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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Efficient passivation of n-type and p-type silicon surface defects by hydrogen sulfide gas reaction

An efficient surface defect passivation is observed by reacting clean Si in a dilute hydrogen sulfide-argon gas mixture (< 5% H2S in Ar) for both n-type and p-type Si wafers with planar and textured surfaces. Surface recombination velocities of 1.5 and 8 cm/s are achieved on n-type and p-type Si wafers, respectively, at an optimum reaction temperature of 550oC that are comparable to the best surface passivation quality used in high efficiency Si solar cells. Surface chemical analysis using x-ray photoelectron spectroscopy shows that sulfur is primarily bonded in a sulfide environment, and synchrotron-based soft x-ray emission spectroscopy of the adsorbed sulfur atoms suggests the formation of S-Si bonds. Furthermore, the sulfur surface passivation layer is unstable in air, attributed to surface oxide formation and a simultaneous decrease of sulfide bonds. However, the passivation can be stabilized by a low-temperature (300oC) deposited amorphous silicon nitride (a-Si:NX:H) capping layer.

14 SOLAR ENERGY↗
DOE OSTI2024

Is Ba 3 In 2 O 6 a high- T c superconductor?

It has been suggested that Ba 3 In 2 O 6 might be a high-Tc superconductor. Experimental investigation of the properties of Ba 3 In 2 O 6 was long inhibited by its instability in air. Recently epitaxial Ba 3 In 2 O 6 with a protective capping layer was demonstrated, which finally allows its electronic characterization. The optical bandgap of Ba3In2O6 is determined to be 2.99 eV in-the (001) plane and 2.83 eV along the c-axis direction by spectroscopic ellipsometry. First-principles calculations were carried out, yielding a result in good agreement with the experimental value. Various dopants were explored to induce (super-)conductivity in this otherwise insulating material. Neither A- nor B-site doping proved successful. The underlying reason is predominately the formation of oxygen interstitials as revealed by scanning transmission electron microscopy and first-principles calculations. Additional efforts to induce superconductivity were investigated, including surface alkali doping, optical pumping, and hydrogen reduction. To probe liquid-ion gating, Ba 3 In 2 O 6 was successfully grown epitaxially on an epitaxial SrRuO 3 bottom electrode. So far none of these efforts induced superconductivity in Ba 3 In 2 O 6 , leaving the answer to the initial question of whether Ba 3 In 2 O 6 is a high-T c superconductor to be 'no' thus far.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Cosmological analysis of three-dimensional BOSS galaxy clustering and Planck CMB lensing cross correlations via Lagrangian perturbation theory

In this work, we present a formalism for jointly fitting pre- and post-reconstruction redshift-space clustering (RSD) and baryon acoustic oscillations (BAO) plus gravitational lensing (of the CMB) that works directly with the observed 2-point statistics. The formalism is based upon (effective) Lagrangian perturbation theory and a Lagrangian bias expansion, which models RSD, BAO and galaxy-lensing cross correlations within a consistent dynamical framework. As an example we present an analysis of clustering measured by the Baryon Oscillation Spectroscopic Survey in combination with CMB lensing measured by Planck. The post-reconstruction BAO strongly constrains the distance-redshift relation, the full-shape redshift-space clustering constrains the matter density and growth rate, and CMB lensing constrains the clustering amplitude. Using only the redshift space data we obtain Ω m = 0.303 ± 0.008, $H_0$ = 69.21 ± 0.78 and $σ_8$ = 0.743 ± 0.043. The addition of lensing information, even when restricted to the Northern Galactic Cap, improves constraints to Ω m = 0.303 ± 0.008, $H_0$ = 69.21 ± 0.77 and $σ_8$ = 0.707 ± 0.035, in tension with CMB and cosmic shear constraints. The combination of Ω m and $H_0$ are consistent with Planck, though their constraints derive mostly from redshift-space clustering. The low $σ_8$ value are driven by cross correlations with CMB lensing in the low redshift bin ($\textit{z}$ ≃ 0.38) and at large angular scales, which show a 20% deficit compared to expectations from galaxy clustering alone. We conduct several systematics tests on the data and find none that could fully explain these tensions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Window convolution of the galaxy clustering bispectrum

In galaxy survey analysis, the observed clustering statistics do not directly match theoretical predictions but rather have been processed by a window function that arises from the survey geometry including the sky footprint, redshift-dependent background number density and systematic weights. While window convolution of the power spectrum is well studied, for the bispectrum with a larger number of degrees of freedom, it poses a significant numerical and computational challenge. In this work, we consider the effect of the survey window in the tripolar spherical harmonic decomposition of the bispectrum and lay down a formal procedure for their convolution via a series expansion of configuration-space three-point correlation functions, which was first proposed by Sugiyama et al. (2019). We then provide a linear algebra formulation of the full window convolution, where an unwindowed bispectrum model vector can be directly premultiplied by a window matrix specific to each survey geometry. To validate the pipeline, we focus on the Dark Energy Spectroscopic Instrument (DESI) Data Release 1 (DR1) luminous red galaxy (LRG) sample in the South Galactic Cap (SGC) in the redshift bin 0.4 ≤ z ≤ 0.6. We first perform convergence checks on the measurement of the window function from discrete random catalogues, and then investigate the convergence of the window convolution series expansion truncated at a finite of number of terms as well as the performance of the window matrix. This work highlights the differences in window convolution between the power spectrum and bispectrum, and provides a streamlined pipeline for the latter for current surveys such as DESI and the Euclid mission.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

The ABC130 barrel module prototyping programme for the ATLAS strip tracker

For the Phase-II Upgrade of the ATLAS Detector [1], its Inner Detector, consisting of silicon pixel, silicon strip and transition radiation sub-detectors, will be replaced with an all new 100% silicon tracker, composed of a pixel tracker at inner radii and a strip tracker at outer radii. The future ATLAS strip tracker will include 11,000 silicon sensor modules in the central region (barrel) and 7,000 modules in the forward region (end-caps), which are foreseen to be constructed over a period of 3.5 years. The construction of each module consists of a series of assembly and quality control steps, which were engineered to be identical for all production sites. In order to develop the tooling and procedures for assembly and testing of these modules, two series of major prototyping programs were conducted: an early program using readout chips designed using a 250 nm fabrication process (ABCN-250) [2,2] and a subsequent program using a follow-up chip set made using 130 nm processing (ABC130 and HCC130 chips). This second generation of readout chips was used for an extensive prototyping program that produced around 100 barrel-type modules and contributed significantly to the development of the final module layout. This paper gives an overview of the components used in ABC130 barrel modules, their assembly procedure and findings resulting from their tests.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

LCLS-II helium cryoplant and cryo distribution system installation

The helium cryoplant and cryo distribution system (CDS) are key elements of the new superconducting Linac Coherent Light Source (LCLS-II) and will provide superfluid helium to the accelerator. The cryoplant consists of two helium refrigerators with an equivalent 4.5 K refrigeration capacity of 18 kW each. The 37 cryomodules of the LINAC will be operated at a temperature of 2.0 K to accelerate a 4 GeV electron beam that will generate extremely bright X-ray laser light. Two five-stage cold compressor cold boxes will be utilized to provide superfluid helium II for the superconducting cavity structures with a total cooling capacity of 8 kW at 2.0 K. This paper describes the installation of the LCLS-II cryoplant and CDS. The LCLS-II cryoplant was designed and contributed by Jefferson Lab. To expedite the project completion the reuse of proven design and technology from the Jefferson Lab CHL-2 cryoplant was the preferred strategy. The CDS consists of ~260 m thermally shielded and vacuum super insulated transfer lines, two distribution boxes and eight feed and end caps, and was designed and contributed by Fermilab. SLAC installed the cryoplant components into a newly erected building and the CDS components into the existing accelerator tunnel and klystron gallery with strong engineering support from both partner labs.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

LBNF/DUNE Liquid Argon Roadmap

The Deep Underground Neutrino Experiment (DUNE) is an international flagship venture to unlock the mysteries of neutrinos. Hosted at the Sanford Underground Research Facility (SURF) and supported by the Long-Baseline Neutrino Facility (LBNF), DUNE relies on nearly 75,000 tonnes of ultrapure liquid argon (LAr) housed in state-of-the-art cryostats. Transporting such vast quantities of LAr to its destination a mile underground in Lead, SD, is a logistical and engineering challenge. The process begins with securing large quantities of liquid argon from suppliers located far from the site, with major sources situated near Houston, TX and Chicago, IL. The receiving facility, located atop a mountain with steep, often snow-covered access roads, provides limited maneuverability for trucks and can only handle two deliveries simultaneously. The facility serves as an entry point for argon to the greater LBNF cryogenic system. It is furnished with truck unloading stations, limited buffer storage of some 280 tonnes capacity, and vaporizers. The last are crucial for converting liquid argon into gas for transfer down the Ross Shaft, eliminating the need for cryogens in the vertical pipeline. These constraints, along with other operational factors, cap the delivery rate at 70 tonnes per day. Once underground, the argon is purified and recondensed before filling the cryostats. This roadmap outlines the integrated supply chain and cryogenic systems that enable the delivery of LAr to support DUNE’s groundbreaking physics research.

Maciazka, Matt [Fermilab]↗
DOE OSTI2021

Application-driven synthesis and characterization of hexagonal boron nitride deposited on metals and carbon nanotubes

Hexagonal boron nitride (h-BN) is unique among two-dimensional materials, with a large band gap (~6 eV) and high in-plane thermal conductivity (>400 W m -1 K -1 ), second only to diamond among electrical insulators. Many studies to date have relied on exfoliated h-BN, however, for large-scale applications the material must be synthesized by methods such as chemical vapor deposition (CVD). Here, we first investigate single-layer h-BN synthesized by CVD on single crystal platinum (Pt), comparing these films with h-BN deposited on more commonly used polycrystalline Pt and Cu. The h-BN film grown on single crystal Pt has the lowest surface roughness and best spatial homogeneity, and our electrochemical transfer process allows the Pt to be reused with no measurable degradation. Additionally, we also demonstrate direct capping of carbon nanotubes (CNTs) with as-grown h-BN, but we find that the direct growth partly degrades the CNT electrical conductivity. On the other hand, we show that transferred monolayer h-BN can serve as an ultrathin barrier which protects MoS2 from damage at high temperatures and discuss other applications that take advantage of the conformal h-BN deposition.

2D materials↗
DOE OSTI2022

Observation of well-defined Kohn-anomaly in high-quality graphene devices at room temperature

Abstract Due to its ultra-thin nature, the study of graphene quantum optoelectronics, like gate-dependent graphene Raman properties, is obscured by interactions with substrates and surroundings. For instance, the use of doped silicon with a capping thermal oxide layer limited the observation to low temperatures of a well-defined Kohn-anomaly behavior, related to the breakdown of the adiabatic Born–Oppenheimer approximation. Here, we design an optoelectronic device consisting of single-layer graphene electrically contacted with thin graphite leads, seated on an atomically flat hexagonal boron nitride substrate and gated with an ultra-thin gold layer. We show that this device is optically transparent, has no background optical peaks and photoluminescence from the device components, and no generation of laser-induced electrostatic doping (photodoping). This allows for room-temperature gate-dependent Raman spectroscopy effects that have only been observed at cryogenic temperatures so far, above all the Kohn-anomaly phonon energy normalization. The new device architecture, by decoupling graphene optoelectronic properties from the substrate effects, allows for observing quantum phenomena at room temperature.

Materials Science↗
DOE OSTI2025

Passive radiative thermal management using phase-change metasurfaces

Abstract Realizing innovative composite materials with passive thermal management capabilities and minimal ecological footprints is a challenging but much sought-after goal that would have a transformative effect on renewable energy sciences. We demonstrate an environmentally friendly metasurface utilizing vanadium dioxide (VO 2 ) that offers responsiveness to ambient temperature and potentially long-term stability. The metasurface enables passive thermal management by self-adjusting its absorptivity and emissivity response over a broad bandwidth ranging from visible to mid-infrared (IR) wavelengths. Above the VO 2 phase transition the metasurface exhibits increased mid-IR emissivity and reduced visible/near-IR absorptivity, creating an efficient radiative emission channel in the first atmospheric transparency window with reduced absorption of solar radiation. In contrast, below VO 2 ’s transition temperature, the metasurface increasingly absorbs sun light while minimizing mid-IR radiative heat losses. Moreover, a functional silicon layer eliminates the need for an additional capping layer commonly employed to protect VO 2 from environmental degradation. The additional protective layer often impedes the use and performance of VO 2 based devices in terrestrial as well as spacecraft applications. Therefore, the proposed durable and eco-friendly metasurface will be an excellent candidate for essential passive thermal regulation systems across residential and terrestrial applications.

42 ENGINEERING↗
DOE OSTI2023

Identification of blood protein biomarkers associated with prostate cancer risk using genetic prediction models: analysis of over 140,000 subjects

Prostate cancer (PCa) brings huge public health burden in men. A growing number of conventional observational studies report associations of multiple circulating proteins with PCa risk. However, the existing findings may be subject to incoherent biases of conventional epidemiologic studies. To better characterize their associations, herein, we evaluated associations of genetically predicted concentrations of plasma proteins with PCa risk. In this study, we developed comprehensive genetic prediction models for protein levels in plasma. After testing 1308 proteins in 79 194 cases and 61 112 controls of European ancestry included in the consortia of BPC3, CAPS, CRUK, PEGASUS, and PRACTICAL, 24 proteins showed significant associations with PCa risk, including 16 previously reported proteins and eight novel proteins. Of them, 14 proteins showed negative associations and 10 showed positive associations with PCa risk. For 18 of the identified proteins, potential functional somatic changes of encoding genes were detected in PCa patients in The Cancer Genome Atlas (TCGA). Genes encoding these proteins were significantly involved in cancer-related pathways. We further identified drugs targeting the identified proteins, which may serve as candidates for drug repurposing for treating PCa. In conclusion, this study identifies novel protein biomarker candidates for PCa risk, which may provide new perspectives on the etiology of PCa and improve its therapeutic strategies.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Pot1 promotes telomere DNA replication via the Stn1-Ten1 complex in fission yeast

Abstract Telomeres are nucleoprotein complexes that protect the chromosome-ends from eliciting DNA repair while ensuring their complete duplication. Pot1 is a subunit of telomere capping complex that binds to the G-rich overhang and inhibits the activation of DNA damage checkpoints. In this study, we explore new functions of fission yeast Pot1 by using a pot1-1 temperature sensitive mutant. We show that pot1 inactivation impairs telomere DNA replication resulting in the accumulation of ssDNA leading to the complete loss of telomeric DNA. Recruitment of Stn1 to telomeres, an auxiliary factor of DNA lagging strand synthesis, is reduced in pot1-1 mutants and overexpression of Stn1 rescues loss of telomeres and cell viability at restrictive temperature. We propose that Pot1 plays a crucial function in telomere DNA replication by recruiting Stn1-Ten1 and Polα-primase complex to telomeres via Tpz1, thus promoting lagging-strand DNA synthesis at stalled replication forks.

Carvalho Borges, Pâmela C. (ORCID:0000000244919874↗
DOE OSTI2022

Respiratory energy demands and scope for demand expansion and destruction

Photosynthesis is the primary energy input to plants, but most plant metabolic processes are powered much or all of the time by ATP and NAD(P)H that come from respiratory oxidation of photosynthetically produced carbohydrates, that is, “dark respiration” (Amthor, 1994). The processes of growth, nutrient uptake and assimilation, active transport, and maintenance are thus all clients of respiration and compete for their share of a respiratory energy budget that is capped by photosynthate income. The economic principle of opportunity cost applies to these clients’ competing demands: spending respiratory energy on process A means missing the benefit of investing that energy in process B (Mahmoudabadi et al., 2019). This principle is key to assessing prospects for crop improvement by metabolic engineering. As de Lorenzo (2015) put it: “metabolism…frames and ultimately resolves whether a given genetic program (existing…or engineered) can be deployed or not.” Foreign or reconfigured native processes bolted on to a crop-plant’s metabolic chassis must compete for respiratory energy with native ones without crashing the energy economy. A proviso on plant carbon budgets is that photosynthetic carbon fixation (“source activity”) can in certain cases increase to meet increased carbon demand (“sink activity”), that is, budget envelopes are not always fixed (Smith et al., 2018). However, as there is some consensus that productivity is most often limited or co-limited by carbon supply (Ainsworth and Long, 2005; Körner, 2015; Sonnewald and Fernie, 2018), we make this our basal assumption in the analyses below.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

A Novel Zinc Binding Group for HDAC6 Inhibition

Histone deacetylases (HDAC’s) are key regulatory enzymes in gene transcription and cellular motility through the deacetylation of lysine residues. These enzymes bear a distinct clinical significance, as the upregulation of HDACs has been associated with oncogenesis for many hematological malignancies and proliferation of other neurodegenerative or immune disorders. There are four different classes of HDACs, three of which require zinc for catalysis. Among the zinc dependent isozymes, HDAC6 is thought to be a particularly desirable therapeutic target, as its selective inhibition in malignant cells is accompanied by fewer associated toxicities in comparison to pan‐HDAC inhibition. Therefore, optimizing HDAC6 inhibitor selectivity has the potential to yield great clinical significance. This selectivity is often conferred by designing inhibitors with bulky capping groups and a hydrophobic linker region, which make favorable interactions in the hydrophobic region of the HDAC6 active site. Many inhibitors contain a hydroxamate zinc‐binding group, which can coordinate with bidentate or monodentate geometry. In efforts to optimize HDAC6 selectivity by exploring alternative zinc‐binding groups, a unique inhibitor containing an oxadiazole ring was discovered. Surprisingly, the crystal structure of its complex with HDAC6 reveals that the oxadiazole undergoes a ring opening reaction to yield an acylhydrazide that binds with an extended conformation in the active site.

Cragin, Abigail↗
DOE OSTI2025

Assessment of diagenesis in archaeological human second metacarpal bones using the intensity of the small angle X-ray scattering D -period peak

Bone consists mainly of carbonated apatite (cAp) nanoplatelets embedded in a matrix of collagen fibrils. Earlier, high-energy small angle X-ray scattering (SAXS) studies of archaeological adult human second metacarpal bones (mc2) found collagen D-period peaks with high-intensity I D in specimens in which microcomputed tomography (microCT) showed little diagenesis and I D ~ 0 for specimens where microCT revealed severe diagenesis (Park et al. 2022 Int. J. Osteoarchaeol. 32, 170–181 (doi:10.1002/oa.3053); Stock et al. 2022 Int. J. Osteoarchaeol. 32, 120–131 (doi:10.1002/oa.3049)). Here, the present paper uses SAXS at beamline 1-ID, Advanced Photon Source, Argonne National Laboratory and other techniques to study a set of 10 mc2 from an early Medieval cemetery at Greding, Germany. We hypothesized that non-invasive measurement of I D would provide an accurate and rapid (approx. 6 min/specimen) assessment of diagenesis in archaeological mc2. Results of Raman spectroscopy, laboratory microCT and backscattered electron, reflected light and polarized transmitted light microscopies confirmed the SAXS determinations, but lattice parameter values from X-ray diffraction were uncorrelated with I D value. Age-at-death estimates placed the 10 mc2 in three age categories (young adult, middle adult, old adult): lattice parameters from X-ray diffraction were uncorrelated with age at death. Cross-sectional bone area fraction from microCT dropped noticeably for the older age cohort.

Raman spectroscopy↗
DOE OSTI2025

Mechanism of shape symmetry breaking in surfactant-mediated crystal growth

We present a dynamical model of crystal growth, in which it is possible to reliably achieve asymmetric products, beginning from symmetric initial conditions and growing within an isotropic environment. The asymmetric growth is the result of a positive feedback mechanism that amplifies the effect of thermal fluctuations in the coverage of surfactants on the growing crystalline facets. Within our simple model, we are able to understand the kinetic and thermodynamic factors involved in both the onset of symmetry breaking and the persistence of anisotropic growth. We demonstrate that the mechanism is general by studying models with increasing complexity. We argue that this mechanism of symmetry breaking underpins observations of colloidal, seed-mediated syntheses of single crystalline metal nanorods capped with strongly interacting surfactants. The parameters within our model are related to experimental observables such as the concentration, hydrophobicity, and binding strength of the surfactants, which suggests a potential route to optimize the yield of asymmetric products in colloidal nanoparticle syntheses.

Oaks-Leaf, Sam↗
DOE OSTI2025

The Dark Energy Camera All Data Everywhere cosmic shear project V: Constraints on cosmology and astrophysics from 270 million galaxies across 13,000 deg$^2$ of the sky

We present constraints on models of cosmology and astrophysics using cosmic shear data vectors from three datasets: the northern and southern Galactic cap of the Dark Energy Camera All Data Everywhere (DECADE) project, and the Dark Energy Survey (DES) Year 3. These data vectors combined consist of 270 million galaxies spread across 13,000 ${\rm deg}^2$ of the sky. We first extract constraints for $Λ$CDM cosmology and find $S_8= 0.805^{+0.019}_{-0.019}$ and $Ω_{\rm m} = 0.262^{+0.023}_{-0.036}$, which is consistent within $1.9 σ$ of constraints from the Planck satellite. Extending our analysis to dynamical dark energy models shows that lensing provides some (but still minor) improvements to existing constraints from supernovae and baryon acoustic oscillations. Finally, we study six different models for the impact of baryons on the matter power spectrum. We show the different models provide consistent constraints on baryon suppression, and associated cosmology, once the astrophysical priors are sufficiently wide. Current scale-cut approaches for mitigating baryon contamination result in a residual bias of $\approx 0.3σ$ in the $S_8, Ω_{\rm m}$ posterior. Using all scales with dedicated baryon modeling leads to negligible improvement as the new information is used solely to self-calibrate the baryon model on small scales. Additional non-lensing datasets, and/or calibrations of the baryon model, will be required to access the full statistical power of the lensing measurements. The combined dataset in this work represents the largest lensing dataset to date (most galaxies, largest area) and provides an apt testing ground for analyses of upcoming datasets from Stage IV surveys. The DECADE shear catalogs, data vectors, and likelihoods are made publicly available.

Anbajagane, D. [Chicago U., Astron. Astrophys. Ctr↗
DOE OSTI2021

Ferromagnetic Resonance Modes in the Exchange-Dominated Limit in Cylinders of Finite Length

We analyze the magnetic mode structure of axially magnetized finite-length nanoscopic cylinders in a regime where the exchange interaction dominates, along with simulations of the mode frequencies of the ferrimagnet yttrium iron garnet. For the bulk modes, we find that the frequencies can be represented by an expression given by Herring and Kittel by using wavevector components obtained by fitting the mode patterns emerging from these simulations. In addition to the axial, radial, and azimuthal modes that are present in an infinite cylinder, we find localized “cap modes” that are “trapped” at the top and bottom cylinder faces by the inhomogeneous dipole field emerging from the ends. Semiquantitative explanations are given for some of the modes, in terms of a one-dimensional Schrodinger equation, which is valid in the exchange-dominant case. The assignment of the azimuthal-mode number is carefully discussed, and the frequency splitting of a few pairs of nearly degenerate modes is determined through the beat pattern emerging from them.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗