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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Plastic and low-cost axial zero thermal expansion alloy by a natural dual-phase composite

Zero thermal expansion (ZTE) alloys possess unique dimensional stability, high thermal and electrical conductivities. Their practical application under heat and stress is however limited by their inherent brittleness because ZTE and plasticity are generally exclusive in a single-phase material. Besides, the performance of ZTE alloys is highly sensitive to change of compositions, so conventional synthesis methods such as alloying or the design of multiphase to improve its thermal and mechanical properties are usually inapplicable. In this study, by adopting a one-step eutectic reaction method, we overcome this challenge. A natural dual-phase composite with ZTE and plasticity was synthesized by melting 4 atom% holmium with pure iron. The dual-phase alloy shows moderate plasticity and strength, axial zero thermal expansion, and stable thermal cycling performance as well as low cost. By using synchrotron X-ray diffraction, in-situ neutron diffraction and microscopy, the critical mechanism of dual-phase synergy on both thermal expansion regulation and mechanical property enhancement is revealed. These results demonstrate that eutectic reaction is likely to be a universal and effective method for the design of high-performance intermetallic-compound-based ZTE alloys.

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

High performance, electroforming-free, thin film memristors using ionic Na 0.5 Bi 0.5 TiO 3

Here, in ionically conducting Na 0.5 Bi 0.5 TiO 3 (NBT), we explore the link between growth parameters, stoichiometry and resistive switching behavior and show NBT to be a highly tunable system. We show that the combination of oxygen ionic vacancies and low-level electronic conduction is important for controlling Schottky barrier interfacial switching. We achieve a large ON/OFF ratio for high resistance/low resistance ( R HRS / R LRS ), enabled by an almost constant R HRS of ~10 9 Ω, and composition-tunable R LRS value modulated by growth temperature. R HRS / R LRS ratios of up to 10 4 and pronounced resistive switching at low voltages (SET voltage of <1.2 V without high-voltage electroforming), strong endurance (no change in resistance states after several 10 3 cycles), uniformity, stable switching and fast switching speed are achieved. Of particular interest is that the best performance is achieved at the lowest growth temperature studied (600 °C), which is opposite to the case of most other perovskite oxides for memristors, where higher growth temperatures are required for optimum performance. This is understood based on the oxygen vacancy control of interfacial switching in NBT, whereas a range of other mechanisms (including filamentary switching) occur in other perovskites. The study of NBT has enabled us to determine key parameters for achieving high performance memristors.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Controlled lithium stripping enables a stable interface for long-cycling anode-free solid-state batteries

Anode-free solid-state batteries (AFSSBs) are a promising route toward achieving high energy density. In these cells, the anode contains no pre-stored lithium (Li). Instead, the entire Li inventory originates from the cathode and is freshly deposited onto a bare current collector during charging. However, achieving uniform and defect-free Li plating on this bare current collector remains a major challenge, often resulting in low Li plating/stripping efficiency and rapid capacity decay. Here, for the first time, operando neutron imaging is employed to visualize Li plating/stripping behavior in an anode-free full cell with LiNi0.82Mn0.07Co0.11O2 (NMC) as the cathode. Operando measurements reveal that complete stripping of Li leaves isolated Li residues on the current collector, which degrades the interfacial contact between the current collector and the solid-state electrolyte. To mitigate this interfacial issue and promote more uniform Li deposition, we implement a discharge-cutoff-voltage strategy that intentionally retains a thin residual Li layer after stripping. This preserved Li-containing interfacial reservoir not only improves interfacial contact but also serves as an in situ formed seed layer that enables more homogeneous subsequent Li plating. As a result, the optimized anode-free cell with limited stripping depth exhibits excellent long-term cycling stability, maintaining a discharge capacity of 112.1 mAh g−1 with a capacity retention of 80.6% and an average coulombic efficiency of approximately 99.9% after 500 cycles at 0.25 C. In contrast, the cell with a conventional discharge cutoff voltage of 2.8 V exhibits rapid capacity decay, retaining only 59.7 mAh g−1 after 50 cycles with a capacity retention of 40.7%. This work demonstrates that limiting deep stripping to preserve a thin Li-containing interfacial layer can effectively improve the cycling stability of sulfide-based AFSSBs.

Wang, Jiwei [Northeastern University, Boston]↗
DOE OSTI2024

Nonlinear dynamics of multiple Alfvén modes driven by trapped energetic ions in tokamaks: A triplet paradigm

Non-linear dynamics of multiple infernal Alfvén eigenmodes—a subset of global Alfvén eigenmodes in tokamak plasmas with extended low-shear central core [Marchenko et al., Phys. Plasmas 16, 092502 (2009)]—is studied. The analysis is carried out for a mode triplet with toroidal mode-numbers n=1, 2, 3. It was assumed that the n = 1 mode was linearly unstable due to precession resonance with trapped fast ions, whereas the other modes were linearly damped. The modes were coupled due to a non-linearity in a bounce-averaged drift kinetic equation for the distribution function of fast ions. Nonlinear equations for the mode amplitudes and phases are derived and solved numerically. It is found that the temporal evolution of the amplitudes and the phase (responsible for the frequency chirping) of the modes exhibit Hopf bifurcations to stable limit cycles. This can explain a synchronous cyclic destabilization of multiple modes in Alfvén avalanches (sudden growth of amplitudes of the mode cluster with different n and approximately equal frequency spacing) in NSTX and bursting modes in MAST—events, which resulted in enhanced loss of fast ions.

Marchenko, V. S. (ORCID:0000000261480533)↗
DOE OSTI2023

PoolDilutionR : An R package for easy optimization of isotope pool dilution calculations

Abstract Isotopic pool dilution is a powerful approach to quantify gross biogeochemical transformation rates, but remains seldom used despite its potential. To facilitate broader implementation of pool dilution methods, we present a user‐friendly R package that optimizes gross production and consumption rates (and optionally fractionation constants as well) based on standard pool dilution time series data. This package features extensive documentation and example analyses, and is easily integrated into analytical pipelines. With this open‐source tool, the biogeochemistry community will be able to readily apply isotope pool dilution to a wide range of processes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Thin film design of amorphous hafnium oxide nanocomposites enabling strong interfacial resistive switching uniformity

A design concept of phase-separated amorphous nanocomposite thin films is presented that realizes interfacial resistive switching (RS) in hafnium-oxide-based devices. The films are formed by incorporating an average of 7% Ba into hafnium oxide during pulsed laser deposition at temperatures ≤400°C. The added Ba prevents the films from crystallizing and leads to ~20-nm-thin films consisting of an amorphous HfO x host matrix interspersed with ~2-nm-wide, ~5-to-10-nm-pitch Ba-rich amorphous nanocolumns penetrating approximately two-thirds through the films. This restricts the RS to an interfacial Schottky-like energy barrier whose magnitude is tuned by ionic migration under an applied electric field. Resulting devices achieve stable cycle-to-cycle, device-to-device, and sample-to-sample reproducibility with a measured switching endurance of ≥10 4 cycles for a memory window ≥10 at switching voltages of ±2 V. Each device can be set to multiple intermediate resistance states, which enables synaptic spike-timing–dependent plasticity. The presented concept unlocks additional design variables for RS devices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Nitrogen Source Governs Community Carbon Metabolism in a Model Hypersaline Benthic Phototrophic Biofilm

Increasing anthropogenic inputs of fixed nitrogen are leading to greater eutrophication of aquatic environments, but it is unclear how this impacts the flux and fate of carbon in lacustrine and riverine systems. Here, we present evidence that the form of nitrogen governs the partitioning of carbon among members in a genome-sequenced, model phototrophic biofilm of 20 members. Consumption of NO 3 – as the sole nitrogen source unexpectedly resulted in more rapid transfer of carbon to heterotrophs than when NH 4 + was also provided, suggesting alterations in the form of carbon exchanged. The form of nitrogen dramatically impacted net community nitrogen, but not carbon, uptake rates. Furthermore, this alteration in nitrogen form caused very large but focused alterations to community structure, strongly impacting the abundance of only two species within the biofilm and modestly impacting a third member species. Our data suggest that nitrogen metabolism may coordinate coupled carbon-nitrogen biogeochemical cycling in benthic biofilms and, potentially, in phototroph-heterotroph consortia more broadly. It further indicates that the form of nitrogen inputs may significantly impact the contribution of these communities to carbon partitioning across the terrestrial-aquatic interface.

carbon cycling↗
DOE OSTI2021

Molten Salt Assisted Low-Temperature Electro-Catalytic Graphitization of Coal Chars

A great effort has been centered around developing clean energy technologies (energy storage devices) to curtail burning fossil fuels' deleterious environmental effects. Rechargeable batteries [lithium-ion batteries (LIBs)] are among the most invested and investigated storage devices showing potential to transform fossil fuel-powered mobility to next-generation safe electromobility. However, LIBs powered electric vehicles (EV) are expensive due to the high-cost graphite anode associated with LIBs. Herein, the synthesis of low-cost, highly crystalline nano-graphite with a tunable microstructural architecture has been demonstrated via molten salt assisted low-temperature electro-catalytic graphitization of coal chars, traditionally non-graphitizable carbon. Thus, graphite derived from coal chars exhibited nanoflake architecture and delivered high reversible capacity, stable long cycle life, and excellent electrochemical performance under fast charging/discharging conditions (5C, ~12 min charge/discharge time). This finding paves the way to manufacture cost-effective high-energy-density batteries using as-synthesized graphite from readily available coal sources that could propel the EVs to the next level.

25 ENERGY STORAGE↗
DOE OSTI2021

Communication—Functional Conductive Polymer Binder for Practical Si-Based Electrodes

Multifunctional conductive binders represent an emerging class of polymer materials to address inherent challenges of Si electrodes for high capacity lithium-ion batteries. Advanced binders with oriented functionalities are greatly desired to facilitate the battery chemistry. We here report stable capacity cycling of a practical composite anode comprising industrial available SiO x (>60 wt%), carbon materials and a conductive polymer binder—poly(9,9-dioctylfluorene- co -fluorenonecomethylbenzoic ester) (PFM). This multifunctional polymer functions as both an interface modifier and an electrode binder for high-performing SiO x composite electrodes. The viability of multifunctional conductive polymer binders was further validated in a practical full cell.

25 ENERGY STORAGE↗
DOE OSTI2022

All Solid-State Li/LLZO/LCO Battery Enabled by Alumina Interfacial Coating

Li 7 La 3 Zr 2 O 12 (LLZO) garnet-type lithium-ion conductors are being investigated as a promising solid electrolyte for solid-state lithium batteries. To enable a functional all-solid-state configuration intensive investigations are needed to reduce the cathode/electrolyte interfacial resistance which contributes the most to cell performance loss. Among the commercial cathode materials investigated so far, LiCoO 2 (LCO) is one of the most stable with garnet electrolytes as only a superficial reaction has been detected between the two materials. However, even this minor reaction would block the Li-ion transport through the interface, resulting in deteriorated cell performance. In this work, we demonstrate that a thin aluminum oxide layer (5 nm) can be an effective interlayer to impede the formation of a harmful interphase and enable facile Li-ion transfer between LCO and the LLZO garnet. Room-temperature-sputtered LCO thin films were employed to form an interface with the garnet electrolyte and annealed at 800 °C to reveal the effect of the interfacial reaction on the Li-ion transfer across the interface. An aluminum oxide layer was then introduced between LCO and the garnet electrolyte by sputtering a metallic aluminum layer which is then annealed together with the upper LCO layer in oxygen, or by direct atomic layer deposition of the oxide. Compared to the LCO/LLZO/Li cells without an aluminum oxide interlayer, those with the interlayer exhibited improved performance, i.e., a stable discharge capacity of up to 90 mAh/(g LCO) at a C/10 rate, a rate capability up to 1.68C and a stable galvanostatic cycling at 0.1C for over 100 cycles with a discharge capacity fade rate of 0.15% per cycle. It was determined that aluminum diffused into the LCO layer after preventing the initial detrimental reaction between LCO and the LLZO garnet from happening during high temperature annealing, suggesting that the coating does not have to remain a physically blocking layer during cycling to function.

Electrochemistry↗
DOE OSTI2025

High-repetition rate, CEP-stable shortwave infrared source with two-cycle pulses for field-resolved spectroscopy

We report on a passively carrier-envelope phase (CEP)-stable optical parametric amplifier generating two-cycle pulses at 2060 nm with energies of up to 2.25 µJ operating at a repetition rate of 400 kHz, specifically designed for applications in field-resolved spectroscopy. The measured pulse duration is 13.6 fs, resulting in two cycles of the carrier wave. Due to the robust CEP-stable front-end design, we achieve an open-loop CEP stability of 250 mrad (rms) and the capability for fast CEP modulation.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Operando Acoustic Monitoring of SEI Formation and Long-Term Cycling in NMC/SiGr Composite Pouch Cells

Stable long-term cycling and solid-electrolyte-interphase (SEI) formation are key challenges in the design of Si/graphite composites as Li-ion battery (LIB) anode materials. Typically, these long-term cycling properties are examined in flooded half-cell settings making use of a Li-metal counter electrode and a Si/graphite working electrode. This form factor has the advantage of offering an unlimited supply of Li-ions and electrolyte, thus isolating performance degradation to the passivation of the working electrode. However, half-cell studies are ineffective in revealing performance and degradation mechanisms of the Si/graphite composite in a more commercially realistic full cell setting. This paper outlines an operando acoustic technique that can offer insights on SEI formation and capacity degradation of Si/graphite composites in a full cell setting. Through a combination of electrochemical and chemical analyses, we show that increasing passivation of the silicon particles in the Si/graphite composite anode is correlated with an increase in the acoustic time-of-flight shift. We further show that temporary loss of the acoustic signal during the first cycle is associated with significant gassing of the cell. The operando acoustic technique outlined here is low-cost, simple to setup and has the potential for localized resolution, indicating usefulness in commercial-scale Si/graphite cell quality control and diagnosis.

42 ENGINEERING↗
DOE OSTI2025

Porous and Amorphous Mn x Mo 3 S 13 Chalcogel Electrode for High-Capacity Conversion-Based Lithium-Ion Batteries

While Li-ion batteries (LIBs) are a leading energy storage technology, their energy densities are limited by the low capacity of conventional intercalation cathodes, driving interest in high energy-density Li–S batteries that make use of conversion chemistry. Achieving high capacity, reversibility, and cycle stability, and controlling volume changes in conversion batteries during the charge–discharge process, however, remains challenging. Here, in this study, we present a porous, amorphous, sulfide-based Mn x Mo 3 S 13 chalcogel, which concurrently offers high capacity and cycle stability. The solution-processable room temperature synthesized Mn x Mo 3 S 13 (x = 0.25) chalcogel exhibits a local structure that resembles the Mo 3 S 13 cluster with Mn 2+ distributed across the Mo 3 S 13 matrix, as determined by synchrotron X-ray pair distribution function (PDF) and extended X-ray absorption fine structure (EXAFS). Ab initio molecular dynamics (AIMD) simulations reveal that Mn 2+ incorporation shortens the polysulfide chain in the gel matrix compared to the Mo 3 S 13 chalcogel, while forming a coordination environment with disulfide groups, analogous to the experimental findings. A Li/Mn 0.25 Mo 3 S 13 half-cell delivers 897 mAh g –1 capacity during the first discharge and retains 571 mAh g –1 capacity after 100 cycles at a C/3 rate. Distribution of relaxation time (DRT) unveils a stable solid–electrolyte interphase (SEI) formation upon cycling that enables charge–discharge reversibility. Here, the enhanced capacity retention and cycle stability compared to those of the Li/Mo 3 S 13 cell are attributed to the reduced dissolution of active mass into the electrolyte, facilitated by the formation of shorter polysulfide chains within the Mn 0.25 Mo 3 S 13 structure and the strong affinity of Lewis-acidic Mn 2+ for polysulfide anions generated during the charge–discharge process of the Li/Mn 0.25 Mo 3 S 13 cell. Thus, this work illustrates a design principle of material for high-capacity and cycle-stable Li-metal sulfide batteries.

25 ENERGY STORAGE↗
DOE OSTI2025

Understanding the Role of Borohydride Doping in Electrochemical Stability of Argyrodite Li 6 PS 5 Cl Solid‐State Electrolyte

This work elucidates the mechanism by which lithium borohydride (LiBH 4 ) doping into argyrodite-type Li 6 PS 5 Cl (LBH-LPSCl) solid-state electrolyte (SSE) enhances electrochemical stability. State-of-the-art electrochemical performance is achieved with 5 wt% borohydride. Symmetric cells achieve critical current density (CCD) of 7.3 mA cm −2 , versus 2.6 mA cm −2 for baseline-LPSCl. All solid-state batteries (ASSBs) employing lithium metal and NMC811 cathode are stable over 400 cycles at 0.5C, with capacity retention of 83%. An anode-free ASSB (AF-ASSB) is stable over 600 cycles, with capacity loss of 0.04% per cycle. 5LBH-LPSCl allows for enhanced low temperature operation, down to −14 °C. Yet the difference in electrolytes’ bulk microstructures and hardnesses are minimal, while ionic conductivity is incrementally improved (≈50%). Theoretical modeling indicates limited effect of substitution on thermodynamic stability of PS 4 3- units, which decompose when contacting Li. Instead, enhanced electrochemical stability is site-specific kinetic effect: In situ electrodeposition experiments using X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary ion mass spectrometry (TOF-SIMS) reveal tri-layer SEI based predominately on Li 3 P/LiBH 4 /Li 2 S that blocks electrons while facilitating ion transport. This SEI manifests reduced interface resistance and accelerated nucleation and growth of metallic Li. With baseline-LPSCl the SEI based on Li 3 P/Li 2 S is substantially thicker, generating localized stresses that promote interfacial cracking while cycling.

argyrodite↗
DOE OSTI2025

Oxygen stable isotopes in the nuclear fuel cycle: Assessment of the potential for determining the fabrication and provenance history of anhydrous and hydrous uranium oxides

Determining the origin and history of interdicted nuclear materials is a central challenge in nuclear forensics. The oxygen stable isotope composition of uranium oxide compounds has emerged as a promising forensic signature, attracting increasing attention since the early 2000s. This review examines analytical techniques for measuring oxygen isotope compositions in uranium oxides and evaluates how the nuclear fuel production cycle introduces or modifies these isotopic signatures. The potential for forensic geolocation is explored through workflows that calibrate the relationship between environmental water oxygen isotopes and those found in uranium oxides. Key strengths and limitations of this approach are assessed, including gaps in knowledge related to isotope fractionation during specific stages of the fuel cycle, and processing facility water inputs. The importance of proper sample handling and storage under inert atmospheres, as well as a deeper understanding of both intra-sample oxygen isotope heterogeneity, and hydrous uranium oxide phase formation, is highlighted for improving the reliability of forensic interpretations. In conclusion, the development of uranium oxide standards with well-characterized δ 18 O values and international collaboration toward consensus on their use are identified as essential steps for advancing the field.

Attribution↗
DOE OSTI2021

Evaluation of Formate Salt PCM’s for Latent Heat Thermal Energy Storage

This work examines formate salts as potential phase change materials (PCMs) for middle-high temperature (≤250 °C) latent heat thermal energy storage applications. The thermophysical properties of three formate salts were characterized: pure sodium formate and binary blends of sodium/potassium formate and sodium/calcium formate. The stability of formate PCM’s was evaluated by thermal cycling using differential scanning calorimetry where sodium formate and sodium/potassium formate appeared stable over 600 cycles, while sodium/calcium formate exhibited a monotonic decrease in heat of fusion over the test period. A longer test with sodium formate led to gas release and decomposition of the salt. FTIR analysis of the PCM showed degradation of formate to oxalate. T-history experiments with 50-g PCM quantities demonstrated a bulk supercooling of only 2–3 °C for these salts. Thermal conductivity enhancement of over 700% was achieved by embedding aluminum in the solid PCM. Finally, mild carbon steel was immersed in molten sodium formate for up to 2000 h. Sodium formate was found to be non-corrosive, as calculated by mass loss and confirmed by cross-sectional high-resolution microscopy. FTIR analysis of the PCM after 2000 h shows oxidation at the free surface, while the bulk PCM remained unchanged, further indicating a need to protect the formate from atmospheric exposure when used as a PCM.phase change materials; formate salts; latent heat thermal energy storage; thermal cycling; supercooling; thermal conductivity enhancement; corrosion

25 ENERGY STORAGE↗