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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Structural Characterization of Toxicologically Relevant Cd 2+ -L-Cysteine Complexes

The exposure of humans to Cd exerts adverse human health effects at low chronic exposure doses, but the underlying biomolecular mechanisms are incompletely understood. To gain insight into the toxicologically relevant chemistry of Cd 2+ in the bloodstream, we employed an anion-exchange HPLC coupled to a flame atomic absorption spectrometer (FAAS) using a mobile phase of 100 mM NaCl with 5 mM Tris-buffer (pH 7.4) to resemble protein-free blood plasma. The injection of Cd 2+ onto this HPLC-FAAS system was associated with the elution of a Cd peak that corresponded to [CdCl 3 ] - /[CdCl 4 ] 2- complexes. The addition of 0.1–10 mM L-cysteine (Cys) to the mobile phase significantly affected the retention behavior of Cd 2+ , which was rationalized by the on-column formation of mixed CdCysxCly complexes. From a toxicological point of view, the results obtained with 0.1 and 0.2 mM Cys were the most relevant because they resembled plasma concentrations. The corresponding Cd-containing (~30 μM) fractions were analyzed by X-ray absorption spectroscopy and revealed an increased sulfur coordination to Cd 2+ when the Cys concentration was increased from 0.1 to 0.2 mM. The putative formation of these toxicologically relevant Cd species in blood plasma was implicated in the Cd uptake into target organs and underscores the notion that a better understanding of the metabolism of Cd in the bloodstream is critical to causally link human exposure with organ-based toxicological effects.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1986

Banded ion morphology - Main and recovery storm phases

The occurrence of bands in ion spectra obtained with the high-altitude and low-altitude plasma instruments on DE-1 and DE-2, respectively, during main and recovery storm phases from the period September 1981 - January 1982 is analyzed statistically. Typical spectra are shown; diagrams and graphs of storm morphology are provided; and two theoretical models (one based on time-of-flight effects and another based on convective dispersion) are discussed. It is found that bands occur more often in the main phase than in the recovery phase, and more often and at higher latitudes in the evening than before noon. From the stability of the bands and the dependence of energy on latitude it is inferred that convective dispersion plays a more important role than time-of-flight effects in the motion of heavy ions in the magnetosphere.

Frahm, R. A.↗
NASA NTRS1982

The effects of transmitter/receiver clock time-base instability on coherent communication system performance

The purpose of this paper is to present a model and associated analysis of the deleterious effects which both transmitter and receiver data clock time-base instability have on bit-error probability. The types of time-base instability modeled and analyzed include what is commonly referred to as bit jitter (epoch jitter), bit-jitter rate (time interval jitter), and data asymmetry. The bit-error probability is determined as a function of the statistical characteristics of the time-base instability, the data-transition density, the signal-to-noise ratio in the bit-rate bandwidth and the mechanizations of both the data-bit detector and bit synchronizer. The latter is manifested through the bit synchronizer's natural frequency and loop-damping parameters. Numerical results which indicate the sensitivity of the system bit-error rate to various parameters of the model are provided.

Chie, C. M.↗
DOE OSTI2022

Hydrostatic pressure effect on the Co-based honeycomb magnet BaCo 2 (AsO 4 ) 2

Here the honeycomb antiferromagnet BaCo 2 (AsO 4 ) 2 , in which small in-plane magnetic fields (H1 ≈ 0.26T and H2 ≈ 0.52T at T = 1.8 K < T N ≈ 5.4K) induce two magnetic phase transitions, has attracted attention as a possible candidate material for the realization of Kitaev physics based on the 3d element Co 2+ . Here, we report on the change in the transition temperature T N and the critical fields H1 and H2 of BaCo 2 (AsO 4 ) 2 with hydrostatic pressure up to ~20 kbar, as determined from magnetization and specific heat measurements. Within this pressure range, a marginal increase in the magnetic ordering temperature is observed. At the same time, the critical fields are changed significantly (up to ~25 –35%). Specifically, we find that H1 is increased with hydrostatic pressure, i.e., the antiferromagnetic state is stabilized, whereas H2, which was previously associated with a transition into a proposed Kitaev spin-liquid state, decreases with increasing pressure. We discuss to what extent these results are compatible with suggested models with sizable third-nearest-neighbor exchange. Overall, the results put constraints on the magnetic models that are used to describe the low-temperature magnetic properties of BaCo 2 (AsO 4 ) 2 .

2-dimensional systems↗
DOE OSTI2023

Probing the Electronic and Opto-Electronic Properties of Multilayer MoS 2 Field-Effect Transistors at Low Temperatures

Transition metal dichalcogenides (TMDs)-based field-effect transistors (FETs) are being investigated vigorously for their promising applications in optoelectronics. Despite the high optical response reported in the literature, most of them are studied at room temperature. To extend the application of these materials in a photodetector, particularly at a low temperature, detailed understanding of the photo response behavior of these materials at low temperatures is crucial. Here we present a systematic investigation of temperature-dependent electronic and optoelectronic properties of few-layers MoS 2 FETs, synthesized using the mechanical exfoliation of bulk MoS 2 crystal, on the Si/SiO 2 substrate. Our MoS 2 FET show a room-temperature field-effect mobility μ FE ~40 cm 2 ·V -1 ·s -1 , which increases with decreasing temperature, stabilizing at 80 cm 2 ·V -1 ·s -1 below 100 K. The temperature-dependent (50 K < T < 300 K) photoconductivity measurements were investigated using a continuous laser source λ = 658 nm (E = 1.88 eV) over a broad range of effective illuminating laser intensity, P eff (0.02 μW < P eff < 0.6 μW). Photoconductivity measurements indicate a fractional power dependence of the steady-state photocurrent. The room-temperature photoresponsivity (R) obtained in these samples was found to be ~2 AW -1 , and it increases as a function of decreasing temperature, reaching a maximum at T = 75 K. The optoelectronic properties of MoS 2 at a low temperature give an insight into photocurrent generation mechanisms, which will help in altering/improving the performance of TMD-based devices for various applications.

2D materials↗
DOE OSTI2023

A Materials Perspective on Direct Recycling of Lithium-Ion Batteries: Principles, Challenges and Opportunities

As the dominant means of energy storage technology today, the widespread deployment of lithium-ion batteries (LIBs) would inevitably generate countless spent batteries at their end of life. From the perspectives of environmental protection and resource sustainability, recycling is a necessary strategy to manage end-of-life LIBs. Compared with traditional hydrometallurgical and pyrometallurgical recycling methods, the emerging direct recycling technology, rejuvenating spent electrode materials via a non-destructive way, has attracted rising attention due to its energy efficient processes along with increased economic return and reduced CO 2 footprint. This review investigates the state-of-the-art direct recycling technologies based on effective relithiation through solid-state, aqueous, eutectic solution and ionic liquid mediums and thoroughly discusses the underlying regeneration mechanism of each method regarding different battery chemistries. It is concluded that direct regeneration can be a more energy-efficient, cost-effective, and sustainable way to recycle spent LIBs compared with traditional approaches. Additionally, it is also identified that the direct recycling technology is still in its infancy with several fundamental and technological hurdles such as efficient separation, binder removal and electrolyte recovery. Finally, in addressing these remaining challenges, this review proposes an outlook on potential technical avenues to accelerate the development of direct recycling toward industrial applications.

25 ENERGY STORAGE↗
DOE OSTI2021

Heterometallic Actinide‐Containing Photoresponsive Metal‐Organic Frameworks: Dynamic and Static Tuning of Electronic Properties

Abstract Acquiring fundamental knowledge of properties of actinide‐based materials is a necessary step to create new possibilities for addressing the current challenges in the nuclear energy and nuclear waste sectors. In this report, we established a photophysics–electronics correlation for actinide‐containing metal‐organic frameworks (An‐MOFs) as a function of excitation wavelength, for the first time. A stepwise approach for dynamically modulating electronic properties was applied for the first time towards actinide‐based heterometallic MOFs through integration of photochromic linkers. Optical cycling, modeling of density of states near the Fermi edge, conductivity measurements, and photoisomerization kinetics were employed to shed light on the process of tailoring optoelectronic properties of An‐MOFs. Furthermore, the first photochromic MOF‐based field‐effect transistor, in which the field‐effect response could be changed through light exposure, was constructed. As a demonstration, the change in current upon light exposure was sufficient to operate a two‐LED fail‐safe indicator circuit.

Martin, Corey R.↗
DOE OSTI2022

Synthesis and Characterization of Pt‐Ag Icosahedral Nanocages with Enhanced Catalytic Activity toward Oxygen Reduction

Abstract There is an urgent need to develop cost‐effective electrocatalysts based on Pt for a broad spectrum of applications, including those vital to the operation of fuel cells. Hollowing out the interior of Pt nanocrystals offers a simple and viable strategy for maximizing the utilization efficiency of this precious metal while enhancing the electrocatalytic performance. Herein, we report the synthesis and electrocatalytic evaluation of Pt−Ag icosahedral nanocages with an average wall thickness of 1.6 nm. The Pt atoms are coated on the surface of Ag icosahedral seeds, leading to the formation of Ag@Pt nL core‐shell icosahedral nanocrystals with tunable shell thicknesses. The core‐shell nanocrystals are then converted to icosahedral nanocages by selectively etching away the Ag in the core. The as‐obtained nanocages with a composition of Pt 4.5 Ag exhibit an almost 3‐fold enhancement in specific activity toward oxygen reduction relative to the commercial Pt/C in acid media.

Wang, Wenxia↗
DOE OSTI2026

Reactive Transport Modeling with Physics-Informed Machine Learning for Critical Minerals Applications

This study presents a physics-informed neural network (PINN) framework for reactive transport modeling for simulating fast bimolecular reactions in porous media. Accurate characterization of cAhemical interactions and product formation in surface and subsurface environments is essential for advancing critical mineral extraction and related geoscience applications. The proposed methodology sequentially addresses the flow and diffusion–reaction subproblems. The flow field is computed using a mixed formulation, while the diffusion–reaction system is modeled via two uncoupled tensorial diffusion equations reformulated in terms of chemical invariants. PINNs are employed to solve the governing equations, enabling data-efficient, mesh-free prediction of chemical concentration fields. The framework is validated through a series of benchmark problems involving flow in heterogeneous porous media. Initial verification is conducted using patch tests for the flow field, followed by validation of the transport problem with emphasis on preserving non-negativity of concentrations. The complete fast bimolecular reaction scenario is then solved, yielding spatial distributions of reactants and product species. Results demonstrate that the PINNs-based approach effectively captures sharp, mixing-limited reaction fronts and dispersive mixing behavior, offering reliable predictions of reactive plume evolution. These capabilities are crucial for evaluating long-term subsurface behavior in applications such as fluid storage, energy extraction, and efficient extraction of critical minerals.

42 ENGINEERING↗
DOE OSTI2022

Tuning the fluid wetting dynamics on gold microstructures using photoactive compounds

This work demonstrates how photoactive compounds can be used to tune the surface chemistry, surface free energy, and the wetting velocity of fluids on Spiropyran functionalized surfaces with different surface microstructures. Evidence of this photowetting effect is based on data showing: (1) the cyclic changes in the static, advancing, and receding contact angles $\theta$ CA for multiple UV$\rightleftarrows$vis photoswitching cycles with both smooth and microstructured surfaces and (2) the changes in the fluid wicking velocity (via UV$\rightleftarrows$vis photoswitching) on different Spiropyran functionalized hemiwicking surfaces. X-ray photoelectron spectroscopy is used to determine the efficiency of photoswitching caused by the quality of the Spiropyran functionalization. Reversible photoisomerization of Spiropyran generates a gradient in surface free energy, resulting in a similar change in contact angle ($\theta$ CA ) in the photoswitchable surfaces. In conclusion, by incorporating these changes into the Owens-Wendt and Van Oss surface energy models, the energy of smooth Au surfaces can also be predicted for both UV and visible light irradiations, where reversible contact angle variations of $\Delta$$\theta$ CA ≈ 5–10° are achieved with both water and water-ethanol mixtures due to the conversion of SP to merocyanine, which corresponds to a total free energy change of ~13% on the photoswitchable surface.

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

Sustainable recovery of critical metals from spent lithium-ion batteries through gluconic acid-based bioleaching: Techno-economic analysis, life cycle assessment and process optimization

Recycling spent lithium-ion batteries (LIB) could potentially bridge the ever increasing supply and demand gap for critical metals and simultaneously facilitate the management of hazardous battery waste. This study investigated the optimization of gluconic acid-based bioleaching technology through design of experiments (DOE), combined with techno-economic analysis (TEA), and life cycle assessment (LCA) with the aim of maximizing the net present value (NPV) and minimizing global warming impacts of the process. Biolixiviant containing predominantly gluconic acid produced by the genetically engineered (ΔpstS, P 112 :mgdh) Gluconobacter oxydans B58 through fermentation using non-recyclable paper as a growth substrate was used for the LIB leaching. At optimal bioleaching conditions of gluconic acid (160 mM), leaching time (2.5 h), reducing agent FeSO 4 to metal, i.e., cobalt (Co), nickel (Ni) and manganese (Mn), mole ratio (0.88), temperature (55 °C) and pulp density (2.5 %), the leaching efficiency was 87 % 72 %, 94 %, and 88 % for Co, Ni, Mn and lithium (Li), respectively. TEA analysis confirmed that bioleaching plant with an annual black mass processing capacity of 10,000 metric tons and plant life of 30 years would be economically viable with an NPV and profit margin of $136 million and 11 %, respectively. The predicted carbon footprint of gluconic acid-based bioleaching for recovering 1 kg of Co (13.2 kg of CO 2 eq.) is lower compared to that of most state-of-the-art leaching technologies. Moreover, gluconic acid-based bioleaching effectively recovered target metals when tested for different black mass chemistries.

Bioleaching↗
DOE OSTI2021

Effects of polycarboxylate ether (PCE)-based superplasticizer on the dissolution and subsequent hydration of calcium oxide (CaO)

Calcium oxide (CaO) is an important construction material, used as expansive agent, alkaline activator, and repairing material for historical structures. In this study, the dissolution and subsequent hydration of CaO, with or without the polycarboxylate ether (PCE)-based superplasticizer, were investigated to elucidate the complex crystallization process of calcium hydroxide (Ca(OH){sub 2}). On contact with pure water, CaO particles began to hydrate within a few minutes, while releasing a significant amount of heat. Adding superplasticizer slowed such rapid heat evolution by forming a dormant period and significantly affected the crystallinity of the hydration product. The dormant period was controllable by the amount of added superplasticizer. Moreover, as a result of early nucleation of Ca(OH){sub 2}, the formation of 10–100-nm spherical nanoparticles was observed via an in-situ transmission electron microscope, which completely differed from the final crystal shape of the hydration product.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Walking on the dark side: Anthropogenic factors limit suitable habitat for gray wolf ( Canis lupus ) in a large natural area covering Belarus and Ukraine

Due to successful conservation initiatives and legislations, the grey wolf (Canis lupus) is recolonising its historic range in Europe. However, wolves have never been extirpated across large areas in Eastern Europe but are often constrained to remote and inaccessible places due to centuries of persecution. This study aimed to identify the potentially suitable wolf habitats in Polesia, a massive cross-border lowland region extending over southern Belarus and northern Ukraine, which are often neglected in large carnivore studies at the continental scale. We hypothesized that anthropogenic rather than environmental factors govern wolf habitat suitability. We used a dataset of 4191 GPS locations obtained from radio-collared wolves (n = 26) and confirmed observations (n = 231) during 2014–2021 and applied maximum entropy method to estimate relative habitat suitability for wolves in Polesia. Artificial light at night (ALAN), proportion of cropland and tree cover were the most important factors affecting wolf habitat suitability. Road densities contributed poorly to predicting habitat suitability for wolves. Our models predicted a quarter of Polesia as suitable habitat and revealed priority areas connecting the important source populations in the Chornobyl Exclusion Zone in the east and the Bialowieza Forest in the west and thus essential for long-term wolf conservation. Our results provide the bases for effective, long-term wolf monitoring and management programs in both Belarus and Ukraine. However, national and transboundary wolf management in Polesia has been extremely challenging since 2022 due to the ongoing war and subsequent habitat degradation in this part of Europe.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

A physically based mechanical model for Mullins effect in thermoplastic polyurethanes

Despite decades of research, connecting the chemical and physical structure of thermoplastic polyurethanes to their mechanical properties remains highly challenging. Of particular note are their large-deformation and rate-dependent behaviors, which vary greatly with molecular chemistry, including the type and relative content of soft and hard segments. In this work, we develop a physically motivated mechanical theory for predicting the behavior of thermoplastic polyurethanes. The theory incorporates a representation of microstructural evolution during mechanical deformation, which captures the signatures of stress softening over cyclic loading (commonly referred to as the Mullins effect). There are only eight physically motivated fitting parameters, including a direct dependence on the hard segment fraction. The model predicts that increasing the hard segment fraction leads to higher stiffness and greater energy dissipation, in quantitative agreement with published experimental data. Furthermore, we provide a comprehensive analysis of the model and validate its predictions across several independent datasets focused on mechanical characterization. Direct comparisons to experimental data demonstrate its predictive capability on the effect of loading rate, cyclic deformations, and applied tension or compression. Altogether, this work establishes a predictive framework that connects polymer chemistry and microstructure to emergent mechanical behaviors.

36 MATERIALS SCIENCE↗
DOE OSTI2026

The ePIC dual-radiator RICH detector

The dual radiator Ring Imaging Cherenkov (dRICH) detector is required to provide continuous hadron identification from ≈3 GeV/c up to ≈50 GeV/c, and to supplement electron and positron identification from a few hundred MeV/c up to about 15 GeV/c, in the forward (ion-side) end-cap of the ePIC experiment. Such an extended momentum range imposes the use of two radiators, gas and aerogel. The common imaging system, that ensures compactness and cost-effectiveness, is based on SiPM sensors to work in a high non-uniform magnetic field. During the R&D phase, the dual radiator principle and the single component performance have been validated. A status overview of the project is presented. The design and technological choices are discussed together with the results obtained from laboratory characterization of the component demonstrators and beam tests of the evolving prototypes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗