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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Dynamics of Glyceline and Interactions of Constituents: A Multitechnique NMR Study

In this work, the dynamics of the organic components of the deep eutectic solvent (DES) glyceline are analyzed using an array of complementary nuclear magnetic resonance (NMR) methods. Fast-Field Cycling 1 H relaxometry, Pulsed Field Gradient diffusion, Nuclear Overhauser Effect Spectroscopy (NOESY), 13 C NMR relaxation and pressure dependent NMR experiments are deployed to sample a range of frequencies and modes of motion of the glycerol and choline components of the DES. Generally, translational and rotational diffusion of glycerol are more rapid than those of choline while short range rotational motions observed from 13 C relaxation indicate slow local motion of glycerol at low choline chloride (ChCl) content. The rates of glycerol and choline local motions become more similar at higher ChCl. This result taken together with pressure dependent NMR studies show that the addition of ChCl makes it easier to disrupt glycerol packing. Finally, a relatively slow hydroxyl H-exchange process between glycerol and choline protons is deduced from the data. Consistent with this, NOESY results indicate relatively little direct H-bonding between glycerol and choline. These results suggest that the glycerol H-bonding network is disrupted as choline is added, but primarily in regions where there is intimate mixing of the two components. Thus, the local dynamics of most of the glycerol, resembles that of pure glycerol until substantial choline chloride is present.

13C NMR relaxation↗
DOE OSTI2022

Polymer-Stabilized Liquid Metal Nanoparticles as a Scalable Current Collector Engineering Approach Enabling Lithium Metal Anodes

Dendrites and dead lithium formation over prolonged cycling have long been challenges that hinder the safe implementation of metallic Li anodes. In this study, we employ polymer-stabilized liquid metal nanoparticles (LM-P NPs) of eutectic gallium indium (EGaIn) to create uniform Li nucleation sites enabling homogeneous lithium electrodeposition. Block copolymers of poly(ethylene oxide) and poly(acrylic acid) (PEO-b-PAA) were grafted onto the EGaIn surface, forming stabilized, well-dispersed NPs. Using a scalable spray coating approach, LM-P NPs were fabricated on copper current collectors, providing lithiophilic PEO sites and interactive carboxyl groups to guide Li deposition. The Li-EGaIn alloying process greatly reduced the Li + diffusion barrier, enabling fast Li transport through the coating layer, resulting in decreased nucleation overpotential. Therefore, about five times lower Li nucleation overpotential was obtained on the LM-P modified Cu with an optimal composition of the polymers than the bare Cu substrates. DFT computations was used to reveal the binding properties between the LM-P layer and Li. Due to the regulated Li plating/stripping process, as-obtained 30 μm Li anodes paired with LiNi 0.8 Co 0.1 Mn 0.1 O 2 (NCM8 11 ) with a negative/positive electrode capacity (N/P) ratio ~ 10 exhibited stable cycling performance at 0.5C for over 250 cycles, with an average Coulombic efficiency of 99.55%. Ultrathin Li (1 μm) anodes with an N/P ratio ~ 0.6 were also demonstrated in Li|LiFePO 4 cells, which examined the stabilization of Li by LM-P NPs and monitored practical loadings of Li anodes that are close to anode-free systems.

25 ENERGY STORAGE↗
DOE OSTI2025

Transforming CO 2 to Porous Carbon as a High-Performing Sodium-Ion Battery Anode via Electrochemical Reduction in Molten Carbonates

The prevalence of sodium over lithium prompts exploration of sodium-ion batteries (SIBs) as a viable alternative to lithium-ion batteries (LIBs). Hard carbon has emerged as a promising anode material for SIBs, yet its synthesis poses sustainability challenges and emits pollutants. Here, in this study, we introduce CO 2 -derived porous carbon (graphitic and amorphous) as an anode for SIBs via electrochemical reduction of CO 2 in a molten eutectic carbonate salt at a lower temperature that yields materials with controlled microstructure, morphology, and porosity conducive to energy storage. Our CO 2 -derived carbon demonstrates remarkable specific capacity, superior rate capability, and stable cycling performance as a SIB anode. This innovative strategy harnesses waste CO 2 toward advancing SIB energy technology.

CO2-derived carbon↗
DOE OSTI2018

Assessing the Facile Pretreatments of Bagasse for Efficient Enzymatic Conversion and Their Impacts on Structural and Chemical Properties

Here, novel and sustainable pretreatment approaches are desired to improve the techno-commercial feasibility of biorefineries in the future. In this study, 10 renewable deep eutectic solvents (DESs) were evaluated for their pretreatment efficiency at facile conditions with sugar cane bagasse as substrate and compared with conventional pretreatment approaches (dilute alkali, dilute acid, and ionic liquid (IL)) for lignin removal, saccharification yield, cellulose accessibility, crystallinity, and physiochemical properties. Although, the highest delignification was obtained with dilute alkali (59.7%) and choline chloride:lactic acid or ChCl:LA (50.6%), the maximum enzymatic conversion of 98.0% and 90.4% was observed with IL (1-butyl-3-methylimidazolium acetate) and ChCl:LA, respectively. uclear magnetic resonance analysis of ChCl:LA-derived lignin showed selective removal of guaiacyl lignin without condensation structure formation observed. Interestingly, unlike IL, the lignin was substantially depolymerized after ChCl:LA pretreatment as determined by gel permeation chromatography. Further, high compatibility of ChCl:LA with cellulase in comparison of IL with easy recyclability and recycling showed that DESs synthesized from a renewable resource are promising “green” solvents for future biorefinery operations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Solvent Screening for Separation Processes Using Machine Learning and High-Throughput Technologies

As the chemical industry shifts toward sustainable practices, there is a growing initiative to replace conventional fossil-derived solvents with environmentally friendly alternatives such as ionic liquids (ILs) and deep eutectic solvents (DESs). Artificial intelligence (AI) plays a key role in the discovery and design of novel solvents and the development of green processes. This review explores the latest advancements in AI-assisted solvent screening with a specific focus on machine learning (ML) models for physicochemical property prediction and separation process design. Additionally, this paper highlights recent progress in the development of automated high-throughput (HT) platforms for solvent screening. Finally, this paper discusses the challenges and prospects of ML-driven HT strategies for green solvent design and optimization. To this end, this review provides key insights to advance solvent screening strategies for future chemical and separation processes.

Artificial intelligence↗
DOE OSTI2018

Coercivity enhancement in heavy rare earth-free NdFeB magnets by grain boundary diffusion process

Grain boundary diffusion of a Pr 3 (Co,Cu) eutectic alloy has been performed for coercivity enhancement on Nd-lean Nd 10 Fe 84 B 6 nanocrystalline ribbons. The coercivity increases from 0.5 T to 2.5 T after 6 h of infiltration at 600 °C. High resolution electron microscopy and energy dispersive X-ray spectroscopy show that the excess α-Fe present in the initial samples diminishes during infiltration, giving rise to the formation of a Rare Earth-rich RE-Fe inter-boundary phase and a layer of (Nd,Pr) 2 Fe 14 B close to the surface of the hard magnetic grains. Such a microstructure favours the coercivity by increasing the nucleation field for reversal magnetization and providing magnetically isolated/decoupled hard grains.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Broadband NMR relaxometry of electrolytes for energy storage

An increasing use of the fast field cycling nuclear magnetic resonance relaxometry technique to investigate dynamics in electrolytes for energy storage has been evidenced during the last decade. Therefore, this review article describes some of the research carried out on electrolytes during the last ten years using this technique. These studies include various types of liquid electrolytes, such as ionic liquids and deep eutectic solvents, semi-solid-state electrolytes, in particular ionogels and polymer gels, and solid electrolytes such as glasses, glass ceramics and polymers. Here, an extended description of the different models used to explain the relaxation rate profiles is presented throughout this article.

25 ENERGY STORAGE↗
DOE OSTI2017

Three-dimensional mesostructures as high-temperature growth templates, electronic cellular scaffolds, and self-propelled microrobots

Recent work demonstrates that processes of stress release in prestrained elastomeric substrates can guide the assembly of sophisticated 3D micro/nanostructures in advanced materials. Reported application examples include soft electronic components, tunable electromagnetic and optical devices, vibrational metrology platforms, and other unusual technologies, each enabled by uniquely engineered 3D architectures. A vast disadvantage of these systems is that the elastomeric substrates, while essential to the assembly process, can impose significant engineering constraints in terms of operating temperatures and levels of dimensional stability; they also prevent the realization of 3D structures in freestanding forms. In this work, we introduce concepts in interfacial photopolymerization, nonlinear mechanics, and physical transfer that bypass these limitations. The results enable 3D mesostructures in fully or partially freestanding forms, with additional capabilities in integration onto nearly any class of substrate, from planar, hard inorganic materials to textured, soft biological tissues, all via mechanisms quantitatively described by theoretical modeling. Illustrations of these ideas include their use in 3D structures as frameworks for templated growth of organized lamellae from AgCl–KCl eutectics and of atomic layers of WSe 2 from vapor-phase precursors, as open-architecture electronic scaffolds for formation of dorsal root ganglion (DRG) neural networks, and as catalyst supports for propulsive systems in 3D microswimmers with geometrically controlled dynamics. Taken together, these methodologies establish a set of enabling options in 3D micro/nanomanufacturing that lie outside of the scope of existing alternatives.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Code Validation of SAM Using Forced and Natural Circulation Data from NACIE-UP Benchmark

Heavy liquid metals (HLMs) are promising candidates as coolants of Generation IV fast reactors due to their thermophysical properties. In the last decade, experimental work has been proposed as part of research and development efforts to develop such systems. In this context, researchers from the Brasimone Research Center have conducted many experiments using the Natural Circulation Experiment Upgrade (NACIE-UP) facility to study the thermofluid dynamic behavior of HLMs in rod bundle configurations with or without wire wrappers. This facility consists of a rectangular loop operated with lead-bismuth eutectic. Sensors across the loop monitor relevant parameters, i.e. temperatures, heat transfer, and flow conditions. Here, in the present work, we carefully select published data from NACIE-UP to validate the System Analysis Module (SAM), a modern system analysis code developed at Argonne National Laboratory. We developed one SAM model using specifications of the facility geometry and materials existing in relevant papers and reports. On top of that, these references provided the boundary conditions for simulating natural circulation and forced convection experiments in either steady or transient conditions. The SAM model simulates five test cases with diverse operating conditions. Ultimately, the code is proven to predict temperatures and mass flow rates that closely match the experiments. The discrepancies between numerical predictions and diverse transients are limited to a few degrees Celsius, showcasing that SAM is well suited for analyzing nuclear systems relying on HLM coolants.

advanced reactors↗
DOE OSTI2022

Recent Advances in the Chemistry of Hydrometallurgical Methods

Producing pure substances has been the obsession of scientists for centuries and has defined chemistry as we know it. Nowadays, most of our economy still relies on the chemist ability to extract and purify metallic elements from raw or recycled materials, which, in most cases, is done partly or entirely via hydrometallurgical methods. In this work, the authors present the critical aspects of this relatively overlooked, yet critical, chemistry discipline. This review article highlights the importance of hydrometallurgical processes for strategic industrial sectors, put in perspective traditional separation methods with emerging ones (new metal-binding chelators, ionic liquids, deep eutectic solvents, microfluidic devices, biomaterials, etc.), critically reviews progress made on separation methods over the past two decades, and highlights the challenges lying ahead for the hydrometallurgists in academia and the industry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Lithium source for focused ion beam implantation and analysis

In this work, we present a new Li source for focused ion beam applications. Based on an AuSi eutectic alloy, Li is added as an impurity to minimize effects from degradation when exposed to air. We show the source is stable over the course of an hour and spot sizes ≲10 nm can be achieved. The Li beam can achieve hundreds of nanometer ranges in semiconductors with minimal damage being generated along the path length. The source performance is evaluated through a high-resolution ion beam induced charge collection experiment on an Si-based detector. Further application of the source for ion beam analysis is numerically explored; the example investigated is based on probing a semiconductor heterostructure through a Rutherford backscattering experiment, where the Li beam can reveal information that is inaccessible with either low energy or high energy He projectiles used as probes.

36 MATERIALS SCIENCE↗
DOE OSTI2017

The Effect of Vanadium on Morphology and Chemical Composition of Carbides in High Alloyed Chromium–Molybdenum Steels

Despite of the permanent progress of technique and finding of the new, modern materials that successfully replace metals, steel continues to play an important role in the technical practice. The tendency is to discover the new alloys with better mechanical and technological characteristics, compared to conventional and standard types of steels. High-alloyed Cr–Mo steel, with a high content of Vanadium is the new type of wear resistant material, with high hardness and satisfactory impact and fracture toughness. During the solidification process Vanadium, as a strong carbide forming element, creates a network of M{sub 7}C{sub 3} type carbide grains around the metal matrix, while in the matrix, the finely dispersed V{sub 6}C{sub 5} type carbides are formed. In this paper, the chemical composition and morphology have been studied of carbides and the other phases present in the metal matrix in 1.4 wt % C, 12 wt % Cr, 1.0 wt % Mo steels with additions up to 3.0 wt % V. Experimental results indicate that Vanadium affects the solidification process in high Chromium steel. Vanadium is distributed between eutectic M{sub 7}C{sub 3} carbide and the matrix, but its content in carbides is considerably higher. Vanadium changed the microstructure parameters of phases present in the structure of alloys, including volume fraction, size and morphology.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Dynamical shift of NMR lines in nanostructured Ga–In–Sn melt

NMR spectrum and recovery of longitudinal nuclear magnetization after inverting pulses were measured for isotopes {sup 69}Ga and {sup 71}Ga in a liquid eutectic alloy Ga–In–Sn introduced in porous glasses having pores with the sizes of 25 and 7 nm. The measurements were conducted in the fields of 9.4, 11.7, and 17.6 T and compared with those for the bulk melt sample. Differences between the shape and position of the NMR lines in various fields and for different gallium isotopes were revealed in the melt introduced into the porous glass with the pores size of 7 nm. Data obtained for this sample were interpreted based on the theoretical model of dynamic quadrupolar shift, and correlation time of atomic motion was found within this model. Characteristics of the atomic motion calculated based on the dynamic shift model and from the spin relaxation data were shown to agree with each other.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

A Possible Liquid–Liquid Transition in a Ga–In Melt Introduced into an Opal Matrix

The temperature evolution of the Ga{sub 94}In{sub 6} liquid alloy introduced into an opal matrix has been studied by the NMR method in the temperature range 300–155 K. The temperature dependences of the position and the intensity of the NMR signals from {sup 71}Ga, {sup 69}Ga, and {sup 115}In isotopes have been measured upon cooling and heating of the nanocomposite. The {sup 71}Ga NMR line has been observed to be split into two components on cooling below 176 K with a transfer of the intensity to the high-frequency component. The results demonstrate an induced by nanoconfinement shift of the eutectic point in the alloy and the liquid–liquid phase transition in the indium depleted part of the melt.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Editors’ Choice—Molten Salt Electrolysis in Chloride Melts for Energy-Efficient Iron Metal Production

This study explores chloride molten salt electrolysis (CMSE) as a promising route for energy-efficient iron metal (Fe) production. Moderate temperature (500 °C) LiCl-KCl molten salts offer excellent thermodynamic stability, high ionic conductivity and diffusivity, and high solubility for FeCl 3 , thereby enabling efficient Fe metal extraction at high electrowinning rates. Here, we demonstrate the two essential steps for converting taconite ore into Fe metal. First, Fe 2 O 3 from taconite pellets was selectively leached in HCl yielding a high-purity FeCl 3 aqueous solution, while the gangue components settled at the bottom. Then, anhydrous FeCl 3 was electrolyzed in a LiCl-KCl eutectic molten salt at 500 °C at high current density (1 A cm −2 ) and at high Coulombic efficiency (>85%). Analysis of the electrowon Fe deposits revealed dendritic structures with purity of >99 wt%, which could be further improved to nearly 100 wt% through arc re-melting. CMSE offers low specific energy consumption (3.7 kWhr kg −1 ), competitive with H 2 -DRI and other electrolytic approaches being pursued globally. Our findings underscore the potential of CMSE as an energy-efficient route for electrosynthesis of Fe metal.

36 MATERIALS SCIENCE↗
DOE OSTI2018

An alkali-free method to manufacture ramie fiber

Ramie is one of the most significant fiber resources and it needs the degumming process to produce fibers. The traditional manufacturing process of ramie fibers requires a large amount of alkali, which causes serious environmental issues. This paper presents a novel path to manufacture ramie fibers without alkali. In this study, ramie bast was pretreated by steam explosion and then treated with deep eutectic solvent. The properties of ramie fibers prepared by the novel alkali-free method, including physical properties, Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM) and X-ray diffraction (XRD), were compared with that produced by the traditional alkali process. Results showed that the fiber qualities, including residual gum content (4.68%), average fiber fineness (1419.99 N m ) and breaking tenacity (5.98 cN/dtex), were comparable with the traditional alkali process, which all meet the requirement of the relevant Chinese National Standards. The FTIR, SEM and XRD results all confirmed the degumming ability of the novel method to manufacture ramie fibers. Furthermore, the novel method was proved to be eco-friendly. Taken together, these data indicate that the novel alkali-free method is green and effective in manufacturing ramie fibers.

42 ENGINEERING↗
DOE OSTI2018

Accelerator-Driven Subcritical System for Disposing of the U.S. Spent Nuclear Fuel Inventory

The current United States inventory of the spent nuclear fuel (SNF) is ~80,000 metric tons of heavy metal (MTHM), including ~131 tons of minor actinides (MAs) and ~669 tons of plutonium. This study describes a conceptual design of an accelerator-driven subcritical (ADS) system for disposing of this SNF inventory by utilizing the 131 tons of MAs inventory and a fraction of the plutonium inventory for energy production, and transmuting some long-lived fission products. An ADS system with a homogeneous subcritical fission blanket was first examined. A spallation neutron source is used to drive the blanket and it is produced from the interaction of a 1-GeV proton beam with a lead-bismuth eutectic (LBE) target. The blanket has a liquid mobile fuel using LBE as the fuel carrier. The fuel materials are dissolved, mixed, or suspended in the liquid fuel carrier. Monte Carlo analyses were performed to determine the overall parameters of the concept. Steady-state Monte Carlo simulations were performed for three similar fission blankets. Except for, the loaded amount of actinide materials in the LBE is either 5, 7, or 10% of the total volume of the blanket, respectively. The neutron multiplication factors of the three blankets are ~0.98 and the initial MAs blanket inventories are ~10 tons. In addition, Monte Carlo burnup simulations using the MCB5 code were performed to analyze the performance of the three conceptual ADS systems. During operation, fresh fuel was fed into the fission blanket to adjust its reactivity and to control the system power. The burnup analysis shows that the three ADS concepts consume about 1.2 tons of actinides per full power year and produce 3 GW thermal power, with a proton beam power of 25 MW. For the blankets with 5, 7, or 10% actinide fuel particles loaded in the LBE, assuming that the ADS systems can be operated for 35 full-power years, the total MA materials consumed in the three ADS systems are about 30.6, 35.3, and 37.2 tons, respectively. Thus, the corresponding numbers of ADS systems to utilize the 131 tons of MA materials of the SNF inventory are 4.3, 3.7, or 3.5, respectively. ADS concepts with tube bundles inserted in the fission blanket were analyzed to overcome the disadvantages of the homogeneous blanket concept. The liquid lead is used as the target material, the mobile fuel carrier, and the primary coolant to avoid the polonium production from bismuth. Reactor physics and thermal-hydraulic analyses were coupled to determine the parameters of the heterogeneous fission blanket. The engineering requirements for a satisfactory operation performance of the HT-9 ferritic steel structure material have been realized. Two heterogeneous concepts of the subcritical fission blanket with the liquid lead mobile fuel inside or outside the tube bundles were considered. The heterogeneous configuration with the mobile fuel inside the tubes showed better performance than the configuration with mobile fuel outside the bundle tubes. The Monte Carlo burnup codes, MCB5 and SERPENT were both used to simulate the fuel burnup in the ADS concepts with the mobile fuels inside the tubes. The burnup analyses were carried out for 35 full power years. The results show that 5 ADS systems can dispose of the total United States inventory of the spent nuclear fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Integrated Biorefinery of Brewer’s Spent Grain for Second-Generation Ethanol, Mycoprotein, and Bioactive Vinasse Production

Brewer’s spent grain (BSG), the main lignocellulosic by-product of the beer industry, represents an abundant yet underutilized resource with high potential for valorization. This study presents an integrated biorefinery approach to convert BSG into second-generation (2G) ethanol, bioactive vinasse for plant growth promotion, and fungal biomass as a potential mycoprotein source. The biomass was first subjected to biological delignification using the white-rot fungus Ganoderma lucidum, after which two valorization routes were explored: (i) evaluation of the fungal biomass as a mycoprotein candidate and (ii) alcoholic fermentation for ethanol production. For the latter, three pretreatment strategies were assessed (diluted sulfuric acid and two deep eutectic solvents (DESs) based on choline chloride combined with either glycerol or lactic acid) followed by a one-pot enzymatic saccharification and fermentation using Kluyveromyces marxianus SLP1. The highest ethanol yield on substrate (YP/S) was achieved with [Ch]Cl:lactic acid pretreatment (0.46 g/g, 89.32% of theoretical). Vinasse, recovered after distillation, was characterized for organic acid content and tested on Solanum lycopersicum seed germination, showing promising biostimulant activity. Overall, this work highlights the potential of BSG as a sustainable feedstock within circular economy models, enabling the production of multiple bio-based products from a single residue.

Ganoderma lucidum↗