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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Multicomponent Nanoparticle Synthesis for Advanced Manufactured Melt Wire Development

Additive manufacturing (AM) based direct-write technologies have emerged as a predominant enabler for the fabrication of advanced passive sensors in-pile applications. This work continues previous efforts with the modification and optimization of synthesis methods for multi-component nanoparticle systems used to support the development, fabrication and testing of AM sensors for peak temperature detection. For this report, bismuth, bismuth/platinum, tin, tin/silver, tin/zinc, indium, and indium/silver bi-metallic nanoparticles were synthesized using the wet chemical methods. The nanoparticles were then characterized with x-ray fluorescence to evaluate the elemental composition and differential scanning to determine the melting point and mass loss of the samples. Results continue to show that bi-metallic nanoparticles are a viable pathway for the fabrication of high-resolution AM melt wires.

36 MATERIALS SCIENCE↗
NASA NTRS2020

Freeze-Thaw Cycling as a Chemical Weathering Agent on a Cold and Icy Mars

Liquid water was abundant on early Mars, but whether the climate was warm and wet or cold and icy with punctuated periods of melting is still poorly understood. Modern climate models for Mars tend to predict a colder, icier early climate than previously imagined. In addition, ice and glaciation have been major geologic agents throughout the later Hesperian and Amazonian eras. One process that can act in such climates is repeated freezing and thawing of water on the surface and in the subsurface, and is significant because it can occur anywhere with an active layer and could have persisted for a time after liquid water was no longer stable on Mars’ surface. As freeze-thaw is the dominant mechanical weathering process in most glacial/periglacial terrains, it was likely a significant geomorphologic driver at local to regional scales during past climates, and would potentially have been most active when day-average surface temperatures exceeded 0 °C for part of the year. Indeed, freeze-thaw involving liquid water in the Amazonian is evidenced by abundant geomorphic features including polygonal ground and solifluction lobes requiring seasonal thawing. In addition to physical modification, freezing can drive solutions towards supersaturation and force dissolved solutes out as precipitates. In Mars-like terrains, dissolved solutes are typically dominated by silica. In polar regions on Earth, freeze-thaw cycles have been shown to promote deposition of silica, and freeze-thaw experiments on synthetic solutions found stable amorphous silica that built up over multiple cycles. Freeze-thaw may therefore be an important but overlooked chemical weathering process on Mars. However, our ability to assess its impact on alteration of martian terrains is majorly limited by the current lack of understanding of the alteration phases produced (and formation rates) under controlled freeze-thaw weathering of Mars-relevant materials. To address this knowledge gap, we report results from (1) freeze-thaw weathering products found at a glacial Mars analog site at the Three Sisters, Oregon, and (2) new controlled freeze-thaw experiments on basaltic material.

Scudder, N. A.↗
DOE OSTI2024

Long-term relaxation of orientational disorder and structural modifications in molecular nitrogen at high pressure

Up to 17 GPa, the crystalline phases of N 2 are characterized by pronounced orientational disorder, whereas the higher-pressure phases of molecular N 2 are ordered. This raises the question about long-term relaxation of orientational disorder within the low- to intermediate-pressure regime. Here, in this study, this question is addressed by comparing synthetic with natural, chemically pure, solid N 2 that resides as inclusions in diamonds at 300 K for about 10 8 years at pressures up to 11 GPa. It is shown that disorder prevails at 8.7 GPa, 300 K, where both synthetic and natural N 2 assume the same structure. However, at 10.8 GPa, natural solid N 2 exhibits monoclinic distortion and partial orientational ordering of the molecules, both of which are not observed in synthetic material. This difference is interpreted as the result of long-term structural relaxation. The ordering mechanism is examined and placed into the context of the δ- to ε-N 2 transition. We present explanations for the absence of complete ordering of δ-N 2 .

Tschauner, Oliver↗
DOE OSTI2023

Probing supersymmetric black holes with surface defects

It has long been conjectured that the large N deconfinement phase transition of $\mathcal{N}$ = 4 SU(N) super-Yang-Mills corresponds via AdS/CFT to the Hawking-Page transition in which black holes dominate the thermal ensemble, and quantitative evidence of this has come through the recent matching of the superconformal index of $\frac{1}{16}$-BPS states to the supersymmetric black hole entropy. Here we introduce the half-BPS Gukov-Witten surface defect as a probe of the superconformal index, which also serves as an order parameter for the deconfinement transition. This can be studied directly in field theory as a modification of the usual unitary matrix model or in the dual description as a D3-brane probe in the background of a (complex) supersymmetric black hole. Using a saddle point approximation, we determine our defect index in the large N limit as a simple function of the chemical potentials and show independently that it is reproduced by the renormalized action of the brane in the black hole background. Along the way, we also comment on the Cardy limit and the thermodynamics of the D3-brane in the generalized ensemble. The defect index sharply distinguishes between the confining and the deconfining phases of the gauge theory and thus is a supersymmetric non-perturbative order parameter for these large N phase transitions which deserves further investigation. Finally, our work provides an example where the properties of a black hole coupled to an external system can be analyzed precisely.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Improved Protein Semi-Synthesis Enables Biophysical Studies of Thioamide Destabilization of β-Sheet Interactions

Abstract Thioamides are natural post-translational modifications of the peptide backbone and can be introduced synthetically to probe protein folding or functionalize peptides for translational applications. In this work, we demonstrate that thioamide-containing peptides with C-terminal thioesters can be efficiently generated using Knorr pyrazole activation and used in subsequent native chemical ligation reactions to generate thioamide-containing proteins. We compare this method to acyl azide activation and find that both routes provide similar yields. We also investigate ultrasound-mediated desulfurization of the ligation site cysteine for potential advantages over chemical radical initiators. Scaling up our syntheses allows us to study thioamide perturbations to the β-sheet region of the B1 domain of protein G (GB1) as well as β-strand interactions in amyloid fibrils of the Parkinson’s disease protein α-synuclein. In both contexts, we observe dramatic destabilization of the β-sheet networks, manifested in decreased GB1 thermal stability and altered folding and slowed aggregation of α-synuclein. These findings illustrate the impact that a single atom substitution can have on cooperative hydrogen-bonding networks and prompt future study of both systems.

Yanagawa, Evan S. K. [University of Pennsylvania ,↗
DOE OSTI2024

Enhanced charge carrier extraction and transport with interface modification for efficient tin-based perovskite solar cells

Interface modification improves charge carrier extraction in tin-based perovskite solar cells. Tin-based perovskites have become the most promising non-lead perovskites due to their ideal band gap and low toxicity. Although the open circuit voltage of tin-based perovskite solar cells (TPSCs) continues to approach the theoretical value, the short-circuit current is still far from the theoretical value. Here, we describe an interface modification method by regulating the property of hole transport layer, PEDOT:PSS, which improves the surface molecular morphology and the energy level alignment of PEDOT:PSS/perovskite interface. Advanced GIWAXS and IR s-SNOM characterization are conducted to achieve multi-dimensional characterization of nanoscale surface morphology and chemical distribution of PEDOT:PSS. With the multi-attribute optimization, charge carrier extraction and non-radiative recombination are also improved. The resultant TPSCs exhibit a higher power conversion efficiency of 13.32% in compared with the control device of 10.50%, accompanied with an increase in the short-circuit current from 18.10 to 20.50 mA cm −2 and FF from 68.23% to 76.43%. This work demonstrates a reliable strategy for improving charge carrier extraction and device performance for lead-free TPSCs.

Zhao, Zhenzhu↗
NASA NTRS1973

Odor intensity and characterization studies of exhaust from a turbojet engine combustor

Sensory odor tests of the exhaust from a turbojet combustor operating at simulated idle conditions were made by a human panel sniffing diluted exhaust gas. Simultaneously, samples of undiluted exhaust gas were collected on adsorbent substrates, subsequently removed by solvent flushing, and analyzed chemically by liquid chromatographic methods. The concentrations of the principal malodorous species, the aromatic (unburned fuel-related) and the oxygenated (partially burned fuel) fractions, as determined chromatographically, correlated well with the intensity of the odor as determined by sniffing. Odor intensity increased as combustion efficiency decreased. Combustor modifications which increased combustion efficiency decreased odor intensity.

Butze, H. F.↗
NASA NTRS1973

Odor intensity and characterization studies of exhaust from a turbojet engine combustor

Sensory odor tests of the exhaust from a turbojet combustor operating at simulated idle conditions were made by a human panel sniffing diluted exhaust gas. Simultaneously, samples of undiluted exhaust gas were collected on adsorbent substrates, subsequently removed by solvent flushing, and analyzed chemically by liquid chromatographic methods. The concentrations of the principal malodorous species, the aromatic (unburned fuel-related) and the oxygenated (partially burned fuel) fractions, as determined chromatographically, correlated well with the intensity of the odor as determined by sniffing. Odor intensity increased as combustion efficiency decreased. Combustor modifications which increased combustion efficiency decreased odor intensity.

Butze, H. F.↗
NASA NTRS1982

Optical signature of an ionospheric hole

Simultaneous radio and optical diagnostics of a large, artificially-induced ionospheric modification were conducted during the June 1981 launch of a weather satellite. Intensified imaging and photometer observations at 6300 A, along the same ray path as VHF polarimeter measurements of the ionosphere's total electron content (TEC), were made while the rocket plume caused disturbances. A rapid TEC chemical depletion, on the order of -16.8 x 10 to the 12th el/sq cm, caused a burst of 6300 A radiation which expanded over 60 deg of the sky, with a peak intensity of almost 9 k R. Atmospheric diffusion and O(1D) quenching rate theoretical estimates were then tested, using the event as an active space plasma experiment.

Mendillo, M.↗
NASA NTRS1984

Analytical fuel property effects--small combustors

The consequences of using broad-property fuels in both conventional and advanced state-of-the-art small gas turbine combustors are assessed. Eight combustor concepts were selected for initial screening, of these, four final combustor concepts were chosen for further detailed analysis. These included the dual orifice injector baseline combustor (a current production 250-C30 engine combustor) two baseline airblast injected modifications, short and piloted prechamber combustors, and an advanced airblast injected, variable geometry air staged combustor. Final predictions employed the use of the STAC-I computer code. This quasi 2-D model includes real fuel properties, effects of injector type on atomization, detailed droplet dynamics, and multistep chemical kinetics. In general, fuel property effects on various combustor concepts can be classified as chemical or physical in nature. Predictions indicate that fuel chemistry has a significant effect on flame radiation, liner wall temperature, and smoke emission. Fuel physical properties that govern atomization quality and evaporation rates are predicted to affect ignition and lean-blowout limits, combustion efficiency, unburned hydrocarbon, and carbon monoxide emissions.

Sutton, R. D.↗
DOE OSTI2023

Dissecting the structural heterogeneity of proteins by native mass spectrometry

Abstract A single gene yields many forms of proteins via combinations of posttranscriptional/posttranslational modifications. Proteins also fold into higher‐order structures and interact with other molecules. The combined molecular diversity leads to the heterogeneity of proteins that manifests as distinct phenotypes. Structural biology has generated vast amounts of data, effectively enabling accurate structural prediction by computational methods. However, structures are often obtained heterologously under homogeneous states in vitro. The lack of native heterogeneity under cellular context creates challenges in precisely connecting the structural data to phenotypes. Mass spectrometry (MS) based proteomics methods can profile proteome composition of complex biological samples. Most MS methods follow the “bottom‐up” approach, which denatures and digests proteins into short peptide fragments for ease of detection. Coupled with chemical biology approaches, higher‐order structures can be probed via incorporation of covalent labels on native proteins that are maintained at the peptide level. Alternatively, native MS follows the “top‐down” approach and directly analyzes intact proteins under nondenaturing conditions. Various tandem MS activation methods can dissect the intact proteins for in‐depth structural elucidation. Herein, we review recent native MS applications for characterizing heterogeneous samples, including proteins binding to mixtures of ligands, homo/hetero‐complexes with varying stoichiometry, intrinsically disordered proteins with dynamic conformations, glycoprotein complexes with mixed modification states, and active membrane protein complexes in near‐native membrane environments. We summarize the benefits, challenges, and ongoing developments in native MS, with the hope to demonstrate an emerging technology that complements other tools by filling the knowledge gaps in understanding the molecular heterogeneity of proteins.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1978

Chemical vapor deposition growth

The objective was to investigate and develop chemical vapor deposition (CVD) techniques for the growth of large areas of Si sheet on inexpensive substrate materials, with resulting sheet properties suitable for fabricating solar cells that would meet the technical goals of the Low Cost Silicon Solar Array Project. The program involved six main technical tasks: (1) modification and test of an existing vertical-chamber CVD reactor system; (2) identification and/or development of suitable inexpensive substrate materials; (3) experimental investigation of CVD process parameters using various candidate substrate materials; (4) preparation of Si sheet samples for various special studies, including solar cell fabrication; (5) evaluation of the properties of the Si sheet material produced by the CVD process; and (6) fabrication and evaluation of experimental solar cell structures, using impurity diffusion and other standard and near-standard processing techniques supplemented late in the program by the in situ CVD growth of n(+)/p/p(+) sheet structures subsequently processed into experimental cells.

Ruth, R. P.↗
NASA NTRS2004

Empirical Determination of Radiolytic Products in Simulated Europan Ices

The chemical composition of Europa's surface is strongly influenced by energetic charge particle bombardment from Jupiter's magnetosphere. Here we report on progress in experimental work designed to address: 1) The production of radiolytic products in thermodynamic disequilibrium that could be utilized by known terrestrial microorganisms, and 2) The modification of complex organic molecules and degradation of biological material by the simulated Europan surface radiation environment.

Hand, P.↗
DOE OSTI2020

Strong Valence Band Convergence to Enhance Thermoelectric Performance in PbSe with Two Chemically Independent Controls

We present an effective approach to favorably modify the electronic structure of PbSe using Ag doping coupled with SrSe or BaSe alloying. The Ag 4d states make a contribution to in the top of the heavy hole valence band and raise its energy. The Sr and Ba atoms diminish the contribution of Pb 6s2 states and decrease the energy of the light hole valence band. This electronic structure modification increases the density-of-states effective mass, and strongly enhances the thermoelectric performance. Furthermore, the Ag-rich nanoscale precipitates, discordant Ag atoms, and Pb/Sr, Pb/Ba point defects in the PbSe matrix work together to reduce the lattice thermal conductivity, resulting a record high average ZT avg of around 0.86 over 400–923 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Spectral fitting, shock layer modeling, and production of nitrogen oxides and excited nitrogen

An analysis was made of N2 emission from 8.72 MJ/kg shock layer at 2.54, 1.91, and 1.27 cm positions and vibrational state distributions, temperatures, and relative electronic state populations was obtained from data sets. Other recorded arc jet N2 and air spectral data were reviewed and NO emission characteristics were studied. A review of operational procedures of the DSMC code was made. Information on other appropriate codes and modifications, including ionization, were made as well as a determination of the applicability of codes reviewed to task requirement. A review was also made of computational procedures used in CFD codes of Li and other codes on JSC computers. An analysis was made of problems associated with integration of specific chemical kinetics applicable to task into CFD codes.

Blackwell, H. E.↗