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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Tamper-Indicating Enclosures with Visually Obvious Tamper Response (Final Project Report)

Sandia National Laboratories is developing a new method for detecting penetration of tamper - indicating enclosures (TIEs). This method incorporates the use of "bleeding" materials (analogous to visually obvious, colorful bruised skin that doesn't heal) into the design of TIEs. As designed, it will allow inspectors to use simple visual observation to detect attempts to penetrate the external surfaces of a TIE, without providing adversaries the ability to repair damage. A material of this type can enhance tamper indication of current TIEs used to support treaty verification regimes. Current TIE inspections are time - consuming and rely on subjective visual assessment by an inspector, equipment such as eddy current or camera devices, or involve approaches that may be limited due to application environment. The complexities and requirements that volumetric sealing methods (or TIEs) must address are: (1) enclosures that are non - standard in size/shape; (2) enclosures that may be inspectorate - or facility - owned; (3) finding tamper attempts that are difficult and time consuming for an inspector to locate; (4) enclosures that are reliable and durable enough to survive the conditions that exist in the operating environment (including facility handling); and (5) methods that prevent adversaries from repairing penetrations. Early project R&D [1] focused on encapsulated transition metals. Due to the challenges associated with the transition metal - based approach, a mitigation approach was investigated resulting in two separate research paths — one that involves fabricating custom TIE molds that meet the specific (size and shape) needs of safeguards equipment a nd one that can be deployed as a sprayed on or painted coating to an existing TIE or surface. The "custom mold" approach is based on creating thin layers of materials that , when penetrated, expose an inner material to O 2 which causes an irreversible color change. The "in-situ coating" approach is based on applying a sensor solution containing color changing microcapsules that bleed when the microcapsule is ruptured. The anticipated benefits of this work are passive, flexible, scalable, robust , cost-effective TIEs with visually obvious responses to tamper attempts. This provides more efficient and effective monitoring , as inspectors will require little or no additional equipment and will be able to detect tamper without extensive time - consuming visual examination. Applications include custom TIEs (cabinets , equipment enclosures or seal bodies ), or spray-coating/painting onto facility-owned items, walls or structures, or circuit boards. The paper describes research and testing completed to-date on the method and integration of select system components.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Crack Growth Rate and Fracture Toughness Tests on Irradiated Ex-Plant Materials

The performance of structural materials is critical for the safe and economic operation of light water reactors. Exposed to neutron irradiation during service, the reactor core internal materials can undergo significant microstructural and microchemical changes, leading to irradiation hardening and embrittlement. To ensure the structural integrity and functionality of nuclear reactor components during long-term operation, material degradation and damage mechanisms must be understood and managed adequately. In this work, irradiated materials harvested from the decommissioned Zorita reactor were studied for their cracking susceptibility and fracture resistance as a function of irradiation dose up to 47 displacement per atom (dpa). The material is a Type 304 stainless steel sectioned from the baffle plates of this pressurized water reactor with 38 years of service. Crack growth rate and fracture toughness J-resistance (J-R) curve tests were performed in low-corrosion-potential environments at ~315°C. All samples behaved similarly under cyclic loading, and no deteriorated corrosion-fatigue behavior was observed in the test environments. Under constant stress intensity factors, most samples did not show elevated crack growth rates, suggesting an adequate stress corrosion cracking resistance in the test environments. However, an unstable cracking behavior was observed in a 47-dpa sample, resulting in significantly higher crack growth rates than expected at high stress intensity factors. Crack instability was also observed in a 0.06-dpa sample but did not lead to a sustained high crack growth rate. The impact of neutron irradiation was more evident in the fracture toughness J-R curve tests. As the dose increased, the J-R curve declined considerably and became very shallow at high doses. A fully intergranular fracture morphology was also observed among the high-dose samples ruptured in an air atmosphere at room temperature. This brittle fracture mode in the absence of high temperature water environment confirmed a high degree of embrittlement of this material resulting from its service exposure to neutron irradiation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Ultrafast Optomechanical Strain in Layered GeS

Strong coupling between light and mechanical strain forms the foundation for next-generation optical micro- and nano-electromechanical systems. Such optomechanical responses in two-dimensional materials present novel types of functionalities arising from the weak van der Waals bond between atomic layers. In this paper, by using structure-sensitive megaelectronvolt ultrafast electron diffraction, we report the experimental observation of optically driven ultrafast in-plane strain in the layered group IV monochalcogenide germanium sulfide (GeS). Surprisingly, the photoinduced structural deformation exhibits strain amplitudes of order 0.1% with a 10 ps fast response time and a significant in-plane anisotropy between zigzag and armchair crystallographic directions. Rather than arising due to heating, experimental and theoretical investigations suggest deformation potentials caused by electronic density redistribution and converse piezoelectric effects generated by photoinduced electric fields are the dominant contributors to the observed dynamic anisotropic strains. Our observations define new avenues for ultrafast optomechanical control and strain engineering within functional devices.

2D materials↗
DOE OSTI2021

Mechanical and Corrosion Response of 316SS in Supercritical CO 2

The supercritical carbon dioxide (s-CO 2 ) Brayton cycle is currently being explored as a replacement for the steam Rankine cycle due to its potential for higher efficiency and lower cycle cost. 316 stainless steel is a candidate alloy for use in s-CO 2 up to roughly 600 °C, but the mechanical effects of prolonged exposure of base and welded material in s-CO 2 have not been analyzed. The potential for carburization makes this an important concern for the implementation of 316 and similar austenitic stainless steels in the s-CO 2 environment. In this study, welded and base material of two types of 316–316L and 316H–were exposed in either s-CO 2 or argon at 550 °C or 750 °C for 1000 h. 550 °C s-CO 2 exposure yielded a thin (< 1 µm) Cr oxide with occasional nodules of duplex Fe oxide and Fe–Cr spinel that were up to 5 microns thick. However, tensile results from s-CO –2 exposure matched those of 550 °C thermal aging in Ar, indicating that no mechanically detrimental carburization occurred in either 316 variant after 1000 h exposure. Conversely, 750 °C s-CO 2 exposure produced roughly 10 × the oxide thickness, with a more substantial Fe oxide (3–5 µm) on the majority of the surface and nodules of up to 40 µm thick. In comparison to aged samples, tensile testing of 750 °C CO 2 -exposed samples revealed ductility loss attributed to carburization. As a result, projections of 316L performance in s-CO 2 indicate that mechanically detrimental carburization—equal to that shown here for 750 °C, 1000 h—will likely be present after 7–14 years of service at 550 °C.

316 stainless steel↗
DOE OSTI2022

Presynthetic Redox Gated Metal-to-Insulator Transition and Photothermoelectric Properties in Nickel Tetrathiafulvalene-Tetrathiolate Coordination Polymers

Photothermoelectric (PTE) materials are promising candidates for solar energy harvesting and photodetection applications, especially for near-infrared (NIR) wavelengths. Although the processability and tunability of organic materials are highly advantageous, examples of organic PTE materials are comparatively rare and their PTE performance is typically limited by poor photothermal (PT) conversion. Here, we report the use of redox-active Sn complexes of tetrathiafulvalene-tetrathiolate (TTFtt) as transmetalating agents for the synthesis of presynthetically redox tuned NiTTFtt materials. Unlike the neutral material NiTTFtt, which exhibits n-type glassy-metallic conductivity, the reduced materials Li 1.2 Ni 0.4 [NiTTFtt] and [Li(THF) 1.5 ] 1.2 Ni 0.4 [NiTTFtt] (THF = tetrahydrofuran) display physical characteristics more consistent with p-type semiconductors. The broad spectral absorption and electrically conducting nature of these TTFtt-based materials enable highly efficient NIR-thermal conversion and good PTE performance. Furthermore, in contrast to conventional PTE composites, these NiTTFtt coordination polymers are notable as single-component PTE materials. As a result, the presynthetically tuned metal-to-insulator transition in these NiTTFtt systems directly modulates their PT and PTE properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2018

Novel Applications of Focused Ion Beam Technique for Planetary Sample Analyses

We are using innovative FIB techniques to prepare samples of planetary materials for different types of coordinated analyses using ion microprobes, synchrotron beamlines, and specialized transmission electron microscopy (TEM) techniques. In these cases, the FIB sample preparation is the critical step in enabling these specialized analyses. We discuss several examples below utilizing the FEI Quanta3D instrument at the NASA Johnson Space Center. Trace element analyses utilizing synchrotron x-ray fluorescence. The trace element content of mineral grains in comet dust provides important clues on their formation and processing in the early solar system. We preformed coordinated analyses of a comet dust particle that had been prepared using ultramicrotomy for TEM analysis. Following the TEM analyses, we extracted a 70 nm thick section from a region of the carbon (C) film of the TEM grid, for additional analyses. A carbon ring ~2-3 μm thick was deposited on top of the C film using the FIB. The C film on the outer rim of the ring was milled away using various patterns to uniformly release the stresses on the film, preventing rupture and collapse, and was attached to the micromanipulator needle. We then isolated the ring completely and transferred the section to a silicon sample holder for analysis using the HXN (hard X-ray nanoprobe) beamline at NSLSII at Brookhaven National Lab. Coordinated Analyses of Presolar Grains. Rare sub-m presolar grains that originate in evolved stars and supernovae, occur in primitive astromaterials and are identified by their exotic isotopic compositions. Coordinated analyses of these grains using NanoSIMS, TEM, and other techniques on the same grain is enabled by innovative FIB sample preparation. In order to obtain subsequent isotopic analyses of Mg and Fe, contributions from surrounding grains were minimized. We precisely deposited a protective cap of Pt on top of the grain to preserve the grain of interest and then milled away about 5 μm diameter of the surrounding material. Following the isotopic analyses, the spindle was extracted and thinned to electron transparency for TEM microstructural analyses. In situ heating TEM experiments on lunar samples. We extracted a FIB thin section from Apollo 17 lunar rock 76015. To avoid ion-beam damage, e-beam deposition was used to deposit the first 500 nm of the C strap, followed by ion beam-assisted deposition of ~3 μm carbon. We performed an ex situ lift-out of the section and placed the section on one of the elements of a microelectromechanical systems (MEMS) - specialized heating substrate and attached the section to the substrate by depositing small C straps with the FIB. The heating chips utilize silicon nitride windows to support the samples and provide uniform heating while enabling TEM imaging. The heating chip was loaded into a Hitachi “Blaze” heating holder and analyzed using a Hitachi HF5000 at the University of Arizona.

Rahman, Z.↗
DOE OSTI2022

Risk-Informed Approach for Regulatory Approval of Microreactor Transport

Pacific Northwest National Laboratory (PNNL) is addressing the challenges associated with safe transport of microreactors including the development and evaluation of regulatory options. PNNL developed a risk-informed regulatory framework for the licensing of the transportation of microreactors in which irradiated nuclear fuel is part microreactor transportation package. The framework lays out a viable regulatory pathway, including decision points for regulatory options and the supporting technical evaluations for those options in phases from near to long term. A microreactor and its contents will likely not be able to meet all the federal regulatory requirements as a Type B or fissile material transportation package under 10 CFR Part 71 (“Packaging and Transportation of Radioactive Material”). However, the regulatory framework developed by PNNL lays out a viable risk-informed licensing options that are safe and feasible. Risk assessment such as probabilistic risk assessment (PRA) can be used to show comparable safety to that provided by a Type B or fissile material package for surface transport. The framework includes guidance on applicable regulations and discusses historical precedence in using risk information for transportation licensing. The framework includes guidance for performing a microreactor transportation PRA, use and development of risk evaluation criteria, and factors such of defense-in-depth and safety margin concepts. Key advantages of using the approach are (1) increasing the likelihood of successfully obtaining regulatory transportation package approval, (2) informing the design on the relative risk significance of microreactor containment and shielding, and (3) informing the need for transportation compensatory measures. This paper focuses on two primary elements of the framework which are development of a transportation PRA for microreactor packages and development of the risk acceptance guidelines to assess the results of the PRA for regulatory decision-making.

microreactor, micro nuclear power plant, MNPP, ris↗
DOE OSTI2020

Intercalated water in aqueous batteries

The unprecedentedly growing demand for energy storage devices in recent years calls for diversified chemistries with unique advantages. When it comes to safety and cost, aqueous battery systems have attracted tremendous attention. Being a universal solvent, water can solvate the cations with rather high dehydration energy due to the hydrogen bonding environment, relatively small size and high polarity. Such properties make solvent co-intercalation, which is seen in a few of the non-aqueous systems, more likely to happen in aqueous batteries. Hydrated cations show drastically different behaviors from naked cations during intercalation/de-intercalation processes and hence enable many reactions that are otherwise difficult to proceed. This review summarizes the roles of co-intercalated water in aqueous batteries from how water molecules coordinate with cations to examples of water-mediated reactions in different types of host materials.

25 ENERGY STORAGE↗
DOE OSTI2024

Recent Progress on Dominant Sulfide‐Type Solid‐State Na Superionic Conductors for Solid‐State Sodium Batteries

Abstract Over the past decade, solid‐state batteries have garnered significant attentions due to their potentials to deliver high energy density and excellent safety. Considering the abundant sodium (Na) resources in contrast to lithium (Li), the development of sodium‐based batteries has become increasingly appealing. Sulfide‐based superionic conductors are widely considered as promising solid eletcrolytes (SEs) in solid‐state Na batteries due to the features of high ionic conductivity and cold‐press densification. In recent years, tremendous efforts have been made to investigate sulfide‐based Na‐ion conductors on their synthesis, compositions, conductivity, and the feasibility in batteries. However, there are still several challenges to overcome for their practical applications in high performance solid‐state Na batteries. This article provides a comprehensive update on the synthesis, structure, and properties of three dominant sulfide‐based Na‐ion conductors (Na 3 PS 4 , Na 3 SbS 4 , and Na 11 Sn 2 PS 12 ), and their families that have a variety of anion and cation doping. Additionally, the interface stability of these sulfide electrolytes toward the anode is reviewed, as well as the electrochemical performance of solid‐state Na batteries based on different types of cathode materials (metal sulfides, oxides, and organics). Finally, the perspective and outlook for the development and practical utilization of sulfide‐based SE in solid‐state batteries are discussed.

Guo, Xiaolin↗
DOE OSTI2020

Enzyme interactions on lignocellulosic biomass structure

This chapter shows that, although well studied over the years, the cellulose enzymatic hydrolysis process has still many obstacles to be overcome or minimized. High enzyme loading and relatively long incubation periods are generally required for effective cellulose saccharification to be achieved. These limitations make the process unattractive from an economic perspective. Most studies show that the conversion rate of cellulose hydrolysis decreases over reaction time due to several factors that may inhibit, deactivate, or slow the work of enzymes. Some of these factors are inhibition by the product generated; inhibition/deactivation of enzymes by by-products generated during pretreatment (PT); limitation of mass transfer; shear stress by high stirring; air–liquid interfacial area; and unproductive adsorption on lignin or other compounds present in the biomass. The interaction between cellulases and the lignin present in these biomasses has a major negative impact on the process, with the source of the raw material and the type of PT used having a strong influence on it. Finally, the use of nonenzymatic proteins seems to be the best way to mitigate this problem.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2024

Zero-strain high entropy spinel oxide (FeNiCuCrMn) 3 O 4 @rGO as high-performance anode for sodium ion battery

High entropy spinel oxides (HEOs), as a new type of anode material with at least five transition metal elements and high theoretical specific capacity, have enormous promise in sodium ion batteries (SIBs). However, the influence of different transition metal elements on the structure and electrochemical performances of HEOs is not clear. Here, in this study, the addition of Mn to HEO can increase the surface oxygen vacancy (O v ) concentration, shorten the band gap, and enhance the electrochemical performance of (FeNiCuCrMn) 3 O 4 @rGO. XPS results show (FeNiCuCrMn)3O4@rGO has the highest surface O v concentration. Ab initio calculations demonstrate that the indirect band gap of (FeNiCuCrMn)3O4@rGO is 0.068 eV. In situ X-ray diffraction and synchrotron X-ray absorption spectroscopy reveal that (FeNiCuCrMn) 3 O 4 @rGO exhibits a zero-strain characteristic with an inconsequential unit cell volume change of 0.2 %. Specifically, (FeNiCuCrMn) 3 O 4 @rGO as anode materials for SIBs show good cyclic stability (with a capacity retention of 84 % at 500 mA g −1 after 3000 cycles). Overall, this work provides a new direction for optimizing transition metal elements in HEOs.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Palm oil deoxygenation with glycerol as a hydrogen donor for renewable fuel production using nickel-molybdenum catalysts: The effect of support

Palm oil, one of the most widely used vegetable oils, offers significant potential as a sustainable feedstock for biofuel production. This study explores the deoxygenation of palm oil using glycerol as a hydrogen donor, with nickel-molybdenum (NiMo) catalysts supported on commercial alumina (Al 2 O 3 ), and zeolite (HZSM-5) comparing with self-prepared zirconia (ZrO 2 ). The catalysts were synthesized via incipient wetness impregnation and evaluated for their performance in biofuel production. NiMo/Al 2 O 3 exhibited the lowest oxygen removal efficiency (68.5 %), while NiMo/HZSM-5 achieved a higher oxygen removal (74.3 %) but also demonstrated the highest coke formation. The type of support material influenced the resulting biofuel range, with NiMo/HZSM-5 and NiMo/ZrO 2 favoring jet fuel production, whereas NiMo/Al 2 O 3 was more suitable for diesel production. Notably, NiMo/ZrO 2 exhibited the highest performance in palm oil deoxygenation while minimizing coke formation. These findings highlight NiMo/ZrO 2 as a promising catalyst for efficient and stable biofuel production, with the support material significantly influencing product yield and fuel quality.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Design of a bifunctional TEMPO-tertiary amine mesoporous silica catalyst for the three-step cascade synthesis of a chromene derivative

A key challenge is design of materials and processes whereby competing reagents or conditions do not harm the multi-step sequence, thus allowing for more efficient chemical synthesis with elimination of work-up and separation steps. In this work, a three-step reaction cascade is performed using a porous bifunctional dimethylpropylamine-TEMPO-MCM41 catalyst, converting the commodity chemicals benzyl alcohol, sodium hypochlorite, and malononitrile to a biologically active anti-cancer, and anti-malarial 2-amino-chromene derivative. The cascade first utilizes a TEMPO-catalyzed oxidation of benzyl alcohol to benzaldehyde with NaOCl as the terminal oxidant. This is followed by a two-step, dual base catalyzed Knoevenagel condensation with malononitrile followed by a Michael addition with lawsone. Optimal conditions converting benzyl alcohol to 2-amino-5,10-dioxo-4-phenyl-5,10-dihydro-4H-benzo[g]chromene-3-carbonitrile include the delayed addition of malononitrile and lawsone during the three-step reaction sequence, which results in a 2-amino-chromene yield of over 80%. The importance of stepwise reagent addition is rationalized due to the unfavorable adsorption of acidic lawsone on the surface-grafted base catalyst. Tertiary Brønsted base sites of dimethylpropylamine outperform the more Lewis basic primary propylamine functionalized catalyst. This work outlines a simple and effective method for generating mesoporous materials with two types of active sites via co-condensation and thiol-ene coupling procedures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Characterization of EJ-270 and Ce-doped LiCAF scintillators for the development of high-rate neutron reflectometer detectors

The Second Target Station of the Spallation Neutron Source at Oak Ridge National Laboratory is anticipated to provide a neutron source with ∼20 times increase in peak brightness than the First Target Station. The neutron reflectometers currently in operation at the First Target Station need to be upgraded due to the increased neutron flux. A prototype neutron detector module based upon a pixelated scintillator array readout by silicon photomultipliers is being developed to address the high-rate challenge faced with future neutron reflectometer instruments at the Second Target Station. Two types of scintillator materials were considered for this detector development, i.e., 6 Li-loaded EJ-270 plastic scintillator and Ce-doped LiCAF single crystal. This paper reports the scintillator characterization results, including light yield, pulse shape discrimination performance, capability to detect thermal neutrons in a high γ-ray field, and γ-ray sensitivity. The number of photons produced per neutron capture by EJ-270 and LiCAF:Ce was measured to be 2176 ± 91 and 2651 ± 108, respectively. EJ-270 demonstrated a good capability to discriminate between neutrons and γ-rays by employing the commonly used charge comparison method (figure-of-merit: 1.13 ± 0.01 for an energy cut of 292–426 keVee) and a reasonable performance when using the time-over-threshold techniques; however, no discrimination was observed from LiCAF:Ce regardless of the pulse shape discrimination approaches utilized, making pulse height discrimination necessary for LiCAF:Ce to differentiate between neutrons and γ-rays. Both EJ-270 and LiCAF:Ce exhibited an acceptable capacity to detect thermal neutrons at high exposure rates up to approximately 584 mR/h. Furthermore, the γ-ray sensitivities measured with a 60 Co source at an exposure rate of around 1145 mR/h were determined to be (6.11 ± 0.87) × 10 −6 and (7.64 ± 1.08) × 10 −7 for EJ-270 and LiCAF:Ce, respectively.

EJ-270↗
DOE OSTI2025

Raman Fingerprints of Phase Transitions and Ferroic Couplings in van der Waals Multiferroic CuCrP 2 S 6

CuCrP 2 S 6 (CCPS), a type-II multiferroic material, exhibits unique phase transitions involving ferroelectric, antiferroelectric, and antiferromagnetic ordering. Here, in this study, we conduct a comprehensive investigation on the intricate phase transitions and their multiferroic couplings in CCPS across a wide temperature range from 4 to 345 K through Raman spectroscopic measurements down to 5 cm –1 . We first assign the observed Raman modes with the support of theoretical calculations and angle-resolved polarized Raman measurements. We further present clear signatures of phase transitions from the analyses of temperature-dependent Raman spectral parameters. Particularly, two low-frequency soft modes are observed at 36.1 cm –1 and 70.5 cm –1 below 145 K, indicating the antiferroelectric to quasi-antiferroelectric transition. Moreover, phonon mode hardening is observed when the temperature increases from 4 to 65 K, suggesting negative thermal expansion (NTE) and strong magnetoelastic coupling below 65 K. These findings advance the understanding of vdW multiferroic CCPS, paving the way for future design and engineering of multiferroicity in cutting-edge technologies, such as spintronics and quantum devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Asymmetric pathways for lithium extraction and recovery based on the two-phase equilibrium of layered oxides

Electrochemical intercalation offers a promising platform for Li + extraction. However, only limited types of electrode materials have been investigated. The challenge to broaden and tailor materials for electrochemical intercalation-based Li + extraction lies in the lack of understanding of material’s response upon co-intercalation of multiple ions, therefore, paired process design to enable reversible Li + extraction and recovery. Here, we showcase the design of asymmetric ion pathways for Li + extraction and recovery for host material with complex Li + and Na + interaction using layered cobalt oxide as a model material. The two-phase equilibrium of Na 0.48 CoO 2 and Li 0.94 CoO 2 governs Li + selectivity when a high depth of intercalation is achieved (low vacancy level). We show that the relative rate between ion exchange and intercalation is critical to determine the ion pathways. The relationship can be quantitatively compared using the average pseudo ion exchange rate (C pseudoIX ) and the intercalation rate (C inter ). The ion pathways at the three regimes with C pseudoIX > C inter , C pseudoIX ~ C inter , and C pseudoIX < C inter are constructed. By selecting the optimized ion pathway and particle size, we demonstrate 9.7×10 4 Li + selectivity with 99% purity Li + recovery from an initial 1:1000 Li: Na molar ratio solution using 115 mAh/g specific capacity.

electrochemistry↗