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DOE OSTI2016

Multiple product pathways in photodissociation of nitromethane at 213 nm

In this paper, we present a photodissociation dynamics study of nitromethane at 213 nm in the π → π{sup *} transition. Resonantly enhanced multiphoton ionization spectroscopy and ion-imaging were applied to measure the internal state distributions and state-resolved scattering distributions of the CH{sub 3}, NO(X {sup 2}Π, A {sup 2}Σ{sup +}), and O({sup 3}P{sub J}) photofragments. The rotationally state-resolved scattering distribution of the CH{sub 3} fragment showed two velocity components, of which the slower one decreased the relative intensity as the rotational and vibrational excitations. The translational energy distribution of the faster CH{sub 3} fragment indicated the production of the NO{sub 2} counter-product in the electronic excited state, wherein 1 {sup 2}B{sub 2} was the most probable. The NO(v = 0) fragment exhibited a bimodal translational energy distribution, whereas the NO(v = 1 and 2) fragment exhibited a single translational energy component with a relatively larger internal energy. The translational energy of a portion of the O({sup 3}P{sub J}) photofragment was found to be higher than the one-photon dissociation threshold, indicating the two-photon process involved. The NO(A {sup 2}Σ{sup +}) fragment, which was detected by ionization spectroscopy via the Rydberg ←A {sup 2}Σ{sup +} transition, also required two-photon energy. These experimental data corroborate the existence of competing photodissociation product pathways, CH{sub 3} + NO{sub 2},CH{sub 3} + NO + O,CH{sub 3}O + NO, and CH{sub 3}NO + O, following the π → π{sup *} transition. The origins of the observed photofragments are discussed in this report along with recent theoretical studies and previous dynamics experiments performed at 193 nm.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Optical properties of nearly lattice-matched GaN/(Al,In)N quantum wells

We report a systematic study of the photoluminescence (PL) properties of a series of nearly lattice-matched (LM) GaN/(Al,In)N single quantum well (SQW) samples, with well thickness ranging from 1.5 to 5 nm, grown by metalorganic vapor phase epitaxy. Temperature dependent PL and time-resolved PL measurements reveal similar trends among the studied SQW samples, which also indicate strong localization effects. The observed PL energy behavior, akin to the S-shape, accompanied first by a narrowing and then a broadening of the PL line width with increasing temperature, closely resemble previous observations made on the more established (In,Ga)N/GaN QW system. The similar trends observed in the PL features of those two QW systems imply that the PL properties of LM GaN/(Al,In)N SQW samples are also governed by localized states. The effects of carrier transfer among these localization sites are clearly observed for the 3 nm thick QW, evidenced by an increasing PL intensity in the lower energy spectral window and a concomitant increase in the corresponding PL decay time. Time-resolved data corroborate the picture of strongly localized carriers and also indicate that above a well thickness dependent delocalization temperature carrier distribution across the localized sites reaches thermal equilibrium, as the PL decay times over different spectral regions converge to the same value. Based on the difference between the calculated QW ground state transition energy, obtained using the envelope wave function formalism, and the measured PL energy, a localization energy of at least a few hundreds of meV has been extracted for all of the studied SQW samples. This rather large value also implies that In-related localization effects are more pronounced in the GaN/(Al,In)N system with respect to those in the (In,Ga)N/GaN one for a similar In content.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

First demonstration of ARC-accelerated proton beams at the National Ignition Facility

New short-pulse kilojoule, Petawatt-class lasers, which have recently come online and are coupled to large-scale, many-beam long-pulse facilities, undoubtedly serve as very exciting tools to capture transformational science opportunities in high energy density physics. These short-pulse lasers also happen to reside in a unique laser regime: very high-energy (kilojoule), relatively long (multi-picosecond) pulse-lengths, and large (10s of micron) focal spots, where their use in driving energetic particle beams is largely unexplored. Proton acceleration via Target Normal Sheath Acceleration (TNSA) using the Advanced Radiographic Capability (ARC) short-pulse laser at the National Ignition Facility in the Lawrence Livermore National Laboratory is demonstrated for the first time, and protons of up to 18 MeV are measured using laser irradiation of >1 ps pulse-lengths and quasi-relativistic (10 18 W/cm 2 ) intensities. This is indicative of a super-ponderomotive electron acceleration mechanism that sustains acceleration over long (multi-picosecond) time-scales and allows for proton energies to be achieved far beyond what the well-established scalings of proton acceleration via TNSA would predict at these modest intensities. Furthermore, the characteristics of the ARC laser (large ~100 μ m diameter focal spot, flat spatial profile, multi-picosecond, relatively low prepulse) provide acceleration conditions that allow for the investigation of 1D-like particle acceleration. A high flux ~50 J of laser-accelerated protons is experimentally demonstrated. In conclusion, a new capability in multi-picosecond particle-in-cell simulation is applied to model the data, corroborating the high proton energies and elucidating the physics of multi-picosecond particle acceleration.

43 PARTICLE ACCELERATORS↗

DOE OSTI2012

Structural and Thermodynamic Basis for Weak Interactions between Dihydrolipoamide Dehydrogenase and Subunit-binding Domain of the Branched-chain [alpha]-Ketoacid Dehydrogenase Complex

The purified mammalian branched-chain {alpha}-ketoacid dehydrogenase complex (BCKDC), which catalyzes the oxidative decarboxylation of branched-chain {alpha}-keto acids, is essentially devoid of the constituent dihydrolipoamide dehydrogenase component (E3). The absence of E3 is associated with the low affinity of the subunit-binding domain of human BCKDC (hSBDb) for hE3. In this work, sequence alignments of hSBDb with the E3-binding domain (E3BD) of the mammalian pyruvate dehydrogenase complex show that hSBDb has an arginine at position 118, where E3BD features an asparagine. Substitution of Arg-118 with an asparagine increases the binding affinity of the R118N hSBDb variant (designated hSBDb*) for hE3 by nearly 2 orders of magnitude. The enthalpy of the binding reaction changes from endothermic with the wild-type hSBDb to exothermic with the hSBDb* variant. This higher affinity interaction allowed the determination of the crystal structure of the hE3/hSBDb* complex to 2.4-{angstrom} resolution. The structure showed that the presence of Arg-118 poses a unique, possibly steric and/or electrostatic incompatibility that could impede E3 interactions with the wild-type hSBDb. Compared with the E3/E3BD structure, the hE3/hSBDb* structure has a smaller interfacial area. Solution NMR data corroborated the interactions of hE3 with Arg-118 and Asn-118 in wild-type hSBDb and mutant hSBDb*, respectively. The NMR results also showed that the interface between hSBDb and hE3 does not change significantly from hSBDb to hSBDb*. Taken together, our results represent a starting point for explaining the long standing enigma that the E2b core of the BCKDC binds E3 far more weakly relative to other {alpha}-ketoacid dehydrogenase complexes.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2018

Fast Primary Frequency Response using Coordinated DER and Flexible Loads: Framework and Residential-scale Demonstration

Methods for supporting grid frequency stabilization using widespread flexible load and DER are becoming essential as the portion of synchronous generation decreases. This article develops a framework for providing fast primary frequency response that leverages deferrable loads and DER coordinated using high-speed measurements in real time to ensure that local objectives are met. The framework is demonstrated in a residential-scale experiment with four household appliances and an inverter. The effectiveness of an example load management algorithm is demonstrated using three underfrequency anomaly test cases. The experimental data corroborates that in all cases, the entire coordinated response, from detection and measurement of a frequency anomaly to completed coordinated net-load response, is completed within 143 ms (~8.5 cycles).

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2015

Pridopidine, a dopamine stabilizer, improves motor performance and shows neuroprotective effects in Huntington disease R6/2 mouse model

Abstract Huntington disease ( HD ) is a neurodegenerative disorder for which new treatments are urgently needed. Pridopidine is a new dopaminergic stabilizer, recently developed for the treatment of motor symptoms associated with HD . The therapeutic effect of pridopidine in patients with HD has been determined in two double‐blind randomized clinical trials, however, whether pridopidine exerts neuroprotection remains to be addressed. The main goal of this study was to define the potential neuroprotective effect of pridopidine, in HD in vivo and in vitro models, thus providing evidence that might support a potential disease‐modifying action of the drug and possibly clarifying other aspects of pridopidine mode‐of‐action. Our data corroborated the hypothesis of neuroprotective action of pridopidine in HD experimental models. Administration of pridopidine protected cells from apoptosis, and resulted in highly improved motor performance in R6/2 mice. The anti‐apoptotic effect observed in the in vitro system highlighted neuroprotective properties of the drug, and advanced the idea of sigma‐1‐receptor as an additional molecular target implicated in the mechanism of action of pridopidine. Coherent with protective effects, pridopidine‐mediated beneficial effects in R6/2 mice were associated with an increased expression of pro‐survival and neurostimulatory molecules, such as brain derived neurotrophic factor and DARPP 32, and with a reduction in the size of mHtt aggregates in striatal tissues. Taken together, these findings support the theory of pridopidine as molecule with disease‐modifying properties in HD and advance the idea of a valuable therapeutic strategy for effectively treating the disease.

Squitieri, Ferdinando↗

DOE OSTI2024

Subsampling of Parametric Models with Bifidelity Boosting

Least squares regression is a ubiquitous tool for building emulators (a.k.a. surrogate models) of problems across science and engineering for purposes such as design space exploration and uncertainty quantification. When the regression data are generated using an experimental design process (e.g., a quadrature grid) involving computationally expensive models, or when the data size is large, sketching techniques have shown promise at reducing the cost of the construction of the regression model while ensuring accuracy comparable to that of the full data. However, random sketching strategies, such as those based on leverage scores, lead to regression errors that are random and may exhibit large variability. To mitigate this issue, we present a novel boosting approach that leverages cheaper, lower-fidelity data of the problem at hand to identify the best sketch among a set of candidate sketches. This in turn specifies the sketch of the intended high-fidelity model and the associated data. We provide theoretical analyses of this bifidelity boosting (BFB) approach and discuss the conditions the low- and high-fidelity data must satisfy for a successful boosting. In doing so, we derive a bound on the residual norm of the BFB sketched solution relating it to its ideal, but computationally expensive, high-fidelity boosted counterpart. Finally, empirical results on both manufactured and PDE data corroborate the theoretical analyses and illustrate the efficacy of the BFB solution in reducing the regression error, as compared to the nonboosted solution.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Waste Glass Property Database and Data Qualification Plan

The U.S. Department of Energy vitrification facilities currently employ glass property-composition models to ensure processability of waste streams and acceptability of the final glass products. The efficiency (e.g., process flexibility, reduced down time, and reduced cost) of waste vitrification is directly tied to the size of the waste processing envelope. To increase the size of the processing envelope, a larger database was developed. The database will improve the prediction accuracy of glass properties, leading to higher waste loadings, higher waste throughput, broader process flexibility, and reduced mission life. Some of the data in this expanded database has insufficient quality assurance (QA) rigor for use in nuclear facility operation and glass qualification. A plan was developed to qualify high-value data under the appropriate QA rigor for use at the Hanford Waste Treatment and Immobilization Plant’s High-Level Waste (HLW) Facility. This qualification plan first compares the data coverage over the composition region of interest to Hanford HLW by property. Those studies that significantly improve the data coverage in the Hanford HLW glass composition region were prioritized for qualification activities. Qualification methods including QA equivalence, peer review, data corroboration, and confirmatory testing have been assigned to each high-priority study.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1976

MIUS community conceptual design study

The feasibility, practicality, and applicability of the modular integrated utility systems (MIUS) concept to a satellite new-community development with a population of approximately 100,000 were analyzed. Two MIUS design options, the 29-MIUS-unit (option 1) and the 8-MIUS-unit (option 2) facilities were considered. Each resulted in considerable resource savings when compared to a conventional utility system. Economic analyses indicated that the total cash outlay and operations and maintenance costs for these two options were considerably less than for a conventional system. Computer analyses performed in support of this study provided corroborative data for the study group. An environmental impact assessment was performed to determine whether the MIUS meets or will meet necessary environmental standards. The MIUS can provide improved efficiency in the conservation of natural resources while not adversely affecting the physical environment.

Fulbright, B. E.↗

NASA NTRS1977

Implementation of new-generation recorders/reproducers into the DSN

New-generation recorder/reproducers are being installed in the Pre/Post-Detection Recording Subsystem at DSSs 14 (Goldstone), 43 (Australia), 63 (Spain), and the JPL Compatibility Test Area CTA 21. The performance of these new-generation machines is discussed, and representative corroborating data acquired at CTA 21 are presented.

Hamilton, G. B.↗

NASA NTRS1979

Modal propagation angles in a cylindrical duct with flow and their relation to sound radiation

The angles of propagation for the wave front making up a duct mode are presented with the Mach number in the duct. Approximate equations are derived to provide simple utilitarian expressions. These expressions are valid only near the outer wall which is the most important region since the bulk of the acoustic intensity is located there. Exact solutions using Hankel functions are given in an appendix. These data corroborate the approximate solution accuracy near the outer wall. The axial propagation angle is used to infer information about the far-field radiation pattern. The resultant axial angle of propagation in the duct is shown to agree exactly with the peak of the principal lobe to far-field radiation obtained from formal radiation calculations when the Mach number is uniform everywhere. The obtained solution is extended to cover the case of different Mach numbers inside and outside the duct for which exact calculations have not been available for engine inlet configurations.

Rice, E. J.↗

NASA NTRS1984

Specular reflectance of optical-black coatings in the far infrared

Far-infrared specular reflectance spectra of seven optically black coatings near normal incidence are presented. Seven photometric spectra were obtained using eleven bandpass transmission filters in the wavelength range between 12 and 500 microns, and three interferometric spectra were obtained for corroboration. Data on the construction, thickness, and rms surface roughness of the coatings are also presented. The chemical composition of three coatings can be distinguished from that of the others by a strong absorption feature between 20 and 40 microns, which can be largely attributed to amorphous silicate material. At 100 microns, the most and least reflective coatings differ by nearly 3 orders of magnitude. Inverse relationships observed between the spectra and the roughness and thickness of the coatings led to development of a reflecting-layer model for the measured reflectance. The model successfully describes the spectra at wavelengths outside the silicate absorption, and optical constants are deduced from a nonlinear least squares fit to the data. Parametric errors are estimated by chi-square analysis, and sensitivity tests are performed to determine which parameters control reflectance in different spectral regions.

Smith, S. M.↗

NASA NTRS1987

Petrology and precursors of lithic clasts from feldspathic fragmental breccia 67975

Textures and mineral chemistry (by INAA) of five lithic clasts, including both light green and light gray clasts, from feldspathic fragmental breccia 67975 were studied. The presence of five rock types was confirmed: feldspathic microporphyritic melt breccia, metamorphosed mafic-rich melt breccia with zoned and mantled clasts, 'typical' reequilibrated lunar feldspathic granulites with granoblastic texture and homogeneous mineral chemistry, hornfels, and a recrystallized mafic-rich granulite with relict igneous texture and the composition of a ferroan anorthositic norite. The mineralogy and textural data corroborate the grouping of the light green clasts proposed by Lindstrom (1984). However, the light gray clasts do not appear to be coherent in petrologic (or chemical) characteristics; one is a plagioclase-rich, possibly monomict rock with ferroan anorthositic precursor(s), and the other represents a mixture of feldspathic granulite and ferroan anorthositic norite lithologies.

Mcgee, James J.↗

NASA NTRS1988

Ice sheet studies using synthetic aperture radar

The objective was to demonstrate the utility of synthetic aperture radar in ice sheet studies. The major advantage of SAR imagery over visible imagery is the all-weather capability of radar and the ability to specify look angle. Available digital SAR imagery over ice sheets was collected and examined both qualitatively and quantitatively using corroborative data, such as LANDSAT imagery, to confirm feature identification and interpretations. A simple scattering model will be developed to assess the relative importance of surface topography, composition, and subsurface layering to the intensity of radar backscatter. Recommendations of system parameters will be made for optimal SAR operation over ice sheets.

Bindschadler, R.↗

NASA NTRS1994

The evolution of convective storms from their footprints on the sea as viewed by synthetic aperture radar from space

SEASAT synthetic aperture radar (SAR) echoes from the sea have previously been shown to be the result of rain and winds produced by convective stroms; rain damps the surface waves and causes ech-free holes, while the diverging winds associated with downdraft generate waves and associated echoes surrounding the holes. Gust fronts are also evident. Such a snapshot from 8 July 1978 has been examined in conjunction with ground-based radar. This leads to the conclusion that the SAR storm footprints resulted from storm processes that occurred up to an hour or more prior to the snapshot. A sequence of events is discerned from the SAR imagery in which new cell growth is triggered in between the converging outflows of two preexisting cells. In turn, the new cell generates a mini-squall line along its expanding gust front. While such phenomena are well known over land, the spaceborne SAR now allows important inferences to be made about the nature and frequency of convective storms over the oceans. The storm effects on the sea have significant implications for spaceborne wind scatterometry and rainfall measurements. Some of the findings herein remain speculative because of the great distance to the Miami weather radar-the only source of corroborative data.

Atlas, David↗

NASA NTRS2000

Microtubule depolymerization normalizes in vivo myocardial contractile function in dogs with pressure-overload left ventricular hypertrophy

BACKGROUND: Because initially compensatory myocardial hypertrophy in response to pressure overloading may eventually decompensate to myocardial failure, mechanisms responsible for this transition have long been sought. One such mechanism established in vitro is densification of the cellular microtubule network, which imposes a viscous load that inhibits cardiocyte contraction. METHODS AND RESULTS: In the present study, we extended this in vitro finding to the in vivo level and tested the hypothesis that this cytoskeletal abnormality is important in the in vivo contractile dysfunction that occurs in experimental aortic stenosis in the adult dog. In 8 dogs in which gradual stenosis of the ascending aorta had caused severe left ventricular (LV) pressure overloading (gradient, 152+/-16 mm Hg) with contractile dysfunction, LV function was measured at baseline and 1 hour after the intravenous administration of colchicine. Cardiocytes obtained by biopsy before and after in vivo colchicine administration were examined in tandem. Microtubule depolymerization restored LV contractile function both in vivo and in vitro. CONCLUSIONS: These and additional corroborative data show that increased cardiocyte microtubule network density is an important mechanism for the ventricular contractile dysfunction that develops in large mammals with adult-onset pressure-overload-induced cardiac hypertrophy.

Non-NASA Center↗

NASA NTRSDate not supplied

NASA’s Space Launch System: Comprehensive Test Program Leads to Mission Success during Artemis I Flight Test

NASA’s SLS (Space Launch System) rocket had a successful first launch on Nov. 16, 2022, sending an uncrewed Orion spacecraft to the Moon on the agency’s Artemis I mission. Ten 6U CubeSats were also deployed from SLS during the mission. Orbital insertion parameters, including insertion velocity and altitude, were within hundredths and tenths of a percent from predicted values, corroborating data collected from the individual elements that showed similar performance accuracy. While launch remains the main test – and Artemis I was a true test flight – to collect data, confirm and refine computer models, and validate hardware test data, multiple test programs led up to the first flight and enabled the historic launch. Additionally, SLS was designed from the beginning to be a crew-rated launch vehicle, and teams put the astronauts who will fly on it at the forefront of the development process. This paper and presentation will cover the SLS design and development programs that led to the successful Artemis I mission, and which have set the stage to send the first astronauts back to cislunar space since the Apollo 17 crew in 1972.

John Honeycutt↗

NASA NTRSDate not supplied

Comprehensive Test Program of NASA's Space Launch System Rocket Leads to Successful Artemis Mission

John Honeycutt↗