy (STM) and density functional theory investigation of the orbital-resolved adsorption state defining the dative bonding interaction between a III-V semiconductor surface [GaP(110)] and a N containing heteroaromatic (pyridine). This system was selected for its relevance to photoelectrocatalysis utilizing heteroaromatic co-catalysts, which has been reported to yield highly selective CO 2 reduction to fuels. By examining the distribution of unoccupied molecular orbitals, we show that STM images can be used to positively identify the sites on pyridine susceptible to nucleophilic attack, consistent with frontier orbital theory. Furthermore, this indicates that STM can be used to explore the local reaction centers of adsorbed ambidentate electrophiles and nucleophiles relevant to artificial photosynthesis, and more broadly to generate critical mechanistic information for various heterogeneous acid-base reactions.

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

Silver-Containing α-MnO 2 Nanorods: Electrochemistry in Na-Based Battery Systems

Manganese oxides are considered attractive cathode materials for rechargeable batteries due to the high abundance and environmental friendliness of manganese. In particular, cryptomelane and hollandite are desirable due to their ability to host cations within their octahedral molecular sieve (OMS-2) Alpha-MnO 2 structure. In this work, we investigate silver containing Alpha-MnO 2 structured materials (Ag x Mn 8 O 16 , x = 1.22, L-Ag-OMS-2 or 1.66, H-Ag-OMS-2) as host materials for Li ion and Na ion insertion/de-insertion. The results indicate a significant difference in the lithiation versus sodiation process the OMS-2 materials. Initial reduction of Ag 1.22 Mn 8 O 16 to 1.0 V delivered ~370 mAh/g. Cycling of Ag1.22Mn8O16 between voltage ranges of 3.8 - 1.7 V and 3.8 - 1.3 V in a Na battery delivered initial capacities of 113 and 247 mAh/g, respectively. In contrast, Ag1.66Mn8O16 delivered only 15 mAh/g, ~0.5 electron equivalents, to 1.7 and 1.3 volts. Study of the system by electrochemical impedance spectroscopy (EIS) showed a significant decrease in charge transfer resistance from 2029 Omega to 594 Omega after 1.5 electron equivalents per Ag 1.22 Mn 8 O 16 formula unit of Na ion insertion. In contrast, both Ag 1.22 Mn 8 O 16 and Ag 1.66 Mn 8 O 16 exhibited gradual impedance increases during lithiation. The formation of silver metal could be detected only in the sodiated material by X-ray diffraction (XRD). Thus, the impedance of Ag-OMS-2 decreases upon sodiation coincident with the formation of silver metal during the discharge process, consistent with the more favorable formation of silver metal during the sodiation process relative to the lithation process.

25 ENERGY STORAGE↗
DOE OSTI2025

Approach to Evaluating Reorganization Energies of Interfacial Electrochemical Reactions

Reaction rate coefficients for electron-transfer processes at the electrode–electrolyte interface are commonly estimated by using the Butler–Volmer equation, but their values are inaccurate beyond a few tenths of volts of overpotential. The Marcus–Hush–Chidsey (MHC) formalism yields correct asymptotic behavior of the rate coefficients vs applied overpotential but has complex dependencies on the redox system’s intrinsic parameters, which can be difficult to model or measure. In this work, we bridge the two kinetics formalisms to estimate the reorganization energy, one of the important parameters for the MHC formalism, and investigate its dependence on other intrinsic parameters such as activation barriers, electronic coupling strength, and the density of states of the electrode surface. We examine the sensitivity of the reorganization energy to these parameters, establish some general relationships for accurately predicting rate coefficients using the MHC formalism over a wide range of applied overpotentials, and compare this approach to calculating MHC rate constants with other empirical approaches for the mechanisms of CO 2 reduction on different metal electrode surfaces.

Butler−Volmer↗
DOE OSTI2026

Computational Discovery of Ultralow Thermal Conductivity in the Energy-Degenerate Polymorphic Crystal Family A 2 M 2 M’Q 4

Crystalline materials, characterized by their well-defined lattices, typically exhibit a unique global thermodynamic minimum for a specific composition. However, in this study, we discover a quaternary chalcogenide family, A 2 M 2 M’Q 4 (A: alkali metals; M: coinage metal; M’: transition or group-IVA metals; Q: chalcogens), that exhibits pervasive energy (near-)degeneracy. For a given composition, multiple structurally distinct polymorphs exist within a formation enthalpy window of only a few milli-electron volts per atom. We quantify this inherent structural flexibility using a dedicated descriptor, σ f : the standard deviation of formation enthalpies among degenerate (meta)stable polymorphs. The consistently low σf observed across the A 2 M 2 M’Q 4 family signifies a characteristically shallow and frustrated potential energy landscape, which drives pronounced lattice anharmonicity, marking these materials as prime candidates for ultralow lattice thermal conductivity (κ L ). Employing an advanced high-throughput computational framework that integrates thermodynamics, lattice dynamics, and thermal conductivity calculations, we screen 1215 A 2 M 2 M’Q 4 compounds, identifying 30 stable candidates with κ L < 0.5 W m –1 K –1 at 300 K. Among them, Rb 2 Ag 2 SnTe 4 and Rb 2 Au 2 HfTe 4 , two representatives from the IVA and TM subgroups, are predicted to show ultralow room-temperature κ L of 0.174 W m –1 K –1 and 0.295 W m –1 K –1 , respectively. A systematic analysis suggests that the nonbonding and antibonding states induced by “dual rattlers” are the origin of low thermal conductivity in these compounds. Our results position the A 2 M 2 M’Q 4 family as a rich source of intrinsic thermal insulators and suggest that polymorphic energy degeneracy may serve as a valuable signpost for identifying crystalline families with potential anharmonicity.

cations↗
DOE OSTI2015

Environmental TEM study of electron beam induced electro-chemistry of Pr₀̣₆₄Ca₀̣₃₆MnO₃ catalysts for oxygen evolution

Environmental Transmission Electron Microscopy (ETEM) studies offer great potential for gathering atomic scale information on the electronic state of electrodes in contact with reactants but also pose big challenges due to the impact of the high energy electron beam. In this article, we present an ETEM study of a Pr₀̣₆₄Ca₀̣₃₆MnO₃ (PCMO) thin film electro-catalyst for water splitting and oxygen evolution in contact with water vapor. We show by means of off-axis electron holography and electrostatic modeling that the electron beam gives rise to a positive electric sample potential due to secondary electron emission. The value of the electric potential depends on the primary electron flux, the sample -conductivity and grounding, and gas properties. We present evidence that two observed electro-chemical reactions are driven by a beam induced electrostatic potential of the order of a volt. The first reaction is an anodic electrochemical oxidation reaction of oxygen depleted amorphous PCMO which results in recrystallization of the perovskite structure. The second reaction is oxygen evolution which can be detected by the oxidation of a silane additive and formation of SiO 2–x at catalytically active surfaces. Recently published in-situ XANES observation of subsurface oxygen vacancy formation during oxygen evolution at a positive potential [³²] is confirmed in this work. The quantification of beam induced potentials is an important step for future controlled electro-chemical experiments in an ETEM.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗