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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Eligibility Assessment of Items in the TA-60 Rack Assembly and Alignment Complex Legacy Storage Yard

The U.S. Department of Energy, National Nuclear Security Administration, Los Alamos Field Office (NA-LA), documented and evaluated seven structures in the Technical Area 60 (TA-60) Rack Assembly and Alignment Complex (RAAC) legacy storage yard at Los Alamos National Laboratory (LANL or Laboratory) for listing in the National Register of Historic Places (National Register). This documentation and evaluation was conducted in compliance with Section 106 of the National Historic Preservation Act of 1966, as amended; the Code of Federal Regulations (36 CFR 800); the Programmatic Agreement among the U.S. Department of Energy, National Nuclear Security Administration, Los Alamos Field Office, the New Mexico State Historic Preservation Office and the Advisory Council on Historic Preservation Concerning Management of the Historic Properties at Los Alamos National Laboratory, Los Alamos New Mexico (PA)1; and A Plan for the Management of the Cultural Heritage at Los Alamos National Laboratory, New Mexico (LANL’s Cultural Resources Management Plan (2017). NA-LA makes the following National Register eligibility determinations: la cuna; the rack transporter (jeep, rack trailer, and steering dolly); the Mexia diagnostic rack; the Mexia device canister; the Mexia device mounting stand; and the Mexia target stand are eligible for listing in the National Register, and the second steering dolly is not eligible for listing in the National Register. This National Register evaluation was completed because LANL proposes to develop a consolidated waste facility in TA-60 next to the former RAAC. Across 3.56 acres, LANL proposes to construct an 8,000-square-foot, pre-engineered waste storage building; a 1,500-square-foot office/warehouse building; and 28,500 square feet of covered storage. The development will also include access control features and fencing, parking spaces, and utilities. Additionally, the Laboratory will continue to use the southern part of TA-60-0017 and reuse TA-60-0086 and TA-60-0324 in the development. The consolidated waste facility will operate as a central accumulation area—storing universal waste, mixed low-level (radioactive) waste, hazardous chemicals, and New Mexico special waste—until the waste can be shipped off site.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS2003

High Order Filter Methods for the Non-ideal Compressible MHD Equations

The generalization of a class of low-dissipative high order filter finite difference methods for long time wave propagation of shock/turbulence/combustion compressible viscous gas dynamic flows to compressible MHD equations for structured curvilinear grids has been achieved. The new scheme is shown to provide a natural and efficient way for the minimization of the divergence of the magnetic field numerical error. Standard divergence cleaning is not required by the present filter approach. For certain non-ideal MHD test cases, divergence free preservation of the magnetic fields has been achieved.

Yee, H. C.↗
DOE OSTI2025

Structure of the Majorana Clifford group

In quantum information science, Clifford operators and stabilizer codes play a central role for systems of qubits (or qudits). In this study, we study their analogs for systems composed of Majorana fermions. In this case, a crucial role is played by fermion parity symmetry, which is an unbreakable symmetry present in any system with fundamentally fermionic degrees of freedom. We prove that the subgroup of parity-preserving Majorana Cliffords can be represented by the orthogonal group over the binary field 𝔽 2 , and we show how it can be generated by braiding operators and used to construct any (even-parity) Majorana stabilizer code. We also analyze the frame potential for this so-called p-Clifford group when acting on a fixed-parity sector of the Hilbert space, proving that it is equivalent to the frame potential of the ordinary Clifford group acting on the same sector.

Computational complexity↗
NASA NTRS2010

Complex Spatial Structure in a Population of Didymopanax pittieri, A Tree of Wind-Exposed Lower Montane Rain Forest

Didymopanax pittieri is a common shade-intolerant tree colonizing treefall gaps in the elfin forests on windswept ridgecrests in the lower montane rain forests of the Cordillera de Tilarain, Costa Rica. All D. pittieri taller than > 0.5 m in a 5.2-ha elfin forested portion of a gridded study watershed in the Monteverde Cloud Forest Preserve were located, mapped, and measured. This local population of D. pittieri is spatially inhomogeneous, in that density increases with increasing wind exposure; D. pittieri are more abundant near ridge crests than lower on windward slopes. The important and ubiquitous phenomenon of spatial inhomogeneity in population density is addressed and corrected for in spatial analyses by the application of the inhomogeneous version of Ripley's K. The spatial patterns of four size classes of D. pittieri (<5 cm dbh, 5-10 cm dbh, 10-20 cm dbh, and> 20 cm dbh) were investigated. Within the large-scale trend in density driven by wind exposure, D. pittieri saplings are clumped at the scale of treefall gaps and at the scale of patches of aggregated gaps. D. pittieri 5-10 cm dbh are randomly distributed, apparently due to competitive thinning of sapling clumps during the early stages of gap-phase regeneration. D. pittieri larger than 10 cm dbh are overdispersed at a scale larger than that of patches of gaps. Natural disturbance can influence the distribution of shade intolerant tree populations at several different spatial scales, and can have discordant effects at different life history stages.

Lawton, Robert M.↗
DOE OSTI2026

Observational Evidence for Wind‐Driven Low‐Pass Filtering of Infrasound at Short Range

Infrasound from controlled explosions provides a unique opportunity to isolate atmospheric effects on propagation. We report observations from two campaigns in May and October 2024, each featuring 10‐ton TNT‐equivalent controlled surface chemical explosions recorded by a dense network of 31 single‐sensor stations within 23 km. Despite identical sources, the observed wavefields were very different. October signals followed a near‐unimodal period–distance trend, whereas May signals exhibited a pronounced azimuthal bifurcation in both period and celerity. Downwind paths largely preserved the short‐period baseline observed in October, while upwind paths showed systematically longer periods caused by wind‐driven low‐pass filtering. This study provides the first direct observational evidence that tropospheric winds can impose azimuth‐dependent low‐pass filtering at local ranges, without the influence of measured temperature inversions. Thus, the structure of the atmosphere can modify the spectral characteristics of low‐frequency acoustic waves even at a distance of only a few kilometers.

Geosciences↗
DOE OSTI2024

Pioneering Microporous Layers for Proton-Exchange-Membrane Water Electrolyzers via Tape Casting

The imperative shift towards decarbonization necessitates the production of clean hydrogen through water electrolysis, powered by renewable energy sources. Among electrolyzer technologies, proton-exchange-membrane (PEM) systems emerge as a promising option for large-scale hydrogen generation due to their modular design and rapid response, aligning well with the intermittency of renewable energy. In this study, we employ a tape casting method to fabricate microporous layers (MPLs), both as a single layer and as a bilayer over commercial porous transport layers (PTLs), to further enhance performance of water electrolyzers. We demonstrate that microporous layers require adequate pore sizes to facilitate gas removal, preventing gas flooding and preserving electrolyzer performance. Our single layer microporous layers exhibit lower overpotentials compared to commercial sintered Ti PTLs by 142 mV at 4 A·cm ⁻2 . Moreover, we show that having an effective microporous layer enhances electrolyzer performance irrespective of the substrate used, offering avenues for cost reduction. We also investigate novel PTL structures with reduced tortuosity and integrated MPL fabricated via phase inversion tape casting, resulting in a performance enhancement of 92 mV. Our findings unravel the critical role of microporous layer structures and their impact on electrolyzer performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1978

The Chesapeake Bay Program: An opportunity to use an innovative monitoring technique

The goal of this program is to develop a management system that will protect and preserve the water quality of the Chesapeake Bay by effectively managing its uses and resources. To achieve this goal, three major objectives must be accomplished: (1) Determine what units of government have management responsibility for the environmental quality of the Chesapeake Bay, also to define how such management responsibility can best be structured so that communications and coordination can be improved between the respective units of government, research, educational institutions, concerned groups, and individuals. (2) Assess the principal factors having an adverse impact on the environmental quality of the Chesapeake Bay. Following this assessment and review of ongoing research, direct and coordinate research and abatement programs that will most effectively address these factors, and (3) analyze all environmental sampling data now being collected on the Chesapeake Bay and suggest and undertake methods for improving this data collection, and to establish a continuing capability for collecting storing, analyzing, and disseminating these data.

Mangiaracina, L.↗
NASA NTRS1981

Wind response characteristics of horizontal axis wind turbines

It was the objective of the work reported here, and in the companion paper 1 . A broader examination of wind turbine dynamic response to turbulence, and attempts to ascertain the features of turbulence that wind turbines are most sensitive to were made. A statistical description of the wind input including all three wind components and allowing linear wind gradients across the rotor disk, was used together with quasi-static aerodynamic theory and an elementary structural model involving only a few degrees of freedom. The idea was to keep the turbine model simple and show the benefits of this type of statistical wind representation before attempting to use a more complex turbine model. As far as possible, the analysis was kept in the simplest form, while still preserving key physical responses.

Thresher, R. W.↗
NASA NTRS2010

Chemical Evolution of Presolar Organics in Astromaterials

Sub-micron, hollow organic globules reported from several carbonaceous chondrites, interplanetary dust particles, and comet Wild-2 samples returned by NASA?s Stardust mission are enriched in N-15/N-14 and D/H compared with terrestrial materials and the parent materials [1-4]. These anomalies are ascribed to the preservation of presolar cold molecular cloud material from where H, C, and N isotopic constraints point to chemical fractionation near 10 K [5]. An origin well beyond the planet forming region and their survival in meteorites suggests submicrometer organic globules were once prevalent throughout the solar nebula. The survival of the membrane structures indicates primitive meteorites and cometary dust particles would have delivered these organic precursors to the early Earth as well as other planets and satellites. The physical, chemical, and isotopic properties of the organic globules varies to its meteorite types and its lithologies. For example, organic globules in the Tagish Lake meteorite are always embedded in fined grained (poorly crystallized) saponite, and hardly encapsulated in coarse grained serpentine, even though saponite and serpentine are both main components of phyllosilicate matrix of the Tagish Lake meteorite. The organic globules are commonly observed in the carbonate-poor lithology but not in the carbonate-rich one. In Tagish Lake, isolated single globules are common, but in the Bells (CM2) meteorite, globules are mostly aggregated. We will review the evolutions of the organic globules from its birth to alteration in the parent bodies in terms of its own physical and chemical properties as well as its associated minerals.

Nakamura-Messenger, K.↗
NASA NTRSDate not supplied

TEM and XRD Investigation of Impact Glass Alteration Products: Amorphous Materials, Phyllosilicates and Everything in Between

Impact cratering is one of the most ubiquitous geologic processes shaping the surface of all solid bodies in our solar system. Impacts are also a major source of clay minerals and poorly crystalline, clay-like materials on Earth and Mars[1,2].These phyllosilicates and related clay-like phases comprise an incredibly complex group of materials, and their characterization, even in controlled laboratory settings, remains a challenging endeavor. The nature and origin of clay minerals and amorphous materials on Mars, which form a major component (~20-70 wt %) of rock and soil samples in Gale Crater as determined by the CheMin instrument on Curiosity, have remained ambiguous[3]. These amorphous phases likely fall on a spectrum between pristine volcanic and/or impact-produced primary materials and clay minerals and related phases formed from aqueous alteration. Amorphous materials are common weathering products in terrestrial sediments, soils, and paleosols [e.g., 4,5].Primary impact materials (glass, melt rocks)are comparable in some ways to those generated volcanically [6], and so it may be possible that an amorphous component is preserved within altered impactites. There are hundreds of thousands of impact craters on Mars, and Curiosity and Perseverance are currently exploring ancient impact craters. We hypothesize that the sediments and lithologies in Gale and Jezero Craters and elsewhere contain altered impact products; it is therefore important to better understand the composition and structure of these materials. Here we present the first results from a study characterizing materials produced from impact glass alteration–clay minerals, poorly crystalline/amorphous materials–in terrestrial craters using Transmission Electron Microscopy (TEM), powder X-ray diffraction (pXRD)and chemical (EDS) analysis.

Impact crater↗
DOE OSTI2021

Cylindrical Confinement of Nanocolloidal Cholesteric Liquid Crystal

The organization of nanocolloidal liquid crystals in constrained geometries has fundamental and practical importance, since under confinement, liquid crystals contain stable topological defects that can serve as templates for nanoparticle organization. Three-dimensional confinement of cholesteric (Ch) liquid crystals formed by cellulose nanocrystals (CNCs) have been extensively studied; however, their two-dimensional confinement remains underinvestigated. In this work, we report the results of systematic experimental studies of two-dimensional confinement of Ch–CNC liquid crystal in cylindrical capillaries with varying inner diameters. Confinement resulted in phase separation of the Ch–CNC liquid crystal into a Ch shell formed by concentric CNC pseudolayers with the helicoidal axis perpendicular to the inner surface of the capillary walls, and a micrometer-diameter isotropic core thread running parallel to the long axis of the capillary. The morphology of the confined Ch–CNC liquid crystal varied when progressively increasing the degree confinement. Finally, we show that phase separation of the Ch–CNC liquid crystal into a Ch shell and an isotropic core is preserved in flexible capillary tubing, suggesting the applicability of this system for the fabrication of flexible optical waveguides.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Enhanced extreme ultraviolet high-harmonic generation from chromium-doped magnesium oxide

High-order harmonic generation (HHG) from crystals is emerging as a new ultrashort source of coherent extreme ultraviolet (XUV) light. Doping the crystal structure can offer a new way to control the source properties. Here, we present a study of HHG enhancement in the XUV spectral region from an ionic crystal, using dopant-induced vacancy defects, driven by a laser centered at a wavelength of 1.55 μm. Our numerical simulations based on solutions of the semiconductor Bloch equations and density-functional theory are supported by our experimental observations and demonstrate an increase in the XUV high harmonic yield from doped bulk magnesium oxide (MgO) compared to undoped MgO, even at a low defect concentration. The anisotropy of the harmonic emission as a function of the laser polarization shows that the pristine crystal's symmetry is preserved. Our study paves the way toward the control of HHG in solids with complex defects caused by transition-metal doping.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Complex-Concentrated Anion Doping Enables Ultra-Stable Lattice Oxygen and Structural Integrity in Lithium-Rich Layered Oxide Cathodes

Lithium- and manganese-rich layered oxides (LMR) stand out as next-generation lithium-ion cathode chemistries, which harness both transition-metal and lattice-oxygen redox processes to deliver exceptional capacity and energy density. However, their full potential is hindered by intrinsic oxygen instability and structural degradation, resulting in pronounced voltage fade and capacity decay. Here, we present a complex-concentrated anion-doping paradigm in which multiple anions, F, Br, and S, are incorporated into the oxygen sublattice to enhance oxygen-redox and structural stability. X-ray absorption spectroscopy and aberration-corrected scanning transmission electron microscopy confirm ultra-stable local oxygen coordination environments during long-term cycling, with detrimental phase transformations and oxygen-loss-induced cavitation dramatically inhibited. Notably, we show that the characteristic LiTM6 transition metal (TM) honeycomb ordering is preserved even after electrochemical cycling. Concurrently, this strategy yields an unprecedented volume change of only 0.63% upon charging to 4.8 V vs. Li+/Li, achieving the first zero-strain LMR cathode. The resulting LMR cathode delivers ultralow voltage fade (1 mV per cycle during the first 100 cycles and becomes negligible in subsequent cycles) and outstanding energy retention (93% after 200 cycles) in a pouch cell configuration. Our complex-concentrated anion-doping concept establishes a broadly applicable strategy for resolving chemo-mechanical failure mechanisms in ceramic intercalation electrodes for next-generation energy storage.

Li-ion batteries↗
DOE OSTI2022

KSSOLV 2.0: An efficient MATLAB toolbox for solving the Kohn-Sham equations with plane-wave basis set

KSSOLV (Kohn-Sham Solver) is a MATLAB toolbox for performing Kohn-Sham density functional theory (DFT) calculations with a plane-wave basis set. KSSOLV 2.0 preserves the design features of the original KSSOLV software to allow users and developers to easily set up a problem and perform ground-state calculations as well as to prototype and test new algorithms. Furthermore, it includes new functionalities such as new iterative diagonalization algorithms, k-point sampling for electron band structures, geometry optimization and advanced algorithms for performing DFT calculations with local, semi-local, and hybrid exchange-correlation functionals. It can be used to study the electronic structures of both molecules and solids. So, we describe these new capabilities in this work through a few use cases. We also demonstrate the numerical accuracy and computational efficiency of KSSOLV on a variety of examples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Tuning Electronic Properties of 2D Materials Using Metal Adsorbates: Cu at WTe 2 Edges

Two-dimensional materials exhibit properties promising for novel applications. Topologically protected states at their edges can be harnessed for use in quantum devices. We use ab initio simulations to examine properties of edges in 1T'-WTe 2 monolayers, known to exhibit topological order, and their interactions with Cu atoms. Comparison of (010)-oriented edges that have the same composition but different terminations shows that, as the number of Cu atoms increases, their thermodynamically-preferred arrangement depends on the details of the edge structure. Cu atoms aggregate into a cluster at the most stable edge; while the cluster is non-magnetic, it spin-polarizes the W atoms along the edge, which removes the topological protection. At the metastable edge, Cu atoms form a chain incorporated into the WTe 2 lattice; the topological state is preserved in spite of the dramatic edge restructuring. This suggests that exploiting interactions of metal species with metastable edge terminations can provide a path towards non-invasive interfaces.

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

Surface chemical trapping of optical cycling centers

Quantum information processors based on trapped atoms utilize laser-induced optical cycling transitions for state preparation and measurement. These transitions consist of an electronic excitation from the ground to an excited state and a decay back to the initial ground state, associated with a photon emission. While this technique has been used primarily with atoms, it has also recently been shown to work for some divalent metal hydroxides ( e.g. SrOH) and alkoxides ( e.g. SrOCH 3 ). Additionally, this extension to molecules is possible because these molecules feature nearly isolated, atomic-like ground and first-excited electronic states centered on the radical metal atom. We theoretically investigate the extension of this idea to a larger scale by growing the alkyl group, R, beyond the initial methyl group, CH 3 , while preserving the isolated and highly vertical character of the electronic excitation on the radical metal atom, M. Theory suggests that in the limit as the size of the ligand carbon chain increases, it can be considered a functionalized diamond (or cubic boron nitride) surface. Several requirements must be observed for the cycling centers to function when bound to the surface. First, the surface must have a significant band gap that fully encapsulates both the ground and excited states of the cycling center. Second, while the surface lattice imposes strict limits on the achievable spacing between the SrO– groups, at high coverage, SrO– centers can interact, and show geometric changes and/or electronic state mixing. We show that the coverage of the diamond surface with SrO– cycling centers needs to be significantly sub-monolayer for the functionality of the cycling center to be preserved. Having the lattice-imposed spatial control of SrO– placements will allow nanometer-scale proximity between qubits and will eliminate the need for atom traps for localized cycling emitters. Our results also imply that a functionalization could be done on a scanning microscope tip for local quantum sensing or on photonic structures for optically-mediated quantum information processing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Skew-Symmetric adjacency matrices for clustering directed graphs

Graph clustering methods often critically rely on the symmetry of graph matrices. Developing analogous methods for digraphs often proves more challenging, because digraph matrices are typically asymmetric and not orthogonally diagonalizable. However, researchers have recently proposed several complex-valued Hermitian digraph matrices. In particular, one such representation has been utilized as an input to an algorithm for finding imbalanced cuts. In this work, we establish an algebraic relationship between this matrix and an associated real-valued matrix. We show using this real-valued matrix for imbalanced cut-finding algorithms is not only sufficient but advantageous. Our algorithm uses less memory and asymptotically less computation while provably preserving solution quality. We also show our method can be easily implemented using standing computational building blocks, possesses better numerical properties, and loans itself to a natural interpretation via an objective function relaxation argument. We empirically demonstrate these advantages on real world data sets and show how our algorithm can uncover meaningful cluster structure.

Hayashi, Koby↗
DOE OSTI2020

Experimental observation of the liquid-liquid transition in bulk supercooled water under pressure

We prepared bulk samples of supercooled liquid water under pressure by isochoric heating of high-density amorphous ice to temperatures of 205 ± 10 kelvin, using an infrared femtosecond laser. Because the sample density is preserved during the ultrafast heating, we could estimate an initial internal pressure of 2.5 to 3.5 kilobar in the high-density liquid phase. After heating, the sample expanded rapidly, and we captured the resulting decompression process with femtosecond x-ray laser pulses at different pump-probe delay times. A discontinuous structural change occurred in which low-density liquid domains appeared and grew on time scales between 20 nanoseconds to 3 microseconds, whereas crystallization occurs on time scales of 3 to 50 microseconds. The dynamics of the two processes being separated by more than one order of magnitude provides support for a liquid-liquid transition in bulk supercooled water.

74 ATOMIC AND MOLECULAR PHYSICS↗