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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Models and Measurements Quantify Photon Recycling, Charge-Carrier Diffusion and Photon Scattering Contributions to Photoluminescence in InP Nanowire Arrays

Nanowire arrays present many unique advantages for solar-to-chemical energy conversion. One possible advantage is that photon recycling between neighboring nanowires has the potential to increase solar energy conversion efficiencies. Here, in this work, we explore three underlying mechanisms of optical and electronic coupling between neighboring nanowires─incident photon scattering, photon recycling, and charge-carrier transport from the photoexcited nanowire to the neighboring nanowire via the underlying substrate─using single nanowire-level microscopy and spectroscopy measurements. We present a comprehensive analysis of light absorption and emission of a single nanowire at open circuit, and subsequent re-absorption and re-emission by a neighboring nanowire. We developed a novel correlated single nanowire microspectroscopy and widefield imaging methodology to spatially resolve photon communication pathways between neighboring nanowires and selectively image re-emitted and reflected photons. We developed unique multiphysics models to couple wave optics and semiconductor photophysics to especially isolate contributions from photon recycling and electronic transport to photon emission from neighboring nanowires. By systematically varying the morphologies of the nanowires modeled, we identified pathways to maximize photon recycling between neighboring nanowires. We concluded that the measured photoluminescence is more strongly influenced by the diffusion of charge carriers as compared to photon recycling in materials with moderate-to-large charge-carrier mobilities (>10 cm 2 V –1 s –1 ), and that photon recycling dictates photoluminescence intensity only when the charge-carrier mobility is low (<1 cm 2 V –1 s –1 ). The experimental and simulation platforms developed herein for photon management strategies can be leveraged by the semiconductor photocatalysis community to enhance solar-to-chemical conversion efficiencies in semiconductor nanowire arrays.

25 ENERGY STORAGE↗
DOE OSTI2021

Measurement of $d^2 \sigma/d|\vec{q}|d E_{avail}$ and 2p2h contribution using charged current $\nu_\mu$ interactions in the NOvA Near Detector

This Thesis presents the analysis methods and measurement of the $d^2 \sigma/d|\vec{q}|d E_{avail}$-CC inclusive cross section that describes neutrino scattering in a predominantly hydrocarbon medium. Studies that are prerequisite for the analysis including, variable determinations, event selections, efficiency, purity determinations, and systematic uncertainty estimations, are summarized. Tests of the analysis are also detailed, and shown to reproduce the input distributions. The double-differential cross-section measurement provides the foundation for determination of the inclusive rate for the excess induced by 2p2h processes together with nuclear medium effects that are not described by the Fermi gas model. The methodology for the extraction of this rate, defined as the excess observed relative to the rate estimated for known single-nucleon interactions, is described in detail. The following new measurements are reported in this Thesis: (1) The $\nu_\mu-$CC inclusive double-differential cross section as a function of three-momentum transfer and available hadronic energy, for an average $E_\nu$ of 1.8 GeV, is obtained. The double-differential cross section value that obtains when the bin widths are taken to be the dimensions of the entire analysis domain, e.g. $0.2 \le |\vec{q}| \le 2.0 GeV/c$ and $0.0 \le E_{avail} \le 2.0$ GeV, is inclusive cross section is $(6.05 \pm 0.75)\times10^{-39}$ cm$^2$/GeV/GeV/$c$/nucleon. An event excess attributed to 2p2h-MEC processes is observed; most of the rate occurs in a contiguous phase space region $0.3 \le |\vec{q}| \le 1.0$ GeV$/c$ $0.0 \le E_{avail} \le 0.35$ GeV. This rate represents $12.0\pm 6.5\%$ of the observed CC inclusive cross section; its cross section ratio relative to CCQE scattering is estimated to be $44.3 \pm 23.9\%$.

Olson, Travis Grant↗
DOE OSTI2024

Electron/hole selectivity in organic semiconductor contacts for solar energy conversion (Final Report)

Four major and accomplishments for the project "Electron/hole selectivity in organic semiconductor contacts for solar energy conversion.'' are reported. The first is a development of a model describing the contact-determined behavior of a solar cell. The most basic solar cell consists of an intrinsic (pure) semiconductor that acts as an absorber to which contacts are made that provide the asymmetry needed to create a driving force (voltage) for the directional flow of electrons (current), in other words, to convert sunlight into electrical energy. The asymmetry at the contacts comes from the different rate at which electrons and holes, the charge carriers generated by illumination, are collected. We developed a model that describes the ideal current-voltage, and hence energy converting properties, of an ideal photovoltaic that is entirely determined by the kinetics for these charge collection processes. Second, we measured how organic semiconductor interfacial layers impact contact electron and hole transfer rates at semiconductor interfaces and described how these concepts do or do not determine the open-circuit voltage of a solar cell. The work clearly controverts common general misconceptions about the action of contact interfacial layers, such as the idea that improved selectivity for one carrier over the other results from decreased recombination, and quantitatively demonstrates how specific interfacial layer materials act to improve the efficiency of a solar cell. Third, we measured the sub-band gap external quantum efficiency (EQE) of a series of organometal halide perovskite (“perovskite”) solar cells. These measurements quantified band-tailing and revealed defect states, which can cause recombination, that correlate with composition, performance, and hysteresis. Finally, we developed a semiconductor bipolar membrane that uses light to pump ions. This structure is unique among systems that drive ion gradients using light in that it is designed to pump salt rather than one sign of ion; it is a photochemical salt pump.

14 SOLAR ENERGY↗
DOE OSTI2021

Construction of an Anion-Pillared MOF Database and the Screening of MOFs Suitable for Xe/Kr Separation

The separation of xenon/krypton (Xe/Kr) mixtures is a challenging process. Many porous materials allow the adsorption of both Xe and Kr but only with low selectivity. Anion-pillared metal–organic frameworks (MOFs), featuring the anion groups as structural pillars, show potential in gas separations, but only a limited number of them have been synthesized. Here, we describe a collection of 936 anion-pillared MOFs based on 22 experimentally available structures. We performed density functional theory (DFT) optimization and then assigned density-derived electrostatic and chemical (DDEC) charges for each MOF to make them well suited to molecular simulations. The structural properties of the MOFs vary more strongly with the choice of the organic ligand than with other aspects like fluorine groups and metal centers. We then screened the entire collection of MOFs in the context of Xe/Kr separation at room temperature. Compared with previously reported MOFs, the interpenetrated MOF SIFSIX-6-Cd-i is predicted to perform better for Xe/Kr separations, with a good balance between working capacity (1.62 mmol/g) and separation selectivity (16.4) at 298 K and 100 kPa. Here, we also found that the heterogeneity of fluorine groups within a MOF can help to enhance Xe working capacity without reducing the Xe/Kr selectivity, suggesting that synthesis of anion-pillared MOFs with mixed fluorine groups may lead to improved Xe/Kr separation performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

DMRG on Top of Plane-Wave Kohn–Sham Orbitals: A Case Study of Defected Boron Nitride

In this paper, we analyze the numerical aspects of the inherent multi reference density matrix renormalization group (DMRG) calculations on top of the periodic Kohn-Sham density functional theory using the complete active space approach. The potential of the framework is illustrated by studying hexagonal boron nitride nanoflakes embedding a charged single boron vacancy point defect by revealing a vertical energy spectrum with a prominent multireference character. We investigate the consistency of the DMRG energy spectrum from the perspective of sample size, basis size, and active space selection protocol. Results obtained from standard quantum chemical atom-centered basis calculations and plane-wave based counterparts show excellent agreement. Furthermore, we also discuss the spectrum of the periodic sheet which is in good agreement with extrapolated data of finite clusters. These results pave the way toward applying the DMRG method in extended correlated solid-state systems, such as point defect qubit in wide band gap semiconductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Design considerations for gallium arsenide pulse compression photoconductive switch

In this paper, we present the physics and design-space exploration of a novel pulse compression photoconductive switch (PCPS) using semi-insulating gallium arsenide (GaAs) operating in the negative differential mobility (NDM) regime of electron transport. We systematically quantify the relationship between the PCPS performance and various design options, including contact separation, laser energy and placement, and trap dynamics. Specifically, we report the full-width at half-maximum and the peak output current generated by the PCPS as a function of applied electrical and optical bias. We discuss the optimal spacing between the electrodes and the distance of the laser spot to the anode to achieve higher electron confinement and superior radio-frequency (RF) metrics. Reducing the laser energy is important to prevent the appearance of secondary peaks due to diffusive transport, but there exists a trade-off between the bandwidth and the maximum current of the PCPS. We also compare the PCPS response with and without trap dynamics and find that the electrostatic screening from the trap-induced space charge is time-independent when the trapping time constant is set larger than the recombination lifetime. Overall, trap dynamics are detrimental to performance, unless the compensation doping scheme to achieve semi-insulating GaAs is carefully selected. Results presented in this paper can be used by experimentalists to fine-tune the PCPS design parameters to meet the specifications of various RF applications. Moreover, our results will provide a strong theoretical basis to the measurements of PCPS devices using GaAs and other NDM materials under investigation.

42 ENGINEERING↗
DOE OSTI2024

Pueblo of Laguna Village Community Solar

The project was to install approximately 11.44 kilowatts (kW) rooftop solar photovoltaic (PV) system on the Mesita Village Community Center, an approximately 9.24 kW rooftop solar PV system on the Paguate Village Community Center, an approximately 21.56 kW rooftop solar PV system on the Paraje Village Community Center, and an approximately 11.00 kW rooftop solar PV system on the Seama Community Center, for a total of about 53.24 kW on four village community centers. The systems were expected to generate approximately 93,329 kWh annually. Installing solar PV systems on the four village community centers would have helped achieve the Pueblo of Laguna’s six energy objectives: community development (decreased utility bills, funds for other needs), economic development (training and participation in the renewable energy economy), energy reliability (future storage), community resilience (alternative sources), relationship to people and the natural world (reducing fossil fuel use), and energy sovereignty (Pueblo decision-making). Installing solar PV systems would have also met specific project goals to offset not less than 85% of each selected building’s annual electricity use, ranging from 87% to 103% of demand; save a minimum of 70% of the cost of utility bills per year for each building, ranging from 75% to 77% percent (including service charges); and would have had payback periods shorter than the estimated useful life of the project

14 SOLAR ENERGY↗
DOE OSTI2026

Transverse Kinematic Imbalance in MicroBooNE's New nue CC0pi Measurements

Neutrino-nucleus cross section measurements require accurate modelling of neutrino interactions. Neutrino beams are not monoenergetic, and the energy of each interaction must instead be modelled using nuclear interaction assumptions. This introduces significant systematic uncertainty into cross section measurements. Effects such as Fermi motion, nuclear correlations, and final-state interactions (FSI) smear the underlying quasi-elastic scattering signal, making it difficult to disentangle genuine quasi-elastic kinematics from nuclear effects across the full range of interaction channels (QE, MEC, RES, DIS) probed in these measurements. Transverse Kinematic Imbalance (TKI) variables, such as $\delta p_T$ and $\delta \alpha_T$, probe this same phase space by exploiting the fact that the incoming neutrino has zero transverse momentum ($\vec{p}_T^{\,\nu} = 0$). Any measured transverse imbalance in the final state therefore arises from nuclear effects rather than from uncertainty in the incident neutrino energy, allowing cross section measurements to select a phase space that is rich in quasi-elastic-like events with minimal contamination from FSI and other nuclear effects, independent of energy reconstruction. Recent unfolded MicroBooNE cross section measurements of electron-neutrino charged-current interactions with zero pions and at least one proton ($\nu_e$ CC0$\pi$, 1eNp0$\pi$) show that several leading nuclear interaction generators (including GENIE variants, NuWro, GiBUU, and NEUT) reproduce the differential cross section in electron energy reasonably well, but consistently struggle to describe the differential cross section in the cosine of the leading proton's angle, yielding lower $p$-values across all seven generators tested. This tension points to a more fundamental, kinematics-driven disagreement between data and generators that is not visible in energy-only cross section observables. This is precisely the regime TKI variables are designed to probe. Following previous TKI cross section measurements with muon-neutrino data in MicroBooNE, this poster presents the case for extending the TKI framework to electron-neutrino cross section measurements as a next step to isolate and characterize the source of the observed generator tension in proton kinematics.

Burridge, Jessica [U. Manchester (main)] (ORCID:00↗
NASA NTRS1974

Guiding center model to interpret neutral particle analyzer results

The theoretical model is discussed, which accounts for drift and cyclotron components of ion motion in a partially ionized plasma. Density and velocity distributions are systematically precribed. The flux into the neutral particle analyzer (NPA) from this plasma is determined by summing over all charge exchange neutrals in phase space which are directed into apertures. Especially detailed data, obtained by sweeping the line of sight of the apertures across the plasma of the NASA Lewis HIP-1 burnout device, are presented. Selection of randomized cyclotron velocity distributions about mean azimuthal drift yield energy distributions which compared well with experiment. Use of data obtained with a bending magnet on the NPA showed that separation between energy distribution curves of various mass species correlate well with a drift divided by mean cyclotron energy parameter of the theory. Use of the guiding center model in conjunction with NPA scans across the plasma aid in estimates of ion density and E field variation with plasma radius.

Englert, G. W.↗
NASA NTRS1980

Method of determination of the mass composition of ring current ions

A method for individual registration of protons, and helium and oxygen ions, with energies E for a charge on the order of 100 kev/q in the ring currents of the Earth's magnetosphere was examined. The method is based on the various specific losses in energy by these ions in matter. The ion current, selected according to E/q, is passed through a solid target, after which identification of the masses is carried out, based on the energy losses in the possibly to reliably divide the flows of protons, and helium and oxygen ions.

Temnyy, V. V.↗
NASA NTRS2011

Validating Phasing and Geometry of Large Focal Plane Arrays

The Kepler Mission is designed to survey our region of the Milky Way galaxy to discover hundreds of Earth-sized and smaller planets in or near the habitable zone. The Kepler photometer is an array of 42 CCDs (charge-coupled devices) in the focal plane of a 95-cm Schmidt camera onboard the Kepler spacecraft. Each 50x25-mm CCD has 2,200 x 1,024 pixels. The CCDs accumulate photons and are read out every six seconds to prevent saturation. The data is integrated for 30 minutes, and then the pixel data is transferred to onboard storage. The data is subsequently encoded and transmitted to the ground. During End-to-End Information System (EEIS) testing of the Kepler Mission System (KMS), there was a need to verify that the pixels requested by the science team operationally were correctly collected, encoded, compressed, stored, and transmitted by the FS, and subsequently received, decoded, uncompressed, and displayed by the Ground Segment (GS) without the outputs of any CCD modules being flipped, mirrored, or otherwise corrupted during the extensive FS and GS processing. This would normally be done by projecting an image on the focal plane array (FPA), collecting the data in a flight-like way, and making a comparison between the original data and the data reconstructed by the science data system. Projecting a focused image onto the FPA through the telescope would normally involve using a collimator suspended over the telescope opening. There were several problems with this approach: the collimation equipment is elaborate and expensive; as conceived, it could only illuminate a limited section of the FPA (.25 percent) during a given test; the telescope cover would have to be deployed during testing to allow the image to be projected into the telescope; the equipment was bulky and difficult to situate in temperature-controlled environments; and given all the above, test setup, execution, and repeatability were significant concerns. Instead of using this complicated approach of projecting an optical image on the FPA, the Kepler project developed a method using known defect features in the CCDs to verify proper collection and reassembly of the pixels, thereby avoiding the costs and risks of the optical projection approach. The CCDs composing the Kepler FPA, as all CCDs, had minor defects. At ambient temperature, some pixels look far brighter than they should. These ghot h pixels have a higher rate of charge leakage than the others due to manufacturing variations. They are usually stable over time, and appear at temperatures above 5 oC. The hot pixels on the Kepler FPA were mapped before photometer assembly during module testing. Selected hot pixels were used as target gstars h for the purposes of EEIS testing. gDead h pixels are permanently off, producing a permanently black pixel. These can also be used if there is some illumination of the FPA. During EEIS testing, Dark Current Full Frame Images (FFIs) taken at room temperature were used to create the hot pixel maps for all 84 Kepler photometer CCD channels. Data from two separate nights were used to create two hot pixel maps per channel, which were cross-correlated to remove cosmic ray events which appear to be hot pixels. These hot pixel maps obtained during EEIS testing were compared to the maps made during module testing to verify that the end-to-end data flow was correct.

Standley, Shaun P.↗
DOE OSTI2026

First inclusive triple-differential measurement of the muon-antineutrino charged-current cross section using the NOvA Near Detector

We present the first measurement of the triple-differential muon antineutrino charged-current inclusive cross section, using the NOvA Near Detector and $12.5 \times 10^{20}$ protons on target in the NuMI beam. This sample of muon antineutrino interactions is the largest ever published, with approximately 1 million selected muon antineutrino events. The triple-differential cross section is measured in the final-state kinetic energy, the scattering angle, and the available energy of the interaction. The measurement enables phase-space regions populated by differing neutrino reaction processes to be isolated and the transition regions between them to be defined. The results are compared with the predictions of the main event generators used in the neutrino community and we observe energy- and angle-dependent discrepancies across a broad range of energies and interaction types

Abubakar, S. [Erciyes U.]↗
DOE OSTI2024

Novel indium phosphide charged particle detector characterization with a 120 GeV proton beam

Thin film detectors which incorporate semiconductor materials other than silicon have the potential to build upon their unique material properties and offer advantages such as faster response times, operation at room temperature, and radiation hardness. To explore the possibility, promising candidate materials were selected, and particle tracking detectors were fabricated. An indium phosphide detector with a metal-intrinsic-metal structure has been fabricated for particle tracking. The detector was tested using radioactive sources and a high energy proton beam at Fermi National Accelerator Laboratory. In addition to its simplistic design and fabrication process, the indium phosphide particle detector showed a very fast response time of hundreds of picoseconds for the 120 GeV protons, which are comparable to the ultra-fast silicon detectors. This fast-timing response is attributed to the high electron mobility of indium phosphide. Such material properties can be leveraged to build novel detectors with superlative performance.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Influence of Ag metal dispersion on the thermal conversion of ethanol to butadiene over Ag-ZrO 2 /SiO 2 catalysts

Atomistic scale models were developed and coupled with experimental investigation to deliver a functional understanding of catalytic activity and selectivity in the conversion of ethanol to 1,3-butadiene over Ag/ZrO 2 /SiO 2 . A detailed evaluation of the structural and electronic properties of the resultant catalyst models led to the identification of critical active sites of the catalyst. More importantly, the extent of Ag dispersion on the SiO 2 support and relative proximity to ZrO 2 were found to vary with the oxidation state of Ag and local coordination environment (Ag-O SiO2 ) allowing for critical control of ethanol conversion towards butadiene or ethylene. Simulations revealed that less dispersed or clustered Ag contain predominantly Ag 0 charge state and promote conversion of ethanol to ethylene. The well-dispersed Ag/ZrO 2 /SiO 2 catalyst instead contain a larger fraction of cationic Ag δ+ , and predominantly promote ethanol dehydrogenation and subsequent production of butadiene. The theoretical insights drawn were validated and confirmed experimentally using TEM, XRD and reactivity measurements demonstrating the effect of Ag dispersion on the selectivity of ethanol conversion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2017

The Heliopause Electrostatic Rapid Transit System (HERTS) Design, Trades, and Analyses Performed in a Two Year NASA Investigation of Electric Sail Propulsion Systems

The Heliopause Electrostatic Rapid Transit System (HERTS) was one of the seven total Phase II NASA Innovative Advanced Concepts (NIAC) that was down-selected in 2015 for continued funding and research. In Phase I our team learned that a spacecraft propelled by an Electric Sail (E-Sail) can travel great astronomical distances, such as to the Heliopause region of the solar system (approx. 100 to 120 AU) in approximately one quarter of the time (10 years) versus the time it took the Voyager spacecraft launched in 1977 (36 years). The completed work within the Phase II NIAC funded effort builds upon the work that was done in the Phase I NIAC and is focused on: 1) Testing of plasma interaction with a charged wire in a MSFC simulated solar environment vacuum test chamber. 2) Development of a Particle-in-Cell (PIC) models that are validated in the plasma testing and used to extrapolate to the E-Sail propulsion system design. 3) Conceptual design of a Technology Demonstration Mission (TDM) spacecraft developed to showcase E-Sail propulsion systems. 4) Down selection of both: a) Materials for a multi km length conductor and, b) Best configuration of the proposed conductor deployment subsystem. This paper will document the findings to date (June, 2017) of the above focused areas.

Wiegmann, Bruce M.↗
NASA NTRS1994

Charge collection during hypervelocity penetrations of thin foils

The following represents trajectory sensor development work for the space-station-based Cosmic Dust Collection Facility (CDCF). This facility-class payload was to expose some 7 sq m of NASA-provided general-user instruments in addition to three instruments provided by formally selected principal investigators. The preferred trajectory sensor for this general-user instrument envisioned the detection of impact-triggered plasma for both velocity measurement and location instruments. Space station developments in late 1992/early 1993 lead to cancellation of this potential flight project, for both technical and fiscal reasons. This precipitated termination of all plasma detection work at JSC on behalf of CDCF's general-user instrument. The following comprises three informal reports that summarize the CDCF efforts regarding plasma sensing for trajectory determinations. The reports were initially written for internal CDCF use and were not widely distributed. Because no formal publications are envisioned at present, the three reports are included in full in this document. They not only demonstrate that substantial progress was accomplished in the development of plasma trajectory sensors during 1990-1992, but the results are hopefully of interest and use to others who may continue these developments. The chronological sequence of these three reports is reversed, with the first containing the latest information.

Peterson, Robert B.↗
DOE OSTI2025

Discharge Rate‐Driven Li 2 O 2 Growth Exhibits Unconventional Morphology Trends in Solid‐State Li‐O 2 Batteries

Solid-state lithium oxygen batteries (LOBs) are known for their enhanced safety, higher electrochemical stability, and improved energy density compared to liquid-state LOBs. However, the investigation of solid-state LOBs is limited with little understanding of their discharge and charge processes. In this work, a polymer-based solid-state LOB is used to investigate the effect of discharge rate on lithium peroxide (Li 2 O 2 ) formation, the oxygen evolution reaction (OER), and cycle performance. Notably, we observe a counterintuitive trend: Li 2 O 2 particle size increases with increasing discharge current density, in contrast to liquid systems. This behavior arises from inherent space charge layers that restrict Li⁺ transport under high current, and spatially heterogeneous active sites at the solid electrolyte–cathode interface, directly evidenced by small angle X-ray scattering (SAXS), which govern nucleation accessibility and promote site-selective Li 2 O 2 growth. Furthermore, higher current densities improve ORR and OER efficiency but accelerate anode degradation, while lower currents promote side reactions. These opposing effects result in a trade-off that defines an optimal discharge rate (0.1 mA cm -2 ) for maximizing cycle life. This study provides a new mechanistic perspective on discharge-driven processes in solid-state LOBs and offers practical guidelines for performance optimization in future high-energy battery systems.

Discharge current density↗