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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

High Radiation Resistance in the Binary W‐Ta System Through Small V Additions: A New Paradigm for Nuclear Fusion Materials

Abstract Refractory High‐Entropy Alloys (RHEAs) are promising candidates for structural materials in nuclear fusion reactors, where W‐based alloys are currently leading. Fusion materials must withstand extreme conditions, including i) severe radiation damage from energetic neutrons, ii) embrittlement due to H and He ion implantation, and iii) exposure to high temperatures and thermal gradients. Recent RHEAs, such as WTaCrV and WTaCrVHf, have shown superior radiation tolerance and microstructural stability compared to pure W, but their multi‐element compositions complicate bulk fabrication and limit practical use. In this study, it is demonstrated that reducing alloying elements in RHEAs is feasible without compromising radiation tolerance. Herein, two Highly Concentrated Refractory Alloys (HCRAs) − W 53 Ta 44 V 3 and W 53 Ta 42 V 5 (at.%) − were synthesized and investigated. We found that small V additions significantly influence the radiation response of the binary W–Ta system. Experimental results, supported by ab‐initio Monte Carlo simulations and machine‐learning‐driven molecular dynamics, reveal that minor variations in V content enhance Ta–V chemical short‐range order (CSRO), improving radiation resistance in the W 53 Ta 42 V 5 HCRA. By focusing on reducing chemical complexity and the number of alloying elements, the conventional high‐entropy alloy paradigm is challenged, suggesting a new approach to designing simplified multi‐component alloys with refractory properties for thermonuclear fusion applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Room‐Temperature Phosphorescent Platinum(II) Alkynyls with Microsecond Lifetimes Bearing a Strong‐Field Pincer Ligand

Abstract The use of organometallic triplet emitters in organic light emitting diodes (OLEDs) is motivated by the premise of efficient intersystem crossing leading to unit internal quantum efficiencies. However, since most devices are based on solid‐state components, an inherent limitation to square‐planar platinum(II) phosphors is their tendency toward aggregation‐based quenching. Here, a new class of emissive, four‐coordinate Pt II species based on the bisimidazolyl carbazolide (BIMCA) ligand is introduced, which displays highly efficient, long‐lived solid‐state phosphorescence at room temperature. A set of four BIMCAPt phenyl acetylides were synthesized that emit in the green ( λ max =507–540 nm) with >60 % quantum yield and millisecond lifetimes. The structures of the resulting species reveal a non‐planar structure imposed by steric clashes between BIMCA and the iodo or alkynyl co‐ligand. Ground‐state and photophysical characterization are presented. Density functional theory calculations indicate that the BIMCA ligand dominates the frontier orbitals along with the first Franck–Condon singlet and triplet excited states.

Liska, Tadeas↗
DOE OSTI2020

Photoredox Organic Synthesis Employing Heterogeneous Photocatalysts with Emphasis on Halide Perovskite

Abstract Lately, heterogeneous semiconductor materials have been explored as an emerging type of efficient photocatalyst for photoredox organic synthesis. Among these semiconductors, lead halide perovskite materials demonstrate unique properties towards excellent charge separation and charge transfer, extremely long charge carrier migration, high efficiency in visible light absorption, and long excited states lifetimes, etc., as proved in ground‐breaking solar cell applications, garnering necessary merits for an efficient catalytic system for photoredox organic reactions. Here, the latest progress in heterogeneous semiconductor materials towards this endeavor is examined, with particular emphasis on lead halide perovskite nanocrystals (NCs) in photocatalytic organic synthesis.

Lin, Yixiong↗
DOE OSTI2023

Ultra‐Low‐Loss Silicon Nitride Photonics Based on Deposited Films Compatible with Foundries

Abstract The fabrication processes of silicon nitride (Si 3 N 4 ) photonic devices used in foundries require low temperature deposition, which typically leads to high propagation losses. Here, it is shown that propagation loss as low as 0.42 dB cm −1 can be achieved using foundry compatible processes by solely reducing waveguide surface roughness. By postprocessing the fabricated devices using rapid thermal anneal (RTA) and furnace anneal, propagation losses down to 0.28 dB cm −1 and 0.06 dB cm −1 , respectively, are achieved. These low losses are comparable to the conventional devices using high temperature, high‐stress LPCVD films. The dispersion of the devices is also tuned, and it is proved that these devices can be used for linear and nonlinear applications. Low threshold parametric oscillation, broadband frequency combs, and narrow‐linewidth laser are demonstrated. This work demonstrates the feasibility of scalable photonic systems based on foundries.

Ji, Xingchen↗
DOE OSTI2024

Bosenovae with quadratically-coupled scalars in quantum sensing experiments

Abstract Ultralight dark matter (ULDM) particles of massm ϕ ≲ 1 eV can form boson stars in DM halos. Collapse of boson stars leads to explosive bosenova emission of copious relativistic ULDM particles. In this work, we analyze the sensitivity of terrestrial and space-based experiments to detect such relativistic scalar ULDM particles interacting through quadratic couplings with Standard Model constituents, including electrons, photons, and gluons. We highlight key differences with searches for linear ULDM couplings. Screening of ULDM with quadratic couplings near the surface of the Earth can significantly impact observations in terrestrial experiments, motivating future space-based experiments. We demonstrate excellent ULDM discovery prospects, especially for quantum sensors, which can probe quadratic couplings orders below existing constraints by detecting bosenova events in the ULDM mass range 10 −23 eV ≲m ϕ ≲ 10 −5 eV. We also report updated constraints on quadratic couplings of ULDM in case it comprises cold DM.

Physics↗
DOE OSTI2018

Facile room temperature CTAB-assisted synthesis of mesoporous nano-cobalt ferrites for enhanced magnetic behaviour

Highlights: • Synthesis of mesoporous nano-cobalt ferrites are carried out CTAB medium. • Crystalline cobalt ferrite phase was formed below CMC of CTAB. • Bilayer arrangement of CTA-OH-Fe-Co growing units leads to inter-particle pores. • Enhanced magnetic properties (M{sub s} and H{sub c}) were obtained in synthesized cobalt ferrites. - Abstract: We report a facile, room temperature synthesis of nanostructured mesoporous cobalt ferrites using the cationic surfactant, cetyltrimethylammonium bromide (CTAB). The synthesis was carried out at various concentrations of CTAB ranging from its pre- to post-micellar concentrations. The pristine and calcined samples exhibit pure cobalt ferrite phase which are confirmed by XRD studies. The morphology of all uncalcined samples was quasi-spherical as shown by TEM images. Nitrogen adsorption – desorption study on pristine samples indicates the presence of mesopores in them. The magnetic properties of the uncalcined and calcined samples were studied by vibrating sample magnetometry. Coercivity and saturation magnetization were found to vary with the concentration of the CTAB employed. Also, the pristine samples were soft magnets, whereas the calcined samples tended towards exhibiting hard magnetism. We have proposed a mechanism to explain the mesoporosity of nanostructured ferrite based the role of CTAB in the present synthetic method.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Nickel–Sulfonate Mode of Substrate Binding for Forward and Reverse Reactions of Methyl-SCoM Reductase Suggest a Radical Mechanism Involving Long-Range Electron Transfer

Methyl-coenzyme M reductase (MCR) catalyzes both the synthesis and the anaerobic oxidation of methane (AOM). Its catalytic site contains Ni at the core of cofactor F 430 . The Ni ion, in its low-valent Ni(I) state, lights the fuse leading to homolysis of the C–S bond of methyl-coenzyme M (methyl-SCoM) to generate a methyl radical, which abstracts a hydrogen atom from coenzyme B (HSCoB) to generate methane and the mixed disulfide CoMSSCoB. Direct reversal of this reaction activates methane to initiate anaerobic methane oxidation. On the basis of the crystal structures, which reveal a Ni–thiol interaction between Ni(II)–MCR and inhibitor CoMSH, a Ni(I)–thioether complex with substrate methyl-SCoM has been transposed to canonical MCR mechanisms. Similarly, a Ni(I)–disulfide with CoMSSCoB is proposed for the reverse reaction. However, this Ni(I)–sulfur interaction poses a conundrum for the proposed hydrogen-atom abstraction reaction because the >6 Å distance between the thiol group of SCoB and the thiol of SCoM observed in the structures appears to be too long for such a reaction. The spectroscopic, kinetic, structural, and computational studies described here establish that both methyl-SCoM and CoMSSCoB bind to the active Ni(I) state of MCR through their sulfonate groups, forming a hexacoordinate Ni(I)–N/O complex, not Ni(I)–S. These studies rule out direct Ni(I)–sulfur interactions in both substrate-bound states. As a solution to the mechanistic conundrum, we propose that both the forward and the reverse MCR reactions emanate through long-range electron transfer from the Ni(I)–sulfonate complexes with methyl-SCoM and CoMSSCoB, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Modeling and analysis of the tritium fuel cycle for ARC- and STEP-class D-T fusion power plants

Abstract The limited tritium resources available for the first fusion power plants (FPPs) make fuel self-sufficiency and tritium inventory minimization leading issues in FPP design. This work builds on the model proposed by Abdou et al (2020 Nucl. Fusion 61 013001), which analyzed the fuel cycle (FC) of a DEMOnstration nuclear FPP-class FPP with a time-dependent system-level model. Here, we use a modified version of their model to analyze the FC of an Affordable, Robust, Compact (ARC)-class tokamak and two versions of a Spherical Tokamak for Energy Production (STEP)-class tokamak. The ARC-class tokamak breeds tritium in a 2LiF + BeF 2 liquid immersion blanket, while the STEP-class tokamak breeds tritium utilizing either a liquid-lithium blanket design or an encapsulated breeding blanket. A time-dependent system-level model is developed in Matlab Simulink ® to simulate the evolution of tritium flows and tritium inventories in the FC. The main goals of this work are to assess tritium self-sufficiency of the ARC- and STEP-class designs and to determine quantitative design requirements that can be used to analyze the adequacy of a proposed FC system. These design requirements are aimed at achieving a low tritium inventory doubling time ( t d ) and a low start-up inventory ( I s t a r t u p ) while keeping the required tritium breeding ratio (TBR r ) as low as possible. We also consider how improvements in FC technology and POs affect TBR r and I s t a r t u p . The model results show that TBR r for ARC- and STEP-class FPPs should be achievable if the tritium burn efficiency (TBE) reaches 0.5%–1% (TBR r < 1.2). This assumes significant, but attainable, improvements over current abilities. However, the model results indicate that an FPP must achieve ambitious performance targets, including FPP availability > 70%, tritium processing time < 4 h, and the implementation of direct internal recycling (DIR). If future research yields major improvements to achievable TBE, it may be possible to achieve tritium self-sufficiency while operating at lower availability and without implementing DIR.

Physics↗
DOE OSTI2023

Systematics in asteroseismic modelling: application of a correlated noise model for oscillation frequencies

ABSTRACT The detailed modelling of stellar oscillations is a powerful approach to characterizing stars. However, poor treatment of systematics in theoretical models leads to misinterpretations of stars. Here, we propose a more principled statistical treatment for the systematics to be applied to fitting individual mode frequencies with a typical stellar model grid. We introduce a correlated noise model based on a Gaussian process (GP) kernel to describe the systematics given that mode frequency systematics are expected to be highly correlated. We show that tuning the GP kernel can reproduce general features of frequency variations for changing model input physics and fundamental parameters. Fits with the correlated noise model better recover stellar parameters than traditional methods that either ignore the systematics or treat them as uncorrelated noise.

Li, Tanda (ORCID:0000000163962563)↗
DOE OSTI2026

Using strong lensing to detect subhaloes with steep inner density profiles

ABSTRACT The inner region of a subhalo’s density distribution is particularly sensitive to dark matter microphysics, with alternative dark matter models leading to both cored and steeply-rising inner density profiles. This work investigates how the lensing signature and detectability of dark matter subhaloes in mock HST-, Euclid-, and JWST-like strong lensing observations depend on the subhalo’s radial density profile, especially with regards to the inner power-law slope, $\beta$. We demonstrate that the minimum subhalo mass detectable along the Einstein ring of a system is strongly dependent on $\beta$. In particular, we show that subhaloes with $\beta = 2.2$ can be detected down to masses over an order-of-magnitude lower than their Navarro–Frenk–White (NFW) counterparts with $\beta = 1$. Importantly, we find that the detectability of subhaloes with steep inner profiles is minimally affected by increasing the complexity of the main lens galaxy’s mass model. This is a notable characteristic of these subhaloes, as those with NFW or shallower profiles become essentially undetectable when multipole perturbations are added to the lens model. The results of this work highlight how the underlying dark matter physics can significantly impact the expected number of subhalo detections from strong gravitational lensing observations. This is important for testing Cold Dark Matter against alternative models, such as Self-Interacting Dark Matter, that predict a diverse range of subhalo inner density profiles.

dark matter↗
DOE OSTI2020

The Effect of Size on Postrelease Survival of Head-Started Mojave Desert Tortoises

Abstract Captive-rearing conservation programs focus primarily on maximizing postrelease survival. Survival increases with size in a variety of taxa, often leading to the use of enhanced size as a means to minimize postrelease losses. Head-starting is a specific captive-rearing approach used to accelerate growth in captivity prior to release in the wild. We explored the effect of size at release, among other potential factors, on postrelease survival in head-started Mojave desert tortoises Gopherus agassizii. Juvenile tortoises were reared for different durations of captivity (2–7 y) and under varying husbandry protocols, resulting in a wide range of juvenile sizes (68–145 mm midline carapace length) at release. We released all animals (n = 78) in the Mojave National Preserve, California, United States, on 25 September 2018. Release size and surface activity were the only significant predictors of fate during the first year postrelease. Larger sized head-starts had higher predicted survival rates when compared with smaller individuals. This trend was also observed in animals of the same age but reared under different protocols, suggesting that accelerating the growth of head-started tortoises may increase efficiency of head-starting programs without decreasing postrelease success. Excluding five missing animals, released head-starts had 82.2% survival in their first year postrelease (September 2018–September 2019), with all mortalities resulting from predation. No animals with >90-mm midline carapace length were predated by ravens. Our findings suggest the utility of head-starting may be substantially improved by incorporating indoor rearing to accelerate growth. Target release size for head-started chelonians will vary among head-start programs based on release site conditions and project-specific constraints.

Biodiversity & Conservation↗
DOE OSTI2017

ZrO{sub 2} quantum dots/graphene phototransistors for deep UV detection

Graphical abstract: Electron-hole pairs are generated in the ZrO2 quantum dot film under UV light irradiation, and then holes transfer to graphene layer due to the lower energy levels for holes in graphene, leaving electrons trapped in the ZrO2 QDs, which acted as an additional light tunable gate. The graphene and ZrO2 quantum dots act as the conducting channel and the light absorption layer respectively. - Highlights: • High photo-responsivity and low-cost photo-transistors for deep-UV detection based on graphene decorated with ZrO2 . • Graphene has been used as carrier transport channel and ZrO2 QDs provide strong advantage of deep-UV absorption. • Electron-hole pairs get separated at the interface between graphene and ZrO2 QDs, which leads to the transfer of holes from QDs towards graphene, and the traps of electrons in the ZrO2 QDs that acted as an additional light tunable gate.Electron-hole pairs get separated at the interface between graphene and ZrO2 QDs, which leads to the transfer of holes from QDs towards graphene, and the traps of electrons in the ZrO2 QDs that acted as an additional light tunable gate. - Abstract: ZrO{sub 2} is a promising material for deep-UV detection application, yet the low carrier density and high crystal lattice defects hinder the device performance. Graphene is an attractive material for photoactive and charge transport layers in photodetectors, but the photoresponsivity have been limited by the weak light absorption, no wavelength selectivity. Here, we demonstrate heterostructure phototransistors consist of graphene as the conducting channel, which is covered by a film of ZrO{sub 2} quantum dots as the light absorption layer. Light absorption in the quantum dots layer creates electron-hole pairs. Under the built-in electric field, the electrons are trapped in ZrO{sub 2} acting as an additional light tunable gate, whereas the holes are transferred towards the graphene. The ZnO{sub 2}/Graphene heterostructure, with a high photoresponsivity of 22 A W{sup −1} and wavelength selectivity to deep UV wavelength range (220–250 nm) at low operating voltage, is promising to be integrated into solution processed and low-cost optoelectrical devices.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Solvothermal synthesis of a new 3-D mixed-metal sulfide framework, (H{sub 1.33}tren)[In{sub 2.67}Sb{sub 1.33}S{sub 8}]·tren

A new indium(III) antimony(V) sulfide, (H{sub 1.33}tren)[In{sub 2.67}Sb{sub 1.33}S{sub 8}]·tren, has been prepared solvothermally at 433 K. The compound crystallises in the tetragonal space group I-42d (lattice parameters, a=12.6248(5) and c=19.4387(18) Å at 150 K) and contains adamantane-like T2 supertetrahedral units comprised of corner-sharing InS{sub 4}{sup 5−} and SbS{sub 4}{sup 3−} tetrahedra. The adamantane-like units are then linked through sulfur vertices to generate an open, 3-D framework structure containing large pores in which neutral, protonated tren (tris(2-aminoethylene)amine) molecules reside. The presence of the organic components was confirmed by solid-state {sup 13}C NMR (10 kHz), combustion and thermogravimetric analysis. The band gap, obtained from UV–vis diffuse reflectance measurements, is 2.7(2) eV. Stirring with either water or alkali-metal salt solution leads to removal of the neutral tren molecules and an ~9% reduction in unit-cell volume on formation of (H{sub 1.33}tren)[In{sub 2.67}Sb{sub 1.33}S{sub 8}]·(H{sub 2}O){sub 4}. - Graphical abstract: Linking of In(III)-Sb(V)-S adamantane units to form a 3-D open framework. - Highlights: • Preparation and structural characterisation of a new mixed-metal thiometallate. • The first mixed In(III)/Sb(V) supertetrahedron. • Optical band gap of 2.7(2) eV. • Soaking in aqueous alkali-metal solutions leads to removal of ca. 50% of the organic content.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Exposure to hazardous substances in Cathode Ray Tube (CRT) recycling sites in France

Highlights: • Chemical risks were assessed in the nine cathode ray tube screens recycling facilities. • The main hazardous agents are dust containing lead, cadmium, barium and yttrium. • Exposure and pollutant levels are described for different operations and processes. • All the operations and processes are concerned by significant levels of pollutants. • We suggest recommendations to reduce chemical risk. - Abstract: The Waste Electrical and Electronic Equipment (WEEE) or e-waste recycling sector has grown considerably in the last fifteen years due to the ever shorter life cycles of consumables and an increasingly restrictive policy context. Cathode Ray Tubes (CRTs) from used television and computer screens represent one of the main sources of e-waste. CRTs contain toxic materials such as lead, cadmium, barium, and fluorescent powders which can be released if recycling of CRTs is not appropriate. Exposure to these harmful substances was assessed in nine workshops where CRT screens are treated. Particulate exposure levels were measured using a gravimetric method and metals were analysed by plasma emission spectrometry. The maximum levels of worker exposure were 8.8 mg/m{sup 3}, 1504.3 μg/m{sup 3}, 434.9 μg/m{sup 3}, 576.3 μg/m{sup 3} and 2894.3 μg/m{sup 3} respectively for inhalable dust, barium, cadmium, lead and yttrium. The maximum levels of airborne pollutants in static samples were 39.0 mg/m{sup 3}, 848.2 μg/m{sup 3}, 698.4 μg/m{sup 3}, 549.3 μg/m{sup 3} and 3437.9 μg/m{sup 3} for inhalable dust, barium, cadmium, lead and yttrium. The most harmful operations were identified, and preventive measures for reducing the chemical risk associated with screen recycling were proposed. Workplace measurements were used to define recommendations for reducing the chemical risks in CRT screens recycling facilities and for promoting the design and development of “clean and safe” processes in emerging recycling channels.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Introducing Weirs: An Abstraction for Next Generation Streaming Workflows

In HPC applications, it is widely understood that in situ systems will play a significant role in next generation systems. The rate that next-generation leadership machines will be able to generate data will exceed the bandwidths of the planned I/O systems, leading to a need for in situ processing of the resulting data to reduce it. There have been a number of techniques proposed for in situ workflow systems; we are concerned here specifically with the needs of publish/subscribe or streaming-based approaches, which allow the in situ system to be composed of completely separate executables running concurrently on the hardware. In this paper we introduce an abstract known as a Weir. A weir is a useful mechanism to control state in a point to point streaming workflow in the absence of a third party publish subscribe system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Two‐Dimensional Arrays of Transition Metal Nitride Nanocrystals

Abstract The synthesis of low‐dimensional transition metal nitride (TMN) nanomaterials is developing rapidly, as their fundamental properties, such as high electrical conductivity, lead to many important applications. However, TMN nanostructures synthesized by traditional strategies do not allow for maximum conductivity and accessibility of active sites simultaneously, which is a crucial factor for many applications in plasmonics, energy storage, sensing, and so on. Unique interconnected two‐dimensional (2D) arrays of few‐nanometer TMN nanocrystals not only having electronic conductivity in‐plane, but also allowing transport of ions and electrolyte through the porous nanosheets, which are obtained by topochemical synthesis on the surface of a salt template, are reported. As a demonstration of their application in a lithium–sulfur battery, it is shown that 2D arrays of several nitrides can achieve a high initial capacity of >1000 mAh g −1 at 0.2 C and only about 13% degradation over 1000 cycles at 1 C under a high areal sulfur loading (>5 mg cm −2 ).

Xiao, Xu↗
DOE OSTI2020

Stepwise Assembly of Turn‐on Fluorescence Sensors in Multicomponent Metal–Organic Frameworks for in Vitro Cyanide Detection

Abstract The controlled synthesis of multicomponent metal–organic frameworks (MOFs) allows for the precise placement of multiple cooperative functional groups within a framework, leading to emergent synergistic effects. Herein, we demonstrate that turn‐on fluorescence sensors can be assembled by combining a fluorophore and a recognition moiety within a complex cavity of a multicomponent MOF. An anthracene‐based fluorescent linker and a hemicyanine‐containing CN − ‐responsive linker were sequentially installed into the lattice of PCN‐700. The selective binding of CN − to hemicyanine inhibited the energy transfer between the two moieties, resulting in a fluorescence turn‐on effect. Taking advantage of the high tunability of the MOF platform, the ratio between anthracene and the hemicyanine moiety could be fine‐tuned in order to maximize the sensitivity of the overall framework. The optimized MOF‐sensor had a CN − ‐detection limit of 0.05 μ m , which is much lower than traditional CN − fluorescent sensors (about 0.2 μ m ).

Li, Jialuo↗
DOE OSTI2023

Suppressing Universal Cathode Crossover in High‐Energy Lithium Metal Batteries via a Versatile Interlayer Design**

Abstract The universal cathode crossover such as chemical and oxygen has been significantly overlooked in lithium metal batteries using high‐energy cathodes which leads to severe capacity degradation and raises serious safety concerns. Herein, a versatile and thin (≈25 μm) interlayer composed of multifunctional active sites was developed to simultaneously regulate the Li deposition process and suppress the cathode crossover. The as‐induced dual‐gradient solid‐electrolyte interphase combined with abundant lithiophilic sites enable stable Li stripping/plating process even under high current density of 10 mA cm −2 . Moreover, X‐ray photoelectron spectroscopy and synchrotron X‐ray experiments revealed that N‐rich framework and CoZn dual active sites can effectively mitigate the undesired cathode crossover, hence significantly minimizing Li corrosion. Therefore, assembled lithium metal cells using various high‐energy cathode materials including LiNi 0.7 Mn 0.2 Co 0.1 O 2 , Li 1.2 Co 0.1 Mn 0.55 Ni 0.15 O 2 , and sulfur demonstrate significantly improved cycling stability with high cathode loading.

Xie, Chuyi↗