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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 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

X-ray induced Coulomb explosion imaging of transient excited-state structural rearrangements in CS2

Abstract Structural imaging of transient excited-state species is a key goal of molecular physics, promising to unveil rich information about the dynamics underpinning photochemical transformations. However, separating the electronic and nuclear contributions to the spectroscopic observables is challenging, and typically requires the application of high-level theory. Here, we employ site-selective ionisation via ultrashort soft X-ray pulses and time-resolved Coulomb explosion imaging to interrogate structural dynamics of the ultraviolet photochemistry of carbon disulfide. This prototypical system exhibits the complex motifs of polyatomic photochemistry, including strong non-adiabatic couplings, vibrational mode couplings, and intersystem crossing. Immediately following photoexcitation, we observe Coulomb explosion signatures of highly bent and stretched excited-state geometries involved in the photodissociation. Aided by a model to interpret such changes, we build a comprehensive picture of the photoinduced nuclear dynamics that follows initial bending and stretching motions, as the reaction proceeds towards photodissociation.

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

Interplay between microstructure, defect states, and mobile charge generation in transition metal dichalcogenide heterojunctions

Two-dimensional transition metal dichalcogenides (2D-TMDCs) have gained attention for their promise in next-generation energy-harvesting and quantum computing technologies, but realizing these technologies requires a greater understanding of TMDC properties that influence their photophysics. To this end, we discuss here the interplay between TMDC microstructure and defects with the charge generation yield, lifetime, and mobility. As a model system, we compare monolayer-only and monolayer-rich MoS 2 grown by chemical vapor deposition, and we employ the TMDCs in Type-II charge-separating heterojunctions with semiconducting single-walled carbon nanotubes (s-SWCNTs). Our results suggest longer lifetimes and higher yields of mobile carriers in samples containing a small fraction of defect-rich multilayer islands on predominately monolayer MoS 2 . Compared to the monolayer-only heterojunctions, the carrier lifetimes increase from 0.73 μs to 4.71 μs, the hole transfer yield increases from 23% to 34%, and the electron transfer yield increases from 39% to 59%. We reach these conclusions using a unique combination of microwave photoconductivity (which probes only mobile carriers) along with transient absorption spectroscopy (which identifies spectral signatures unique to each material and type of photoexcited quasiparticle, but does not probe mobility). Overall, our results highlight the substantial changes in photophysics that can occur from small changes in TMDC microstructure and defect density, where the presence of defects does not necessarily preclude improvements in charge generation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Long-lived charge separation in two-dimensional ligand-perovskite heterostructures

Rational design of heterojunctions using nanostructured materials is a useful strategy for achieving efficient interfacial charge separation in photovoltaics. Heterojunctions can be constructed between organic ligands and inorganic layer in two-dimensional (2D) perovskites, taking advantage of their highly programmable structures. We investigate electron and hole transfer at the interface between the thiophene-based semiconducting ligands and the lead halide inorganic sublattices using time-resolved photoluminescence and transient reflection spectroscopy in single 2D perovskite crystals. Here, these measurements demonstrate charge transfer time of ~ 10 ps and long-lived charge-separated state over the nanosecond timescale in 2D ligand-perovskite heterostructures. The efficient charge transfer processes with slow charge recombination suggest the potential for improving exciton dissociation and charge transport in 2D perovskite solar cells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Preliminary Design of Ironless Linear Induction Motors for ITER MSE Shutter Actuators

In this article, the shutters need to be closed or opened during the operation and calibration period time for the fusion diagnostic systems, such as the International Thermonuclear Experimental Reactor (ITER) motional stark effect (MSE). Standard electric motors and actuators will not work in a strong magnetic field environment due to the presence of the magnetic field of fusion reactors. The innovative linear induction motor (LIM) with an ironless feature overcomes this kind of challenge and can be used for any application that requires controlled motion with a large stroke in the magnetic field environment. It consists of a high-electrical conductivity plate like copper and three-phase motor windings with nonferrous or stainless-steel stators. The conductor plate attached with the shutter is simply driven by the underneath three-phase linear windings to achieve linear motion. The motor drive can be controlled remotely by a controller using the electrical connection, so no sensitive electronic components are located in the harsh environment where the motor itself is located. The design requirements and test facility have been described. Several 3-D transient Maxwell electromagnetic (EM) models with different locations of three-phase linear motor windings and shutter stators have been analyzed and evolved to meet any applications allowed in the harsh environment inside the vacuum vessel of fusion reactors. The preliminary design results are presented in this article.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Ultrafast temporal phase-resolved nonlinear optical spectroscopy in the molecular frame

In an ultrafast nonlinear optical interaction, the electric field of the emitted nonlinear signal provides direct access to the induced nonlinear transient polarization or transient currents and thus carries signatures of ultrafast dynamics in a medium. Measurement of the electric field of such signals offers sensitive observables to track ultrafast electron dynamics in various systems. In this work, we resolve the real-time phase of the electric field of a femtosecond third-order nonlinear optical signal in the molecular frame. The electric field emitted from impulsively pre-aligned gas-phase molecules at room temperature, in a degenerate four-wave mixing scheme, is measured using a spectral interferometry technique. The nonlinear signal is measured around a rotational revival to extract its molecular-frame angle dependence from pump-probe time-delay scans. By comparing these measurements for two linear molecules, carbon dioxide and nitrogen, we show that the measured second-order phase parameter (temporal chirp) of the signal is sensitive to the valence electronic symmetry of the molecules, whereas the amplitude of the signal does not show such sensitivity. We compare measurements to theoretical calculations of the chirp observable in the molecular frame. This work is an important step towards using electric field measurements in nonlinear optical spectroscopy to study ultrafast dynamics of electronically excited molecules in the molecular frame.

47 OTHER INSTRUMENTATION↗
NASA NTRS1979

Deep-level transient spectroscopy studies of Ni- and Zn-diffused vapor-phase-epitaxy n-GaAs

The paper presents deep-level transient spectroscopy studies of Ni- and Zn-diffused vapor-phase epitaxy n-GaAs. Nickel diffused into VPE n-GaAs reduces the hole diffusion length L sub p from 4.3 to 1.1 microns. Deep-level transient spectroscopy was used to identify energy levels in Ni-diffused GaAs; the as-grown VPE GaAs contains traces of these levels and an electron trap. Ni diffusion reduces the concentration of this level by an amount that matches the increase in concentration of each of the two Ni-related levels. A technique for measuring minority-carrier capture cross sections was developed, which indicates that L sub p in Ni-diffused VPE n-GaAs is controlled by the E sub c - 0.39 eV defect level.

Partin, D. L.↗
NASA NTRS1979

Siple station experiments on wave-particle interactions in the magnetosphere

Natural and controlled whistler-mode signals have been used to study nonlinear mechanisms of wave growth and wave-wave interactions (WWI) in the magnetosphere; three general classes of WWI (triggering, suppression, and entrainment) are identified and interpreted in terms of a model based on cyclotron resonance interaction. This model is also used to estimate the wave field intensity associated with different types of WWI. A new type of triggered emission, the band-limited impulse (BLI) is interpreted in terms of the switching of phase-bunched currents. In addition, an experiment to find a threshold for the excitation of the coherent wave instability is discussed, and observed VLF wave-induced transient bursts of X-rays, light and E-region ionization enhancements are considered with regard to a step function wave interacting with all resonant electrons in a given energy range.

Helliwell, R. A.↗
NASA NTRS1986

The evolution and growth of Al2O3 scales on beta-NiAl

The formation and growth of Al2O3 scales on (beta)-NiAl were studied using electron microscopy and other analytical techniques to gain an understanding of the oxidation properties of (beta)-NiAl and of alumina-forming alloys, in general. The transient and mature stages of oxidation were studied as well as the transformation stage during which the oxide scale transforms from metastable Al2O3 phases to the thermodynamically stable alpha-Al2O3 phase. The transient oxidation stages were studied at 800 deg C and for short times at 1100C. At 800C, the scales consist predominantly of delta-Al2O3 which forms by cation vacancy ordering in the defective spinel lattice of gamma-Al2O3. At 1100C, a fast-growth morphology of theta-Al2O3 forms as a surface layer over delta-Al2O3. For both oxidation temperatures, the scales are often epitaxially oriented with respect to the metal. The transient scales grow by outward cation diffusion as evidenced by surface growth morphologies. The transformation to alpha-Al2O3 occurs within 1 hour at 1100C by a nucleation and radial growth process. The large volume decrease associated with the transformation results in a highly strained alpha-Al2O3 microstructure. A change in scale growth mechanism from outward cation to inward anion diffusion allows transient surface morphologies to be smoothed by surface diffusion. The mature stage of oxidation involves the growth of an alpha-Al2O3 scale having the lacey morphology formed as a result of the gamma yields alpha transformation. Growth of the scale occurs by counterdiffusion along grain boundaries resulting in ridges formed by impingement of alpha-Al2O3 nuclei during the transformation stage. Also scale growth occurs by inward oxygen diffusion through healed cracks; the cracks result from transformation stresses. The measured growth rates of scales having the lacey morphology are an order of magnitude less than fine-grained alpha-Al2O3 scales. Metal orientations were found to have a large effect on oxide morpholoies during all stages of oxidation.

Doychak, J. K.↗
NASA NTRS1985

Accurate quantum yields by laser gain vs absorption spectroscopy - Investigation of Br/Br(asterisk) channels in photofragmentation of Br2 and IBr

Various techniques have been used to study photodissociation dynamics of the halogens and interhalogens. The quantum yields obtained by these techniques differ widely. The present investigation is concerned with a qualitatively new approach for obtaining highly accurate quantum yields for electronically excited states. This approach makes it possible to obtain an accuracy of 1 percent to 3 percent. It is shown that measurement of the initial transient gain/absorption vs the final absorption in a single time-resolved signal is a very accurate technique in the study of absolute branching fractions in photodissociation. The new technique is found to be insensitive to pulse and probe laser characteristics, molecular absorption cross sections, and absolute precursor density.

Haugen, H. K.↗
NASA NTRS1986

Sensitivity analysis of discrete structural systems

Methods for calculating sensitivity derivatives for discrete structural systems are surveyed, primarily covering literature published during the past two decades. Methods are described for calculating derivatives of static displacements and stresses, eigenvalues and eigenvectors, transient structural response, and derivatives of optimum structural designs with respect to problem parameters. The survey is focused on publications developed in nonstructural fields such as electronics, controls, and physical chemistry which are directly applicable to structural problems. Most notable among the nonstructural-based methods are the adjoint variable technique from control theory, and the Green's function and FAST methods from physical chemistry.

Adelman, H. M.↗
NASA NTRS1990

Natural vacuum electronics

The ambient natural vacuum of space is proposed as a basis for electron valves. Each valve is an electron controlling structure similiar to a vacuum tube that is operated without a vacuum sustaining envelope. The natural vacuum electron valves discussed offer a viable substitute for solid state devices. The natural vacuum valve is highly resistant to ionizing radiation, system generated electromagnetic pulse, current transients, and direct exposure to space conditions.

Leggett, Nickolaus↗
NASA NTRS2016

Resources for Radiation Test Data

The performance of electronic devices in a space radiation environment is often limited by susceptibility to single-event effects (SEE), total ionizing dose (TID), and displacement damage (DD). Interpreting the results of SEE, TID, and DD testing of complex devices is quite difficult given the rapidly changing nature of both technology and the related radiation issues. Radiation testing is performed to establish the sensitivities of candidate spacecraft electronics to single-event upset (SEU), single-event latchup (SEL), single-event gate rupture (SEGR), single-event burnout (SEB), single-event transients (SETs), TID, and DD effects. Knowing where to search for these test results is a valuable resource for the aerospace engineer or spacecraft design engineer. This poster is intended to be a resource tool for finding radiation test data.

Single Event Effects (SEE)↗
DOE OSTI2016

Origin and annealing of deep-level defects in GaNAs grown by metalorganic vapor phase epitaxy

Deep-level defects were investigated by deep level transient spectroscopy on the as-grown and annealed GaNAs layers of various nitrogen (N) contents. The unintentionally doped (uid) GaNAs layers were grown by metalorganic vapor phase epitaxy with N = 1.4%, 2.0%, 2.2%, and 2.4% on GaAs substrate. The possible origin and evolution of the deep-level defects upon annealing were analyzed with the use of the GaNAs band gap diagram concept [Kudrawiec et al., Appl. Phys. Lett. 101, 082109 (2012)], which assumes that the activation energy of donor traps decreases with N-related downward shift of the conduction band. On the basis of this diagram and in comparison with previous results, the N-related traps were associated with (N−As){sub As} or (N−N){sub As} split interstitials. It was also proposed that one of the electron traps and the hole trap, lying at the same level position in the bandgap of the annealed uid-GaNAs layers, can both act as one generation-recombination center partially responsible for poor optical properties of this alloy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRSDate not supplied

Development and Application of Weld Track Thermal Analysis for the Exploration Extravehicular Mobility Unit

NASA is studying the next generation of space suit for safe operations in space, from the International Space Station to the lunar surface as part of the Exploration Extravehicular Mobility Unit project. The backplate structure of the portable life support system (PLSS) serves as the attachment point for assembly of the PLSS and contains embedded cooling channels. The thermal loop plumbing assembly and backplate are combined into a single component such that the fluid lines run through the midplane of the backplate. The manufacturing of the Ti-6Al-4V backplate consists of machining channels into a plate, welding cover plates on each channel using an electron beam, and additional machining for excess material removal and final detail. Careful control of the electron beam weld process is necessary to completely seal cover plates, produce consistent weld tracks, and produce channels with uniform cross sections free of debris and defects. The backplate contains multiple weld channels with unique geometries. The weld process parameters include choosing the beam current and focus, accelerating voltage, travel speed, pause times between weld tracks, and sequence of weld tracks. A transient finite element thermal analysis was developed to provide support for choosing and controlling the weld process parameters to maintain a consistent melt pool along each of the weld tracks. A moving distributed heat source is modeled to represent the heat input generated by the electron beam. The heat source model is a critical input to the analysis for accurate temperature predictions during the weld process. A modified conical heat source was developed to account for the change in working distance between the backplate and cover plates. The geometry of the material being welded must be accounted for by the heat source model to define the correct energy input. The weld process control is designed according to the predicted thermal history and melt pool dimensions for each of the weld channels. The analysis model, modified heat source, temperature and melt pool predictions, application of the thermal data to the weld parameters, and comparison with micrograph cross-sections from weld trials will be discussed in this presentation.

Electron Beam Welding↗
NASA NTRS2015

High-Temperature, Wirebondless, Ultracompact Wide Bandgap Power Semiconductor Modules

Silicon carbide (SiC) and other wide bandgap semiconductors offer great promise of high power rating, high operating temperature, simple thermal management, and ultrahigh power density for both space and commercial power electronic systems. However, this great potential is seriously limited by the lack of reliable high-temperature device packaging technology. This Phase II project developed an ultracompact hybrid power module packaging technology based on the use of double lead frames and direct lead frame-to-chip transient liquid phase (TLP) bonding that allows device operation up to 450 degC. The new power module will have a very small form factor with 3-5X reduction in size and weight from the prior art, and it will be capable of operating from 450 degC to -125 degC. This technology will have a profound impact on power electronics and energy conversion technologies and help to conserve energy and the environment as well as reduce the nation's dependence on fossil fuels.

Elmes, John↗
DOE OSTI2016

A physical model for the reverse leakage current in (In,Ga)N/GaN light-emitting diodes based on nanowires

We investigated the origin of the high reverse leakage current in light emitting diodes (LEDs) based on (In,Ga)N/GaN nanowire (NW) ensembles grown by molecular beam epitaxy on Si substrates. To this end, capacitance deep level transient spectroscopy (DLTS) and temperature-dependent current-voltage (I-V) measurements were performed on a fully processed NW-LED. The DLTS measurements reveal the presence of two distinct electron traps with high concentrations in the depletion region of the p-i-n junction. These band gap states are located at energies of 570 ± 20 and 840 ± 30 meV below the conduction band minimum. The physical origin of these deep level states is discussed. The temperature-dependent I-V characteristics, acquired between 83 and 403 K, show that different conduction mechanisms cause the observed leakage current. On the basis of all these results, we developed a quantitative physical model for charge transport in the reverse bias regime. By taking into account the mutual interaction of variable range hopping and electron emission from Coulombic trap states, with the latter being described by phonon-assisted tunnelling and the Poole-Frenkel effect, we can model the experimental I-V curves in the entire range of temperatures with a consistent set of parameters. Our model should be applicable to planar GaN-based LEDs as well. Furthermore, possible approaches to decrease the leakage current in NW-LEDs are proposed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

A comprehensive study of the impact of dislocation loops on leakage currents in Si shallow junction devices

In this work, the electrical properties of dislocation loops and their role in the generation of leakage currents in p-n or Schottky junctions were investigated both experimentally and through simulations. Deep Level Transient Spectroscopy (DLTS) reveals that the implantation of silicon with 2 × 10{sup 15} Ge cm{sup −2} and annealing between 1000 °C and 1100 °C introduced two broad electron levels E{sub C} − 0.38 eV and E{sub C} − 0.29 eV in n-type samples and a single broad hole trap E{sub V} + 0.25 eV in the p-type samples. These trap levels are related to the extended defects (dislocation loops) formed during annealing. Dislocation loops are responsible for the significant increase of leakage currents which are attributed to the same energy levels. The comparison between structural defect parameters and electrical defect concentrations indicates that atoms located on the loop perimeter are the likely sources of the measured DLTS signals. The combined use of defect models and recently developed DLTS simulation allows reducing the number of assumptions and fitting parameters needed for the simulation of leakage currents, therefore improving their predictability. It is found that simulations based on the coupled-defect-levels model reproduce well the measured leakage current values and their field dependence behaviour, indicating that leakage currents can be successfully simulated on the exclusive basis of the experimentally observed energy levels.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Structure and Photophysics of Indigoids for Singlet Fission: Cibalackrot

Here, we report an investigation of structure and photophysics of thin layers of cibalackrot, a sturdy dye derived from indigo by double annulation at the central double bond. Evaporated layers contain up to three phases, two crystalline and one amorphous. Relative amounts of all three have been determined by a combination of X-ray diffraction and FT-IR reflectance spectroscopy. Initially, excited singlet state rapidly produces a high yield of a transient intermediate whose spectral properties are compatible with charge-transfer nature. This intermediate more slowly converts to a significant yield of triplet, which, however, does not exceed 100% and may well be produced by intersystem crossing rather than singlet fission. The yields were determined by transient absorption spectroscopy and corrected for effects of partial sample alignment by a simple generally applicable procedure. Formation of excimers was also observed. Here, in order to obtain guidance for improving molecular packing by a minor structural modification, calculations by a simplified frontier orbital method were used to find all local maxima of singlet fission rate as a function of geometry of a molecular pair. The method was tested at 48 maxima by comparison with the ab initio Frenkel-Davydov exciton model.

14 SOLAR ENERGY↗