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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Vapor and Liquid ( p –ρ– T–x ) Measurements of Binary Refrigerant Blends Containing R-32, R-152a, R-227ea, R-1234yf, and R-1234ze(E)

In this article, The pressure–density–temperature–composition (p–ρ–T–x) data of binary refrigerant mixtures containing R-32 (difluoromethane), R-152a (1,1,-difluoroethane), R-227ea (1,1,1,2,3,3,3-heptafluoropropane), R-1234yf (2,3,3,3-tetrafluoropropene), and R-1234ze(E) (trans-1,3,3,3-tetrafluoropropene) were measured in both the vapor and liquid phases using a two-sinker, magnetic suspension densimeter. The specific samples in this study comprised two compositions of approximately (0.3/0.7) and (0.7/0.3) mole fraction for each of the following four binary refrigerant blends: R-32 + R-1234yf, R-32 + R-1234ze(E), R-1234yf + R-152a, and R-1234ze(E) + R-227ea. Single-phase vapor densities were measured over a temperature range of approximately 253 to 293 K and pressures from 0.05 to 0.98 MPa. Single-phase liquid and supercritical densities were measured over a temperature range of approximately 230 to 400 K and pressures up to 22 MPa; for refrigerant blends containing R-1234yf, the maximum pressure was limited to 14 MPa. Overall relative combined, expanded (k = 2) uncertainties in density ranged from 0.025 to 0.191%, with an average uncertainty of approximately 0.05%. Here, we present measurement results, along with comparisons to available literature data and to default equations of state and mixture models included in REFPROP.

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

Organic-Inorganic Reaction of Li-Containing thin film: Structure of Lithium Propane Dioxide via MLD

In combining organometallic with organic precursors, molecular layer deposition (MLD) offers not only an expanded portfolio of molecular combinations but specifically the possibility of tuning mechanical properties for more robust functionality. This is appealing for applications in energy storage, where ion transport in and out of electrodes causes significant stress/strain cycling. It is particularly opportune for Li-ion solid state batteries (LISSBs), where electrode and solid electrolyte structures are usually arranged densely for high power and energy. Despite diverse MLD applications to date, little prior research has been aimed at Li-containing MLD materials and processes. Here, we report the MLD growth and process for a lithium-containing organic thin film using lithium tert-butoxide (LiO t Bu) and 1,3-propanediol, leading to an MLD film of lithium propane dioxide, Li 2 O 2 C 3 H 6 (LPDO), identified through X-ray photoelectron spectroscopy (XPS) and ab initio calculations. The growth showed self-limiting behavior for both precursors, with significant nucleation delay before linear growth at 0.23 Å/cycle at 150 °C, and 0.15 Å/cycle at 200 °C. XPS-determined stoichiometry was Li 1.6 O 2.2 C 3 H 6 at both 150 and 200 °C, while additional species, presumably from incomplete reaction, were found at 100 °C, leading to a notably higher (0.84 Å/cycle) growth rate. The LPDO film showed crystallinity and high surface roughness when grown on the crystalline substrate, while on the amorphous substrate, an amorphous LPDO film with low surface roughness was observed. In addition, high air sensitivity of LPDO film was observed, with Li propyl carbonate and Li carbonate formation under air exposure. Further modification strategies were proposed in order to achieve a MLD or atomic layer deposition-/MLD-based solid electrolyte material.

25 ENERGY STORAGE↗
DOE OSTI2022

Multifunctional Thiol-Containing Additives for Improved Photoluminescence and Photovoltaic Performance of Cs 0.15 FA 0.85 PbI 3 Perovskites

Thiol containing molecules as both interfacial surface ligands and additives are promising modulators for enhancing photoluminescence (PL) properties, stability, and photovoltaic (PV) performance of metal halide perovskites. However, alkanethiols are much more effective for improving photoluminescence (PL) intensity and stability in metal halide perovskite nanocrystals than in their thin film analogues. Herein, we investigate how additional functional groups on a pyrimidine core can alter thiol reactivity and influence the PL, stability, and PV performance of organic metal halide perovskites. Through an investigation of five different pyrimidine derivatives, it is shown that all derivatives containing thiol groups form thiolates in the presence of the perovskite precursors and increase the photoluminescence intensity of the perovskite film. The largest all-around improvement to the PL intensity, stability, and photovoltaic performance of Cs 0.15 FA 0.85 PbI 3 perovskites is realized through the addition of a hydroxyl group combined with a trifluoromethyl group to form 4-hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol. Furthermore, this investigation helps illuminate how combinations of functional groups can be employed to further increase the beneficial effects over monofunctional additives in organic metal halide perovskites.

14 SOLAR ENERGY↗
DOE OSTI2024

Leveraging Triphenylphosphine-Containing Polymers to Explore Design Principles for Protein-Mimetic Catalysts

Complex interactions between noncoordinating residues are significant yet commonly overlooked components of macromolecular catalyst function. While these interactions have been demonstrated to impact binding affinities and catalytic rates in metalloenzymes, the roles of similar structural elements in synthetic polymeric catalysts remain underexplored. Using a model Suzuki–Miyuara cross-coupling reaction, we performed a series of systematic studies to probe the interconnected effects of metal–ligand cross-links, electrostatic interactions, and local rigidity in polymer catalysts. To achieve this, a novel bifunctional triphenylphosphine acrylamide (BisTPPAm) monomer was synthesized and evaluated alongside an analogous monofunctional triphenylphosphine acrylamide (TPPAm). In model copolymer catalysts, increased initial reaction rates were observed for copolymers untethered by Pd complexation (BisTPPAm-containing) compared to Pd-cross-linked catalysts (TPPAm-containing). Further, incorporating local rigidity through secondary structure-like and electrostatic interactions revealed nonmonotonic relationships between composition and the reaction rate, demonstrating the potential for tunable behavior through secondary-sphere interactions. Lastly, through rigorous cheminformatics featurization strategies and statistical modeling, we quantitated relationships between chemical descriptors of the substrate and reaction conditions on catalytic performance. Collectively, these results provide insights into relationships among the composition, structure, and function of protein-mimetic catalytic copolymers.

Catalysts↗
DOE OSTI2014

Structural and Biochemical Basis for Ubiquitin Ligase Recruitment by Arrestin-related Domain-containing Protein-3 (ARRDC3)

After protracted stimulation, the β2-adrenergic receptor and many other G-protein-coupled receptors are ubiquitinated and down-regulated. Arrestin-related domain-containing protein-3 (ARRDC3) has been proposed to recruit the ubiquitin ligase Nedd4 to the β2-adrenergic receptor. ARRDC3 contains two PPXY motifs that could potentially interact with any of the four WW domains of Nedd4. Here we dissect the interaction determinants. ARRDC3 PPXY-Nedd4 WW dissociation constants vary from unmeasurable to K d = 3 μM for the third WW domain of Nedd4 binding to the first PPXY motif of ARRDC3. Structures of the uncomplexed and PPXY 1 -bound WW3 domain were determined at 1.1 and 1.7 Å resolution. The structures revealed conformational changes upon binding and the hydrogen bonding network in exquisite detail. Tight packing of ARRDC3 Val-352', part of a 3 10 helix at the C terminus of PPXY 1 , is important for high affinity binding to WW3. Although no single WW domain is strictly essential for the binding of Nedd4 and ARRDC3 expressed in HEK293 cells, high affinity binding of full-length ARRDC3 and Nedd4 is driven by the avid interaction of both PPXY motifs with either the WW2-WW3 or WW3-WW4 combinations, with K d values as low as 300 nM.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Search for supersymmetry in a final state containing two photons and missing transverse momentum in ${\sqrt{s}}$ = 13 TeV $pp$ collisions at the LHC using the ATLAS detector

A search has been made for supersymmetry in a final state containing two photons and missing transverse momentum using the ATLAS detector at the Large Hadron Collider. The search makes use of 3.2fb -1 of proton-proton collision data collected at a centre-of-mass energy of 13 TeV in 2015. Using a combination of data-driven and Monte-Carlo-based approaches, the Standard Model background is estimated to be 0.27$-0.10\atop{+0.22}$ events. No events are observed in the signal region; considering the expected background and its uncertainty, this observation implies a model-independent 95 % CL upper limit of 0.93 fb (3.0 events) on the visible cross section due to physics beyond the Standard Model. In the context of a generalized model of gauge-mediated supersymmetry breaking with a bino-like next-to-lightest supersymmetric particle, this leads to a lower limit of 1650 GeV on the mass of a degenerate octet of gluino states, independent of the mass of the lighter bino-like neutralino.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Process for enhanced production of desired hydrocarbons from biologically-derived compounds and bio-oils containing cyclic compounds by opening of aromatics and naphthenic ring-containing compounds

A system and process for processing biologically-derived compounds or a complex bio-oil by converting cyclic compounds in a complex bio-oil or biologically-derived compounds to desired materials such as high molecular weight paraffins with minimal carbon loss by using a ring-contraction catalyst to selectively produce C5 ring containing compounds; and then reacting the C5 ring containing compounds with a C5 ring opening catalyst in a second reactor to minimize carbon loss via cracking reactions.

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

Containers and refractory metal coating therefore for containing radioactive materials

Fabricating structural components for a spent nuclear fuel container using the steps of forming cylindrical or rectangular channels to produce a structural component for a spent nuclear fuel container and applying a coating that includes tantalum-based material to the cylindrical or rectangular channels.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2009

NASA Engineering and Safety Center Technical Bulletin No. 09-05: Self-Contained Oxygen Generator: Effects of Organic Contamination, Briquette Fracturing, Pressure Containment, and Variations in Chemical Composition

A Self-Contained Oxygen Generator (SCOG) produces breathable oxygen (O 2 ) by using chemically-reactive briquettes that begin producing O 2 when mechanically ignited. Contamination with organic material of, or manufacturing defects in, the briquettes have been shown to lead to conditions that can cause an explosive failure

Self Contained Oxygen Generator↗
DOE OSTI2020

Recent Advances in the Understanding of Boron-Containing Catalysts for the Selective Oxidation of Alkanes to Olefins

The production of ethylene and propylene through aerobic alkane oxidation without significant coproduction of CO and CO 2 (CO x ) presents a challenge to academic and industrial researchers alike. Recently, boron-containing materials such as hexagonal boron nitride (hBN) have been identified as active and selective catalysts for the oxidative dehydrogenation (ODH) of propane to propylene with minimal CO x selectivity. Additionally, high olefin selectivity is also obtained in the oxidation of other alkanes and other materials such as metal borides and supported B/SiO 2 have been successfully applied to this transformation. Here, recent advances in the understanding of these catalysts in the oxidation of light alkanes are presented here providing a framework for further study of this exciting field.

03 NATURAL GAS↗
DOE OSTI2015

The microstructure and mechanical properties of Al-containing 9Cr ODS ferritic alloy

In this study, a 9Cr oxide-dispersion strengthened (ODS) alloy with additional corrosion resistant element Al was fabricated by mechanical alloying (MA) and hot pressing (HP) to explore the impact of Al on the microstructure and mechanical property of a 9Cr ODS alloy. It is found that the Al completely dissolved into the FeeCr matrix after milling for 30 h. The minor phases in the Al-containing 9Cr ODS ferritic alloy were investigated by a high-energy X-ray, and were identified to be orthorhombic-YAlO3 (YAP), bcc-Y3Al5O12 (YAG), monoclinic-Al2Y4O9 (YAM), and hexagonal-YAlO3 (YAH). These phases were further confirmed by selected area diffraction pattern (SADP), energy dispersive spectroscopy (EDS), and high resolution transmission electron microscopy (HRTEM). In addition, their volume fractions were also calculated from the integrated intensities. According to the analysis of the particles and their formation sequences, the larger particles (greater than 100 nm) are identified as mainly YAG and Al2O3 particles, while the particles with small size (less than 30 nm) are likely primarily YAM, YAH, and YAP particles. The yielding strength (YS) and ultimate tensile strength (UTS) at RT are 563 MPa and 744 MPa, respectively, while the YS and UTS at 700 C are 245 MPa and 276 MPa, respectively. Although the addition Al in ODS alloys decreases the strength at RT, the values at high temperature are similar to those obtained for 9Cr ODS alloys strengthened by fine YeTieO particles.

Microstructure↗
DOE OSTI2014

Synthesis, characterization and magnetic properties of a manganese (II) silicate containing frustrated S=5/2 zig–zag ladders

The hydrothermal synthesis, structural characterization and magnetic properties of a manganese silicate with ideal formula of NaMn{sub 2}Si{sub 3}O{sub 8}(OH) is reported. This compound is a synthetic analog to the naturally occurring mineral Serandite. The crystal structure comprises MnO{sub 6} octahedra and SiO{sub 4} tetrahedra. The MnO{sub 6} share four edges with neighboring octahedra forming double chains. These chains are connected by silicate chains Si{sub 3}O{sub 8}(OH) resulting in an open framework structure with six-member ring channels where sodium ions are located. From the magnetic point of view, the intra-chain exchange between neighboring S=5/2 manganese ions is weak, partly due to the distortion observed in the octahedra, but also due to the frustrated topology of the chain. A successful fitting of the magnetic susceptibility was obtained by considering a double chain numerical model with Monte Carlo derived empirical parameters. -- Graphical abstract: A manganese silicate prepared hydrothermally with formula NaMn{sub 2}Si{sub 3}O{sub 8}(OH) possessing the structure of the mineral Serandite contains doubled chains of edge-sharing MnO{sub 6} octahedra. The magnetic susceptibility was measured and shows an antiferromagnetic behavior. Highlights: • Characterization of a synthetic analog to the mineral Serandite: NaMn{sub 2}Si{sub 3}O{sub 8}(OH). • Fitting of the magnetic susceptibility considering a classical regular chain. • Weak metal–oxygen–metal super-exchange interactions; antiferromagnetic in nature. • Elevated degree of frustration along the chain, without sign of interchain ordering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Electrochromic performance of nanocomposite nickel oxide counter electrodes containing lithium and zirconium

Nickel oxide materials are suitable for counter electrodes in complementary electrochromic devices. The state-of-the-art nickel oxide counter electrode materials are typically prepared with multiple additives to enhance peformance. Herein, nanocomposite nickel oxide counter electrodes were fabricated via RF magnetron co-sputtering from Ni-Zr alloy and Li2O ceramic targets. The as-deposited nanocomposite counter electrodes were characterized with inductively coupled plasma mass spectrometry (ICP-MS), scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), and X-ray absorption spectroscopy (XAS). It was found that the stoichiometry, crystal structure and electronic structure of the nickel oxide-based materials could be readily tuned by varying the Li2O sputter deposition power level. Comprehensive electrochromic evaluation demonstrated that the performance of the nickel oxide-based materials was dependent on the overall Li stoichiometry. Overall, the nanocomposite nickel oxide counter electrode containing lithium and zirconium synthesized with a Li2O deposition power of 45 W exhibited the optimal performance with an optical modulation of 71% and coloration efficiency of 30 cm2/C at 670 nm in Li-ion electrolyte.

36 MATERIALS SCIENCE↗