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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Propylamine Functionalized Porous Fiber Sorbents with High Oxidation Stability for Direct Air Capture

Amine-based sorbents are highly effective for direct air capture (DAC) due to their excellent CO2 capture efficiency under ultra-dilute conditions. However, these sorbents can suffer degradation when exposed to combinations of heat, oxygen, and other atmospheric components, indicating a need for improved sorbent stability. In this study, we developed amidoxime functionalized polymer of intrinsic microporosity (PIM-1-AO) fibers with tethered amines, specifically tris(2-aminoethyl)amine (TAEA) and tris(3-aminopropyl)amine (TAPA), denoted as PIM-1-AO-TAEA and PIM-1-AO-TAPA, respectively. In addition, large scale sorbent fiber spinning has been successfully performed by producing meters of fibers in the lab. We demonstrated that substituting TAEA with TAPA, which has propyl chains instead of ethyl chains, reduces oxidative degradation under regeneration conditions. The findings revealed that PIM-1-AO-TAPA not only significantly outperforms PIM-1-AO-TAEA after accelerated aging process, but also outperforms any other sorbent used in DAC aged under similar conditions. Moreover, PIM-1-AO-TAPA sorbent fibers showed one of the highest amine efficiencies (0.25) considering the low amine loading (21%) coupled with robust CO2 uptake performance (1.12 mmol/g) under DAC conditions.

amine-based sorbent↗
DOE OSTI2025

Extreme Enhancement-Mode Operation Accumulation Channel Hydrogen-Terminated Diamond FETs with V th < -6 V and High on-Current

In this work, a new Field Effect Transistor device concept based on hydrogen-terminated diamond (H-diamond) is demonstrated that operates in an Accumulation Channel rather than a Transfer Doping regime. The FET devices demonstrate both extreme enhancement-mode operation and high on-current with improved channel charge mobility compared to Transfer-Doped equivalents. Electron-beam evaporated Al 2 O 3 is used on H-diamond to suppress the Transfer Doping mechanism and produce an extremely high ungated channel resistance. A high-quality H-diamond surface with an unpinned Fermi level is crucially achieved, allowing for the formation of a high-density hole accumulation layer by gating the entire device channel which is encapsulated in dual-stacks of Al 2 O 3 . Completed devices with gate/channel length of 1 µm demonstrate record threshold voltage < -6 V with on-current > 80 mA mm -1 . Carrier density and mobility figures extracted by CV analysis indicate a high 2D charge density of ≈ 2 × 10 12 cm -2 and increased hole mobility of 110 cm 2 V -1 s -1 in comparison with more traditional Transfer-Doped H-diamond FETs. These results demonstrate the most negative threshold voltage yet reported for H-diamond FETs and highlight a powerful new strategy to greatly improve carrier mobility and enable enhanced high power and high frequency diamond transistor performance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

SMEFT ATLAS: The landscape beyond the Standard Model

The Standard Model Effective Field Theory (SMEFT) based on the unbroken gauge group SU(3) 𝐶 ⊗SU(2) 𝐿 ⊗U(1) 𝑌 and containing only particles of the Standard Model (SM) has developed in the last decade to a mature field. It is the framework to be used in the energy gap from scales sufficiently higher than the electroweak scale up to the lowest energy scale at which new particles show up. We summarize the present status of this theory with a particular emphasize on its role in the indirect search for new physics (NP). While flavour physics of both quarks and leptons is the main topic of our review, we also discuss electric dipole moments, anomalous magnetic moments (𝑔−2) 𝜇,𝑒 , 𝑍-pole observables, Higgs observables and high-𝑝𝑇 scattering processes within the SMEFT. We group the observables into ten classes and list for each class the most relevant operators and the corresponding renormalization group equations (RGEs). We exhibit the correlations between different classes implied both by the operator mixing and the SU(2) 𝐿 gauge symmetry. Our main goal is to provide an insight into the complicated operator structure of this framework which hopefully will facilitate the identification of valid ultraviolet completions behind possible anomalies observed in future data. Numerous colourful charts, and 85 tables, while representing rather complicated RG evolution from the NP scale down to the electroweak scale, beautify the involved SMEFT landscape. Over 1000 references to the literature underline the importance and the popularity of this field. We discuss both top-down and bottom-up approaches as well as their interplay. This allows us eventually to present an atlas of different landscapes beyond the SM that includes heavy gauge bosons and scalars, vector-like quarks and leptons and leptoquarks.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Encapsulating High–Temperature Superconducting Twisted van der Waals Heterostructures Blocks Detrimental Effects of Disorder

High-temperature cuprate superconductors based van der Waals (vdW) heterostructures hold high technological promise. One of the obstacles hindering their progress is the detrimental effect of disorder on the properties of the vdW-devices-based Josephson junctions (JJs). Here, a new method of fabricating twisted vdW heterostructures made of Bi 2 Sr 2 CuCa 2 O 8+δ , crucially improving the JJ characteristics and pushing them up to those of the intrinsic JJs in bulk samples, is reported. The method combines cryogenic stacking using a solvent-free stencil mask technique and covering the interface by insulating hexagonal boron nitride crystals. Despite the high-vacuum condition down to 10 –6 mbar in the evaporation chamber, the interface appears to be protected from water molecules during the in situ metal deposition only when fully encapsulated. Comparing the current-voltage curves of encapsulated and unencapsulated interfaces, it is revealed that the encapsulated interfaces' characteristics are crucially improved, so that the corresponding JJs demonstrate high critical currents and sharpness of the superconducting transition comparable to those of the intrinsic JJs. Finally, it is shown that the encapsulated heterostructures are more stable over time.

2D materials↗
DOE OSTI2023

Charge transport in mixed metal halide perovskite semiconductors

Investigation of the inherent field-driven charge transport behaviour of three-dimensional lead halide perovskites has largely remained challenging, owing to undesirable ionic migration effects near room temperature and dipolar disorder instabilities prevalent specifically in methylammonium-and-lead-based high-performing three-dimensional perovskite compositions. Here, in this paper, we address both these challenges and demonstrate that field-effect transistors based on methylammonium-free, mixed metal (Pb/Sn) perovskite compositions do not suffer from ion migration effects as notably as their pure-Pb counterparts and reliably exhibit hysteresis-free p-type transport with a mobility reaching 5.4 cm 2 V –1 s -1 . The reduced ion migration is visualized through photoluminescence microscopy under bias and is manifested as an activated temperature dependence of the field-effect mobility with a low activation energy (~48 meV) consistent with the presence of the shallow defects present in these materials. An understanding of the long-range electronic charge transport in these inherently doped mixed metal halide perovskites will contribute immensely towards high-performance optoelectronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Impact of downhole pressure and fluid-access on the effectiveness of wellbore cement expansion additives

Autogenous shrinkage of wellbore cement widely impairs zonal isolation. MgO-based cement expansion additives (CEAs) can mitigate this shrinkage, or even impart net expansion, by creating porosity through displacive crystal growth-processes. However, both MgO hydration and autogenous shrinkage behaviour depend strongly on stress state. Evaluation of CEA performance in wellbore cements therefore requires testing under elevated pressures representative for subsurface environments. We report experiments addressing the chemical and bulk volume changes that occur in cement hydrating at 10 MPa confining pressure and 90 °C. Volumetric response was investigated as function of MgO concentration, external water supply, and pore pressure decrease through water consumption during reaction. Results show the bulk expansion achieved using MgO-based CEAs diminishes markedly with increasing effective confining pressure or, equivalently, upon restricting fluid supply. This reduced expansion-potential under pressure has profound implications for slurry design, notably regarding CEA-concentrations required to counteract micro-annulus formation while maintaining low cement permeability.

36 MATERIALS SCIENCE↗
DOE OSTI2026

The Role of Subcloud Mesoscale Convergence in Sculpting Convective Updraft Width and Depth

The initiation of deep moist convection is governed in part by the horizontal width of updrafts near cloud base, which limits the deleterious effects of entrainment-driven dilution on buoyant thermals ascending through the free troposphere. However, the factors controlling cloud-base updraft width, which in turn dictates cloud depth, are not well understood. We track the evolving three-dimensional structure of the mesoscale subcloud forcing for vertical motion and near-cloud thermodynamic ingredients within a high-resolution ensemble of simulations of seven realistic daytime orographic convection initiation events to determine their relative roles in controlling cloud width and depth. Statistical analysis of approximately 5000 cloudy updraft samples indicates that the most important contributors to the width of cloudy updrafts across the ensemble are the depth and magnitude of the subcloud mesoscale ascent. However, the depth achieved by clouds is more consistently predicted by the near-cloud ambient relative humidity within the lower to middle free troposphere and convective available potential energy. Therefore, although the width of cloudy updrafts may be partly set at low levels by the mesoscale vertical mass and moisture flux, the likelihood of deep moist convection is governed by the generation of positive buoyancy within cumulus thermals and entrainment-driven dilution that reduces it. The persistence of the low-level mesoscale vertical forcing locally consolidates and vertically transports boundary layer moisture, helping to reduce updraft dilution. However, these factors vary in relative impacts on cloudy updrafts across individual cases, indicating multiple pathways for deep convection initiation.

Convective storms↗
DOE OSTI2025

Predicting High‐Resolution Spatial and Spectral Features in Mass Spectrometry Imaging with Machine Learning and Multimodal Data Fusion

Recent advancements in molecular Mass Spectrometry Imaging have sparked interest in integrating high spatial resolution methods with molecular mass-spectrometry-based chemical imaging. Fusion-based algorithms have proven effective in generating high spatial-resolution molecular mass spectra. However, a significant challenge stems from the differing physical mechanisms underlying image generation and data upsampling techniques, potentially leading to discrepancies in integrated information channels. Integrating physical constraints into data processing workflows is essential to tackle this issue. In this study, we propose an innovative approach that merges data from Fourier transform ion cyclotron resonance (FTICR), time-of-flight matrix-assisted laser desorption/ionization, and time-of-flight secondary ion mass spectrometry imaging techniques. By leveraging FT-ICR's unparalleled spectral resolution and ToF-SIMS's exceptional spatial resolution, we achieve submicron spatial resolution, enabling the observation of intact molecular species with remarkable spectral precision. Canonical correlation analysis is employed to incorporate physical constraints. Through sophisticated image processing and machine learning techniques, the results of this fusion hold significant promise for advancing our comprehension of complex systems and unveiling concealed molecular intricacies.

canonical correlation analysis↗
DOE OSTI2024

Urban relatives ameliorate survival disparities for genitourinary cancer in rural patients

Patients living in rural areas have worse cancer-specific outcomes. This study examines the effect of family-based social capital on genitourinary cancer survival. We hypothesized that rural patients with urban relatives have improved survival relative to rural patients without urban family. We examined rural and urban based Utah individuals diagnosed with genitourinary cancers between 1968 and 2018. Familial networks were determined using the Utah Population Database. Patients and relatives were classified as rural or urban based on 2010 rural–urban commuting area codes. Overall survival was analyzed using Cox proportional hazards models. We identified 24,746 patients with genitourinary cancer with a median follow-up of 8.72 years. Rural cancer patients without an urban relative had the worst outcomes with cancer-specific survival hazard ratios (HRs) at 5 and 10 years of 1.33 (95% CI 1.10–1.62) and 1.46 (95% CI 1.24–1.73), respectively relative to urban patients. Rural patients with urban first-degree relatives had improved survival with 5- and 10-year survival HRs of 1.21 (95% CI 1.06–1.40) and 1.16 (95% CI 1.03–1.31), respectively. Our findings suggest rural patients who have been diagnosed with a genitourinary cancer have improved survival when having relatives in urban centers relative to rural patients without urban relatives. Further research is needed to better understand the mechanisms through which having an urban family member contributes to improved cancer outcomes for rural patients. Better characterization of this affect may help inform policies to reduce urban–rural cancer disparities.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Iterative sampling of expensive simulations for faster deep surrogate training

Deep neural network (DNN) surrogates of expensive physics simulations are enabling a rapid change in the way that common experimental design and analysis tasks are approached. Surrogate models allow simulations to be performed in parallel and separately from downstream tasks, thereby enabling analyses that would be impossible with the simulation in-the-loop; surrogates based on DNNs can effectively emulate diverse non-scalar data of the types collected in fusion and laboratory-astrophysics experiments. The challenge is in training the surrogate model, for which large ensembles of physics simulations must be run, preferably without wasting computational effort on uninteresting simulations. Here, in this paper, we present an iterative sampling scheme that can preferentially propose simulations in interesting regions of parameter space without neglecting unexplored regions, allowing high-quality and wide-ranging surrogate models to be trained using 2–3 times fewer simulations compare to space-filling designs. Our approach uses an explicit importance function defined on the simulation output space, balanced against a measure of simulation density which serves as a proxy for surrogate accuracy. It is easy to implement and can be tuned to find interesting simulations early in the study, allowing surrogates to be trained quickly and refined as new simulations become available; this represents an important step towards the routine generation of deep surrogate models quickly enough to be truly relevant to experimental work.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Interactions of two and three mesons including higher partial waves from lattice QCD

We study two- and three-meson systems composed either of pions or kaons at maximal isospin using Monte Carlo simulations of lattice QCD. Utilizing the stochastic LapH method, we are able to determine hundreds of two- and three-particle energy levels, in nine different momentum frames, with high precision. We fit these levels using the relativistic finite-volume formalism based on a generic effective field theory in order to determine the parameters of the two- and three-particle K-matrices. We find that the statistical precision of our spectra is sufficient to probe not only the dominant s-wave interactions, but also those in d waves. In particular, we determine for the first time a term in the three-particle K-matrix that contains two-particle d waves. We use three N f = 2 + 1 CLS ensembles with pion masses of 200, 280, and 340 MeV. This allows us to study the chiral dependence of the scattering observables, and compare to the expectations of chiral perturbation theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Characterization and microbial mitigation of fugitive methane emissions from oil and gas wells: Example from Indiana, USA

Hydrocarbon gas emissions from active, inactive, and improperly sealed or abandoned oil/gas wells significantly contribute to anthropogenically emitted greenhouse gases, predominantly in the form of methane (CH 4 ). We explored the extent of hydrocarbon gas emissions from 20 active, inactive, plugged and abandoned oil/gas wells in Indiana (USA), where it is estimated that there are more than 80,000 well sites throughout the state. After this initial survey, using a static flux tent, we quantified fugitive CH4 emissions from an active gas well to approximately 2 L h -1 . To evaluate the potential for microbial mitigation of hydrocarbon emissions to the atmosphere, we conducted laboratory microcosm experiments to quantify the CH 4 oxidizing potential of soils collected from sites with varying distances to the leaking gas well. Soils in close proximity to the well (0.5 m) efficiently consumed nearly all (97 %) of the added CH 4 , while only 14 % of added CH 4 was consumed by soils that were more distant from the well (20 m). These results suggest that fugitive CH 4 emissions enrich methanotrophic bacteria in soils immediately adjacent to the well. Consistent with this view, we found that prolonged exposure of soils to elevated concentrations of CH 4 enhanced the methanotrophic activity. Together, these findings prompted us to design a “methanotrophic soil mound” to assess the feasibility of mitigating point sources of CH 4 by harnessing the natural methanotrophic capacity of soil microbial communities. We found that a methanotrophic soil mound from a landfill could sustainably mitigate the CH 4 emission from the artificial source, providing a promising low-cost solution to ameliorate fugitive CH 4 emissions from abandoned oil and gas wells to the atmosphere. Finally, the effectiveness of microbe-based remediation is limited in cold climates and arid environments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

A review of radiation-induced damage to quantum dots

Quantum dots (QDs) are versatile nano structures that have applications in many fields of research and production, including biosensor technology, computing, photovoltaics, and optoelectronics. QDs have gained interest in the field of radiation detection because of their relative ease of production, tunable photoluminescence, and sensitivity to ionizing radiation. The photoluminescent properties of QDs diminish proportionally to prolonged ionizing radiation interactions, leading many groups to seek out these materials as potential candidates for the next generation of inexpensive, easily manufactured dosimetry and sensors. To use QDs in these applications, the mechanisms of radiation damage to the nanomaterial must be clearly understood and characterized. Herein, we review the study of ionizing radiation damage to QDs. First, the synthesis and properties of QDs are briefly discussed. Next, the radiation damage to QDs due to heavy charged particles, fast electrons, high energy photons, and neutrons are detailed. After this, experimental methods and modelling of QDs in radiation environments are examined. Lastly, future research directions are provided. The goal of this review is to aid in understanding the ionizing radiation effects on QD-based devices.

Snow, Jesse [University of Utah, Salt Lake City, U↗
DOE OSTI2022

CaMn 0.9 Ti 0.1 O 3 based redox catalysts for chemical looping – Oxidative dehydrogenation of ethane: Effects of Na 2 MoO 4 promoter and degree of reduction on the reaction kinetics

Reduction kinetics and stability of 20 wt% Na 2 MoO 4 -promoted CaMn 0.9 Ti 0.1 O 3 were investigated for its applications in Chemical Looping – Oxidative Dehydrogenation (CL-ODH) of ethane, a potential alternative for ethylene production with higher efficiency and lower emissions. Here, the present work reports a kinetics model and parameters for a Na 2 MoO 4 -promoted, Ti-doped CaMnO 3 (CaMn 0.9 Ti 0.1 O 3 ) redox catalyst under H 2 and C 2 H 4 . A first-order reaction model provides the best fit for the reduction of Na 2 MoO 4 /CaMn 0.9 Ti 0.1 O 3 under H 2 , while the C 2 H 4 reduction is well described by an Avrami–Erofe’ev model. The activation energy for C 2 H 4 oxidation is approximately three times higher than that for H 2 conversion, showing that the activation of C 2 H 4 is significantly more difficult on the surface of the redox catalyst. The reduction rate of Na 2 MoO 4 /CaMn 0.9 Ti 0.1 O 3 under H 2 at 750 °C is more than two orders of magnitude greater than that under C 2 H 4 , while the reduction rate of unpromoted CaMn 0.9 Ti 0.1 O 3 is comparable under H 2 and C 2 H 4 , showing that the addition of Na 2 MoO 4 effectively suppresses C 2 H 4 combustion relative to H 2 oxidation. The kinetics results for Na 2 MoO 4 /CaMn 0.9 Ti 0.1 O 3 confirm its excellent selectivity towards hydrogen combustion, making it a promising candidate under CL-ODH. Additionally, the stability of the CaMn 0.9 Ti 0.1 O 3 @ Na 2 MoO 4 core-shell structure, which was the underlying reason for the excellent selectivity, was examined under both shallow and deep reductions. It was determined that deep reduction of the redox catalyst, e.g. higher than 80% solid conversion, would lead to loss of sodium and hence to decreased selectivity for hydrogen combustion. In contrast, the core-shell structure was well-maintained, exhibiting excellent performance after 50 redox cycles when deep reduction of the redox catalyst was avoided. This study offers a basis for both the CL-ODH reactor design and redox catalyst optimizations.

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

Energy-efficient carbon capture from industrial point sources via commercially available green solvent and hollow fiber membrane contactors

Solvent-based absorption systems have emerged in the carbon capture space due to their high absorption capacities, reusability, and favorable energy requirements. Using diethyl sebacate as a solvent for pre- and post-combustion carbon capture has advantages over other solvents, including high hydrophobicity, low viscosity, low vapor pressure, high CO 2 solubility, high CO 2 selectivity, and being commercially available in large quantities. Despite these advantageous properties, the use of diethyl sebacate as a solvent for post-combustion carbon capture has not been studied in detail. To examine the capability of diethyl sebacate, a scalable, energy-efficient, hollow fiber membrane (microporous polypropylene and polyvinylidene fluoride) contactor (HFMC)-based process with low-cost and high surface area is investigated. A purity of 95.3 % CO 2 with 46 % recovery in one absorption stage was achieved, with a permeate flux over one magnitude greater than using a deep eutectic solvent in the same system. Technoeconomic analysis determined a ∼ 0.8 GJ per ton of CO 2 at a processing cost of ∼$93 per ton of CO 2 . Results from this work underscore the potential for utilizing green solvents in HFMC-based separation processes for effective carbon capture and provide a pathway towards practical deployment.

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

Dynamic genetic adaptation of Bacteroides thetaiotaomicron during murine gut colonization

To understand how a bacterium ultimately succeeds or fails in adapting to a new host, it is essential to assess the temporal dynamics of its fitness over the course of colonization. Here, we introduce a human-derived commensal organism, Bacteroides thetaiotaomicron (Bt), into the guts of germ-free mice to determine whether and how the genetic requirements for colonization shift over time. Combining a high-throughput functional genetics assay and transcriptomics, we find that gene usage changes drastically during the first days of colonization, shifting from high expression of amino acid biosynthesis genes to broad upregulation of diverse polysaccharide utilization loci. Within the first week, metabolism becomes centered around utilization of a predominant dietary oligosaccharide, and these changes are largely sustained through 6 weeks of colonization. Spontaneous mutations in wild-type Bt also evolve around this locus. These findings highlight the importance of considering temporal colonization dynamics in developing more effective micro biome-based therapies.

59 BASIC BIOLOGICAL SCIENCES↗