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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Probing the local electronic structure of isovalent Bi atoms in InP

Cross-sectional scanning tunneling microscopy (X-STM) is used to experimentally study the influence of isovalent Bi atoms on the electronic structure of InP. In this work, we map the spatial pattern of the Bi impurity state, which originates from Bi atoms down to the sixth layer below the surface, in topographic, filled-state X-STM images on the natural {110} cleavage planes. The Bi impurity state has a highly anisotropic bowtielike structure and extends over several lattice sites. These Bi-induced charge redistributions extend along the $\langle$110$\rangle$ directions, which define the bowtielike structures we observe. Local tight-binding calculations reproduce the experimentally observed spatial structure of the Bi impurity state. In addition, the influence of the Bi atoms on the electronic structure is investigated in scanning tunneling spectroscopy measurements. These measurements show that Bi induces a resonant state in the valence band, which shifts the band edge toward higher energies. Furthermore, we show that the energetic position of the Bi-induced resonance and its influence on the onset of the valence band edge depend crucially on the position of the Bi atoms relative to the cleavage plane.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Improving the Operational Lifetime of the CEBAF Photo-Gun by Anode Biasing

The operating lifetime of GaAs-based photocathodes in DC high voltage electron photo-guns is dominated by the ionization rate of residual beamline gas molecules. In this work, experiments were performed to quantify the improvement in photocathode charge lifetime by biasing the photo-gun anode with a positive voltage, which repels ions generated downstream of the anode. The photo-cathode charge lifetime improved by almost a factor of two when the anode was biased compared to the usual grounded configuration. Simulations were performed using the particle tracking code General Particle Tracer (GPT) with a new custom element. The simulation results showed that both the number and energy of ions play a role in the pattern of QE degradation. The experiment results and conclusions supported by GPT simulations will be presented.

Yoskowitz, J. T.↗
DOE OSTI2022

Multi-modal Energy-optimal Trip Scheduling in Real-time (METS-R) for Transportation Hubs (Final Report)

This report summarizes the work performed under the award number EE0008524. The project develops the Multi-modal Energy-optimal Trip Scheduling in Real-time (METS-R) platform as the next-generation transportation solution based on autonomous electric vehicles (AEV) serving passenger trips from and to urban transportation hubs, to substantially reduce transportation energy consumption. Extensive data collection and analyses were first conducted to understand the demand patterns and energy consumption of hub-based on-road trips. Then, a data-driven framework that consists of an analytical module and a simulation module was proposed. For the analytical module, five planning + operation tools were developed to support the planning and energy-efficient operations of urban AEV services: the charging station planning that robotically allocates charging supplies based on the stationary charging demand distribution; the transit planning and demand adaptive scheduling model that efficiently generates\ candidate transit routes from hubs to other places and dynamically adjusts the transit time table to fit the current demand; the online energy-efficient routing that learns the energy-optimal paths from observations of link-level energy consumption in real-time; the hub-based ridesharing that matches trip requests together with account for the uncertainty of future trip demand and vehicle supply; and finally, the integrated demand prediction and anomaly detection pipeline that leverages the flight/train time table and support other planning/operation tools. To demonstrate the performance of these tools, a scalable high-performance agent-based simulator was built. We divided the urban space into multiple service zones where each zone was considered as an agent for passenger generation and vehicle charging. Two types of AEV agents were coded to model two types of mobility services: AEV taxi and AEV transit. For the AEV taxi, the team implemented the functions of pickup/drop-off passengers, energy-efficient routing, ridesharing, fleet rebalancing, and recharging. For the AEV bus, the team implemented the functions of demand-adaptive route scheduling, passenger boarding, and recharging. A high-performance computing framework was introduced to receive various profiling information (such as link energy updates, vehicle speed) from the simulator instances and communicate the operational commands back to the instances. The numerical experiments show that each of the proposed operational algorithms can reduce energy consumption and improve system efficiency. Furthermore, there exists the need to collectively consider multiple planning + operational strategies as multiple strategies can influence each other in terms of performance impacts. Recommendations for future work related to AEV planning and simulation are discussed.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS2024

Self-Cleaning Coatings for Space or Earth Transparent Electrodynamic Dust Shields Usable for Solar Cells

Reducing dust accumulation on any surface is key for lunar missions as dust can damage or impair the performance of everything from deployable systems to solar cells on the Moon’s surface. Electrodynamic dust shields (EDSs) are a key method to actively clean surfaces by running high voltages (but low currents) through electrodes on the surface. The forces generated by the voltage efficiently remove built up, electrically charged dust particles. Innovators at the NASA Kennedy Space Center have developed a new transparent EDS for removing dust from space and lunar solar cells among other transparent surfaces. The new coatings operate at half the voltage of existing EDSs while being 90% thinner. These capabilities are enabled by an innovative combination of electrode patterning and a thin silica protective layer. The reduced thickness and lower voltage operation expands possibilities for integrating EDSs onto transparent surfaces across industries.

Jerry J Wang↗
DOE OSTI2019

Improving the Electronic Transporting Property for Flexible Field-Effect Transistors with Naphthalene Diimide-Based Conjugated Polymer through Branching/Linear Side-Chain Engineering Strategy

n-Type organic/polymeric semiconductors with high electron mobilities are highly demanded for future flexible organic circuits. Except for developing a new conjugated backbone, recent studies show that side-chain engineering also plays an indispensable role in boosting the charge-transporting property. In this paper, we report a new polymer PNDI2T-DTD with a representative n-type naphthalene diimide (NDI)–bithiophene backbone for high-performance n-type flexible thin-film transistors through branching/linear side-chain engineering strategy. Serving as the flexible side chains, the linear/branching side-chain pattern is found to be effective in tuning the preaggregation behavior in solution and the packing ordering of polymeric chains, resulting in the improvement of thin-film crystallinity. We report the electron mobility of the thin film of PNDI2T-DTD on flexible substrates can reach 1.52 cm 2 V –1 s –1 , which is approximately five times higher than that of PNDI2T-DT with the same conjugated backbone and only branching alkyl chains.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Theory of hysteresis during electron heating of electromagnetic wave scattering by self-organized dust structures in complex plasmas

Dust structuring is a natural and universal process in complex plasmas. The scattering of electromagnetic waves by dust structures is governed by the factor of coherency, i.e., the total number of coherent electrons in a single structure. In the present paper, we consider how the factor of coherency changes due to additional pulse electron heating and show that it obeys a hysteresis. After the end of the pulse heating, the scattering intensity differs substantially from that before heating. There are three necessary conditions for scattering hysteresis: first, the radiation wavelength should be larger than the pattern (structure) size; second, the total number of coherent electrons confined by the structure should be large; and third, the heating pulse duration should be shorter than the characteristic time of dust structure formation. We present the results of numerical calculations using existing models of self-consistent dust structures with either positively or negatively charged dust grains. It is shown that, depending on the grain charge and the ionization rate, two types of hysteresis are possible: one with a final increase of the scattering and the other with a final decrease of the scattering. It is suggested that the hysteresis of coherent scattering can be used as a tool in laboratory experiments and that it can be a basic mechanism explaining the observed hysteresis in radar scattering by noctilucent clouds during active experiments on electron heating in mesosphere.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Infrared spectroscopy of RG–Co + (H 2 O) complexes (RG = Ar, Ne, He): The role of rare gas “tag” atoms

RG n –Co + (H 2 O) cation complexes (RG = Ar, Ne, He) are generated in a supersonic expansion by pulsed laser vaporization. Here, complexes are mass-selected using a time-of-flight spectrometer and studied with infrared laser photodissociation spectroscopy, measuring the respective mass channels corresponding to the elimination of the rare gas “tag” atom. Spectral patterns and theory indicate that the structures of the ions with a single rare gas atom have this bound to the cobalt cation opposite the water moiety in a near-C 2v arrangement. The O–H stretch vibrations of the complex are shifted compared to those of water because of the metal cation charge-transfer interaction; these frequencies also vary systematically with the rare gas atom attached. The efficiencies of photodissociation also vary with the rare gas atoms because of their widely different binding energies to the cobalt cation. The spectrum of the argon complex could only be measured when at least three argon atoms were attached. In the case of the helium complex, the low binding energy allows the spectra to be measured for the low-frequency H–O–H scissors bending mode and for the O–D stretches of the deuterated analog. The partially resolved rotational structure for the antisymmetric O–H and O–D stretches reveals the temperature of these complexes (6 K) and establishes the electronic ground state. The helium complex has the same 3 B 1 ground state as the tag-free complex studied previously by Metz and co-workers (2013), but the A rotational constant is contaminated by vibrational averaging from the bending motion of the helium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Damage to cellular DNA from particulate radiations, the efficacy of its processing and the radiosensitivity of mammalian cells. Emphasis on DNA double strand breaks and chromatin breaks

For several years, it has been evident that cellular radiation biology is in a necessary period of consolidation and transition (Lett 1987, 1990; Lett et al. 1986, 1987). Both changes are moving apace, and have been stimulated by studies with heavy charged particles. From the standpoint of radiation chemistry, there is now a consensus of opinion that the DNA hydration shell must be distinguished from bulk water in the cell nucleus and treated as an integral part of DNA (chromatin) (Lett 1987). Concomitantly, sentiment is strengthening for the abandonment of the classical notions of "direct" and "indirect" action (Fielden and O'Neill 1991; O'Neill 1991; O'Neill et al. 1991; Schulte-Frohlinde and Bothe 1991 and references therein). A layer of water molecules outside, or in the outer edge of, the DNA (chromatin) hydration shell influences cellular radiosensitivity in ways not fully understood. Charge and energy transfer processes facilitated by, or involving, DNA hydration must be considered in rigorous theories of radiation action on cells. The induction and processing of double stand breaks (DSBs) in DNA (chromatin) seem to be the predominant determinants of the radiotoxicity of normally radioresistant mammalian cells, the survival curves of which reflect the patterns of damage induced and the damage present after processing ceases, and can be modelled in formal terms by the use of reaction (enzyme) kinetics. Incongruities such as sublethal damage are neither scientifically sound nor relevant to cellular radiation biology (Calkins 1991; Lett 1990; Lett et al. 1987a). Increases in linear energy transfer (LET infinity) up to 100-200 keV micron-1 cause increases in the extents of neighboring chemical and physical damage in DNA denoted by the general term DSB. Those changes are accompanied by decreasing abilities of cells normally radioresistant to sparsely ionizing radiations to process DSBs in DNA and chromatin and to recover from radiation exposure, so they make significant contributions to the relative biological effectiveness (RBE) of a given radiation.(ABSTRACT TRUNCATED AT 400 WORDS).

Non-NASA Center↗
DOE OSTI2020

Structure and Dynamics of Domains in Ferroelectric Nanostructures – Phase-Field Modeling (Final Technical Report)

Domain pattern formation is one of the most common phenomena in nature and is a topic of immense interest in many fields ranging from materials science and physics to chemistry and biology. This DOE sponsored research project explored the basic science concerning the thermodynamic stability of mesoscale polarization domain patterns and their temporal evolution mechanisms during formation and subsequent switching in ferroelectric nanostructures and heterostructures. The project employed the computational phase-field method in combination of microelasticity and electrostatic theories. The research was carried out in close collaboration with a number of experimental groups who used High Resolution Transmission Electron Microscopy (HRTEM), in situ TEM with Scanning Probe Microscopy (SPM), or Piezoresponse Force Microscopy (PFM) to characterize the domain structures and dynamics of ferroelectric thin films and heterostructures and who grow high-quality ferroelectric and multiferroic thin films using advanced growth techniques such as Molecular Beam Epitaxy (MBE), Pulsed Laser Deposition (PLLD), and sputtering. The research efforts of the project help establish the phase-field method as the most powerful method for understanding and predicting domain structures in ferroelectric thin films and nanostructures. The findings of the project led to the basic understanding of stability and switching mechanisms of ferroelectric domains under different mechanical boundary conditions and under either homogeneous capacitor configurations or local fields using metallic probes as electrodes and the emergence of charged domain walls during domain switching. The project predicted the spatial length scales, temperature ranges, and electromechanical conditions for different polar states in heterostructures and guided the discovery of both transient and stable novel polarization states containing vortex lattices in oxide superlattices. The project resulted in 134 journal publications and 6 PhD theses with all the PhD graduates currently working in either academia or industry within the United States. The basic understanding on the stability of mesoscale polar states and pattern evolution achieved by the project improved our ability to control and engineer properties of ferroelectric thin films and heterostructures for potential applications in nanoscale electronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Robust superconductivity and the suppression of charge-density wave in the quasi-skutterudites Ca 3 ( Ir 1 – x Rh x ) 4 Sn 13 single crystals at ambient pressure

Single crystals of the quasi-skutterudite compounds Ca 3 (Ir 1-x Rh x ) 4 Sn 13 (3–4–13) were synthesized by flux growth and characterized by x-ray diffraction, energy dispersive x-ray spectroscopy, magnetization, resistivity, and radio frequency magnetic susceptibility techniques. The coexistence and competition between the charge density wave (CDW) and superconductivity was studied by varying the Rh/Ir ratio. The superconducting transition temperature, T c , varies from 7 K in pure Ir (x = 0) to 8.3 K in pure Rh (x = 1). Temperature-dependent electrical resistivity reveals monotonic suppression of the CDW transition temperature, T CDW (x). The CDW starts in pure Ir, x = 0, at T CDW ≈ 40 K and extrapolates roughly linearly to zero at x c ≈ 0.53–0.58 under the superconducting dome. Magnetization and transport measurements show a significant influence of CDW on superconducting and normal states. Meissner expulsion is substantially reduced in the CDW region, indicating competition between the CDW and superconductivity. The low-temperature resistivity is higher in the CDW part of the phase diagram, consistent with the reduced density of states due to CDW gapping. Its temperature dependence just above T c shows signs of non-Fermi liquid behavior in a cone-like composition pattern. We conclude that the Ca 3 (Ir 1-x Rh x ) 4 Sn 13 alloy is a good candidate for a composition-driven quantum critical point at ambient pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Rapid and multi-step, patterned electrophoretic deposition of nanocrystals using electrodes covered with dielectric barriers

The rates of electrophoretic deposition (EPD) of CdSe nanocrystals (NCs) are approximately the same when powering electrodes on either the frontside or backside of thick dielectrics when the resistance of the NC colloid exceeds that of the dielectric barrier. Using electrodes with dielectric barriers enables conformal coverage over topography on the frontside. It also enables multistep processing when combined with powering patterned frontside electrodes for localized EPD. Powering patterned backside electrodes produces film features that are wider than the electrode dimensions, which is consistent with the results of modeling the electric field profile.

42 ENGINEERING↗
DOE OSTI2022

Spontaneously broken subsystem symmetries

We investigate the spontaneous breaking of subsystem symmetries directly in the context of continuum field theories by calculating the correlation function of charged operators. Our methods confirm the lack of spontaneous symmetry breaking in some of the existing continuum field theories with subsystem symmetries, as had previously been established based on a careful analysis of the spectrum. We present some novel continuum field theory constructions that do exhibit spontaneous symmetry breaking whenever allowed by general principles. These interesting patterns of symmetry breaking occur despite the fact that all the theories we study are non-interacting.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Possible Demonstration of a Polaronic Bose-Einstein(-Mott) Condensate in UO 2(+x) by Ultrafast THz Spectroscopy and Microwave Dissipation

Bose-Einstein condensates (BECs) composed of polarons would be an advance because they would combine coherently charge, spin, and a crystal lattice. Following our earlier report of unique structural and spectroscopic properties, we now identify potentially definitive evidence for polaronic BECs in photo- and chemically doped UO 2(+x) on the basis of exceptional coherence in the ultrafast time dependent terahertz absorption and microwave spectroscopy results that show collective behavior including dissipation patterns whose precedents are condensate vortex and defect disorder and condensate excitations. Furthermore, that some of these signatures of coherence in an atom-based system extend to ambient temperature suggests a novel mechanism that could be a synchronized, dynamical, disproportionation excitation, possibly via the solid state analog of a Feshbach resonance that promotes the coherence. Such a mechanism would demonstrate that the use of ultra-low temperatures to establish the BEC energy distribution is a convenience rather than a necessity, with the actual requirement for the particles being in the same state that is not necessarily the ground state attainable by other means. Interestingly, a macroscopic quantum object created by chemical doping that can persist to ambient temperature and resides in a bulk solid would be revolutionary in a number of scientific and technological fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Commissioning of an MPGD-based Drift Chamber for Heavy-ion Tracking in FRIB's Sweeper magnet system

A newly developed drift chamber equipped with an innovative hybrid Micro-Pattern Gaseous Detector based readout was commissioned at FRIB. The detector consists of a Multi-layer Thick Gas Electron Multiplier (M-THGEM) mounted over a high-granularity, position-sensitive readout board. Denoted as the Micro-Pattern Drift Chamber (MPDC), the new device is used to provide tracking capability as part of the detectors of the Sweeper magnet system for neutron-invariant-mass spectrometry at the Facility for Rare Isotope Beams (FRIB). The localization of impinging ions in a 30 × 30 cm 2 drift area is derived by processing the charge-avalanche distribution induced on the segmented readout board. The signals induced on the readout pads are processed by a compact, multi-channel Data Acquisition System (DAQ) based on the Scalable Readout System (SRS). To facilitate synchronization with other detector systems of the Sweeper magnet system, the SRS has been configured to accept an external trigger.

Gaseous detectors↗
DOE OSTI2016

Unraveling the Complex Delithiation Mechanisms of Olivine-Type Cathode Materials, LiFe x Co 1– x PO 4

The delithiation mechanisms occurring within the olivine-type class of cathode materials for Li-ion batteries have received considerable attention owing to the good capacity retention at high rates for LiFePO4. A comprehensive mechanistic study of the (de)lithiation reactions that occur when the substituted olivine-type cathode materials LiFexCo1-xPO4 (x = 0, 0.05, 0.125, 0.25, 0.5, 0.75, 0.875, 0.95 and 1) are electrochemically cycled is reported here, using in situ X-ray diffraction (XRD) data. On the first charge, two intermediate phases are observed and identified: Li1-x(Fe3+)x(Co2+)1- xPO4 for 0 < x < 1 (i.e. after oxidation of Fe2+ => Fe3+) and Li2/3FexCo1-xPO4 for 0 ≤ x ≤ 0.5 (i.e. the Co-majority materials). For the Fe-rich materials, we study how nonequilibrium, single-phase mechanisms that occur discretely in single particles, as observed for LiFePO4 at high rates, is affected by Co substitution. In the Co-majority materials, a two-phase mechanism with a coherent interface is observed, as was seen in LiCoPO4, and we discuss how it is manifested in the XRD patterns. We then compare the nonequilibrium, single-phase mechanism with the bulk single-phase and the coherent interface two-phase mechanisms. Despite the apparent differences between these mechanisms, we discuss how they are related and interconverted as a function of Fe/Co substitution and the potential implications for the electrochemistry of this system.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Nano-crystalline p-ZnGa{sub 2}Te{sub 4}/n-Si as a new heterojunction diode

Graphical abstract: Display Omitted Highlights: ► ZnGa{sub 2}Te{sub 4}/Si thin film was prepared by thermal evaporation technique. ► XRD and AFM graphs support the nano-crystalline of the studied device. ► Dark current–voltage characteristics of the heterojunction diode were investigated. ► Electrical parameters and conduction mechanism were determined. ► Conduction mechanisms were controlled by TE, SCLC and TCLC. -- Abstract: In this communication, ZnGa{sub 2}Te{sub 4} thin film was prepared by thermal evaporation technique on n-Si substrate. P-ZnGa{sub 2}Te{sub 4}/n-Si heterojunction diode was fabricated. The structure of ZnGa{sub 2}Te{sub 4} thin film was checked by XRD pattern and confirmed by AFM micrographs. The dark current–voltage characteristics of the heterojunction diode were investigated to determine the electrical parameters and conduction mechanism as a function of forward and reverse biasing conditions in the range (−10 V to 10 V) at temperature interval (303–423 K). The conduction mechanism was controlled by thermionic emission, space charge limited (SCLC) and trap-charge limited current (TCLC) mechanisms. The basic parameters such as the series resistance R{sub s}, the shunt resistance R{sub sh}, the ideality factor n and the barrier height φ{sub b} of the diode, the total density of trap states N{sub 0} and the exponential trapping distribution P{sub o} were determined. The obtained results showed that ZnGa{sub 2}Te{sub 4} is a good candidate for the applications of electronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Characterizing Ultrafast Intersystem Crossing Pathways in Molecular Pt Dimers Using Time-Resolved Wide-Angle X-ray Scattering

Vibronic coupling between transition metal charge transfer states is a potential mechanism for enhancing the intersystem crossing (ISC) rate. Vibronic coupling-driven ISC has been observed in Pt­(II) dimer complexes, where the trajectory across excited-state pathways is tuned by atomic displacements via Pt–Pt stretching vibrations. Time-resolved wide-angle X-ray scattering (TR-WAXS) was utilized to quantify the Pt–Pt contraction following metal–metal-to-ligand charge transfer (MMLCT) excitation in Pt dimers with different bridging ligands. Both complexes exhibit Pt–Pt bond formation with a decrease in Pt–Pt distance of ∼ 0.25 Å and coherent vibrational wavepackets (CVWPs) encoded in the Pt–Pt contraction of both dimers. However, the complexes exhibit different time-dependent evolution of their CVWPs. Analysis of interference patterns between different CVWPs is used to track the trajectory across the excited-state surfaces. Furthermore, this work demonstrates that the interference between CVWPs in ultrafast TR-WAXS encodes indirect information regarding electronic excited-states to reveal the Pt dimer bridge-dependent ISC mechanism.

Computational chemistry↗
DOE OSTI2018

Photocarrier Transfer across Monolayer MoS 2 –MoSe 2 Lateral Heterojunctions

In-plane heterojuctions formed from two monolayer semiconductors represent the finest control of electrons in condensed matter and have attracted significant interest. Various device studies have shown the effectiveness of such structures to control electronic processes, illustrating their potentials for electronic and optoelectronic applications. However, information about the physical mechanisms of charge carrier transfer across the junctions is still rare, mainly due to the lack of adequate experimental techniques. Here we show that transient absorption measurements with high spatial and temporal resolution can be used to directly monitor such transfer processes. We studied MoS 2 –MoSe 2 in-plane heterostructures fabricated by chemical vapor deposition and lithographic patterning followed by laser-generated vapor sulfurization. Transient absorption measurements in reflection geometry revealed evidence of exciton transfer from MoS 2 to MoSe 2 . By comparing the experimental data with a simulation, we extracted an exciton transfer velocity of 10 4 m s–1 . These results provide valuable information for understanding and controlling in-plane carrier transfer in two-dimensional lateral heterostructures for their electronic and optoelectronic applications.

two-dimensional material↗