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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Sandwiching of MOF nanoparticles between graphene oxide nanosheets among ice grains

Current strategies to tailor the formation of nanoparticle clusters require specificity and directionality built into the surface functionalization of the nanoparticles by involved chemistries that can alter their properties. Here, we describe a non-disruptive approach to place nanomaterials of different shapes between nanosheets, i.e., nano-sandwiches, absent any pre-modification of the components. We demonstrate this with metal-organic frameworks (MOFs) and silicon oxide (SiO 2 ) nanoparticles sandwiched between graphene oxide (GO) nanosheets, MOF-GO and SiO 2 -GO, respectively. For the MOF-GO, the MOF shows significantly enhanced conductivity and retains its original crystallinity, even after one-year exposure to aqueous acid/base solutions, where the GO effectively encapsulates the MOF, shielding it from polar molecules and ions. The MOF-GOs are shown to effectively capture CO 2 from a high-humidity flue gas while fully maintaining their crystallinities and porosities. Similar behavior is found for other MOFs, including water-sensitive HKUST-1 and MOF-5, promoting the use of MOFs in practical applications. The nanoparticle sandwich strategy provides opportunities for materials science in the design of nanoparticle clusters consisting of different materials and shapes with predetermined spatial arrangements.

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

Measurements of aerosol microphysical and chemical properties in the central Arctic atmosphere during MOSAiC

The Arctic environment is transforming rapidly due to climate change. Aerosols’ abundance and physicochemical characteristics play a crucial, yet uncertain, role in these changes due to their influence on the surface energy budget through direct interaction with solar radiation and indirectly via cloud formation. Importantly, Arctic aerosol properties are also changing in response to climate change. Despite their importance, year-round measurements of their characteristics are sparse in the Arctic and often confined to lower latitudes at Arctic land-based stations and/or short high-latitude summertime campaigns. Here, we present unique aerosol microphysics and chemical composition datasets collected during the year-long Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition, in the central Arctic. These datasets, which include aerosol particle number concentrations, size distributions, cloud condensation nuclei concentrations, fluorescent aerosol concentrations and properties, and aerosol bulk chemical composition (black carbon, sulfate, nitrate, ammonium, chloride, and organics) will serve to improve our understanding of high-Arctic aerosol processes, with relevance towards improved modelling of the future Arctic (and global) climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Winter precipitation predictability in Central Southwest Asia and its representation in seasonal forecast systems

In Central Southwest Asia (CSWA; 22°N to 40°N and 30°E to 70°E), winter (November to February) precipitation contributes up to 70% of the annual mean, but substantial interannual variations exist. Dynamical models exhibit subpar predictability in this region, but the limits of their skills are not well established. Here, we identify the tropical and extratropical forcings that explain ~75% of area-averaged seasonal variability in CSWA winter precipitation. Tropical forcing comes from the indirect El Niño-Southern Oscillation (ENSO) pathway, the leading mode of tropical Indian Ocean precipitation variability. This mode is coupled with ENSO-related Pacific Ocean sea surface temperature variability. A direct ENSO influence on CSWA does not extend beyond its Indian Ocean connection. Extratropical forcing comes from a large-scale mode of internal atmospheric variability. The spatial structure, variability of tropical forcing, and teleconnection with CSWA winter precipitation are skillfully depicted in two seasonal forecasting systems: the fifth-generation seasonal forecasting system (SEAS5) and Seamless System for Prediction and Earth System Research (SPEAR). Extratropical forcing’s spatial structure is also produced skillfully in the two modelling systems; however, the representation of its interannual variability and teleconnection requires improvement. While SEAS5 displays skill in representing extratropical forcing influence on CSWA winter precipitation and marginal skill in reproducing interannual variability, SPEAR has negligible ability in both areas. Consequently, these models have limited predictive skills over CSWA in winter. While improvements in representing extratropical forcing may be inherently limited as it arises from internal atmospheric variability, further research is needed to establish its predictability limits fully.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Exploring the phase diagram of 3D artificial spin-ice

Artificial spin-ices consist of lithographic arrays of single-domain magnetic nanowires organised into frustrated lattices. These geometries are usually two-dimensional, allowing a direct exploration of physics associated with frustration, topology and emergence. Recently, three-dimensional geometries have been realised, in which transport of emergent monopoles can be directly visualised upon the surface. Here we carry out an exploration of the three-dimensional artificial spin-ice phase diagram, whereby dipoles are placed within a diamond-bond lattice geometry. We find a rich phase diagram, consisting of a double-charged monopole crystal, a single-charged monopole crystal and conventional spin-ice with pinch points associated with a Coulomb phase. In experimental demagnetised systems, broken symmetry forces formation of ferromagnetic stripes upon the surface, forbidding the lower energy double-charged monopole crystal. Instead, we observe crystallites of single magnetic charge, superimposed upon an ice background. The crystallites are found to form due to the distribution of magnetic charge around the 3D vertex, which locally favours monopole formation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Methanol to aromatics: isolated zinc phosphate groups on HZSM-5 zeolite enhance BTX selectivity and catalytic stability

HZSM-5 zeolite combined with unique zinc and phosphorus species, yields excellent selectivity (~85%) to BTX (benzene, toluene, xylenes) in aromatic products. It was found that both zinc and phosphorus species were highly distributed in the pores of the zeolite channel network to form isolated zinc phosphate groups, which directly bond to the surface of zeolite, leading to a strong Lewis acidic center and an optimized surface acidity distribution favorable for BTX formation and the hydrothermal stability of the catalyst.

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

A combinatorial droplet microfluidic device integrated with mass spectrometry for enzyme screening

Mass spectrometry (MS) enables detection of different chemical species with a very high specificity; however, it can be limited by its throughput. Integrating MS with microfluidics has a tremendous potential to improve throughput and accelerate biochemical research. In this work, we introduce Drop-NIMS, a combination of a passive droplet loading microfluidic device and a matrix-free MS laser desorption ionization technique called nanostructure-initiator mass spectrometry (NIMS). This platform combines different droplets at random to generate a combinatorial library of enzymatic reactions that are deposited directly on the NIMS surface without requiring additional sample handling. The enzyme reaction products are then detected with MS. Drop-NIMS was used to rapidly screen enzymatic reactions containing low (on the order of nL) volumes of glycoside reactants and glycoside hydrolase enzymes per reaction. MS “barcodes” (small compounds with unique masses) were added to the droplets to identify different combinations of substrates and enzymes created by the device. We assigned xylanase activities to several putative glycoside hydrolases, making them relevant to food and biofuel industrial applications. Overall, Drop-NIMS is simple to fabricate, assemble, and operate and it has potential to be used with many other small molecule metabolites.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Exploration of LIBS as a novel and rapid elemental mapping technique of nuclear fuels in the form of surrogate TRISO particles

Laser-induced breakdown spectroscopy (LIBS) was employed to characterize coatings on surrogate fuel particles. Tri-structural isotropic (TRISO) particles are a proposed nuclear fuel alternative for high temperature reactors. These particles are constructed of a ZrO 2 kernel (as a surrogate to uranium), surrounded by an inner pyrolytic carbon layer and are surrounded by an outer carbide layer (ZrC, presented here) to act as a barrier to fission products generated during nuclear reactions. These particles are embedded within a graphite compact and housed within the reactor core. Simply put, due to their robust nature, performing elemental analysis of these particles poses a challenge. Presented here, LIBS is explored as a method for characterizing elemental constituents of these particles, with the focus being on rapid elemental mapping and depth profiling. Different from traditional elemental analysis techniques (e.g., inductively coupled plasma – based methods), LIBS is advantageous because it can directly analyze the sample surface and can detect light elements such as C and O, making it a viable technique for the analysis of small, multilayered particles as spatial elemental information is warranted in the production of these particles. In the work presented here, LIBS was successfully used for discerning small layers (30–50 μm), detecting the location of carbon and oxygen layers, providing fast 2-D mapping (<5 min per particle) and rapid depth profiling (10 s per particle).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Selectivity in gas–liquid interactions: Molecular beam scattering of CD 4 and ND 3 from an aqueous flat liquid jet

The dynamics of polar and nonpolar molecules colliding with an aqueous surface are characterized by scattering molecular beams of deuterated methane and ammonia, CD 4 and ND 3 (E i = 28.9 and 30.3 kJ mol −1 , respectively), from a flat liquid jet of cold salty water (8 m LiBr, 230 K). Translational energy distributions of scattered species collected as a function of collision geometry probe both impulsive scattering (IS) and thermal desorption (TD) mechanisms. Here, we find that CD 4 scattering is dominated by IS and exhibits a super-specular angular distribution. The fraction of TD scattering events is notably smaller for cold salty water than for dodecane, consistent with a higher free energy of solvation for CD 4 in the water jet. In contrast, no scattering signal is seen for ND 3 from the water jet, a result attributed to the high solubility and efficient protonation of ND 3 in liquid water. The IS channel for CD 4 was analyzed using a soft-sphere model, yielding a higher internal energy (E int ) and lower effective surface mass (m eff ) than was seen for Ne/water; the higher value of E int is attributed to rotational excitation of the scattered CD 4 . These findings demonstrate that the outcomes of a gas–liquid collision—scattering trajectory, surface adherence, and energy transfer—are directed at the molecular level by both the gaseous scatterer and liquid surface.

Foreman, Madison M. [University of California, Ber↗
DOE OSTI2023

Evidence for current suppression in superconductor–superconductor bilayers

Superconducting radio frequency (SRF) cavities, which are critical components in many particle accelerators, need to be operated in the Meissner state to avoid strong dissipation from magnetic vortices. For a defect-free superconductor, the maximum attainable magnetic field for operation is set by the superheating field, B sh , which directly depends on the surface current. In heterostructures composed of different superconductors, the current in each layer depends not only on the properties of the individual material, but also on the electromagnetic response of the adjacent layers through boundary conditions at the interfaces. Three prototypical bilayers [Nb 1–x Ti x N (50 nm)/Nb, Nb 1–x Ti x N (80 nm)/Nb, and, Nb 1–x Ti x N (160 nm)/Nb] are investigated here by depth-resolved measurements of their Meissner screening profiles using low energy muon spin rotation (LE-µSR). From fits to a model based on London theory (with appropriate boundary and continuity conditions), a magnetic penetration depth for the thin Nb 1–x Ti x N layers of λ Nb 1–x Ti x N = 182.5(31) nm is found, in good agreement with literature values for the bulk alloy. Using the measured λ Nb 1–x Ti x N , the maximum vortex-free field, B max , of the superconductor-superconductor (SS) bilayer structure was estimated to be 610(40) mT. The strong suppression of the surface current in the Nb 1–x Ti x N layer suggests an optimal thickness of ~ 1.4λ Nb 1–x Ti x N = 261(14) nm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Anisotropic field-induced changes in the superconducting order parameter of UTe 2

UTe 2 is a newly discovered unconventional superconductor, where electron Cooper pairs combine into a spin-triplet ground state. We study the specific heat C( H,T ) of a high-quality UTe 2 single crystal, with a single anomaly at a high superconducting transition temperature T c = 2.1 K and a low residual Sommerfeld coefficient γ 0 . Applying magnetic fields up to 12 T along the crystallographic axes a, b , and c , we observe highly anisotropic behavior in γ 0 ( H ). Below 4 T, γ 0 ( H ) ≈ γ 0 + λi √H (i = a, b, c) , which is expected for an unconventional superconductor with nodes on the Fermi surface away from the direction of the magnetic field. At 4 T ( a and b axes) and 5.5 T ( c axis), distinctive changes in the behavior of γ 0 (H) suggest that a stable low-field ground state begins to evolve above 4 T. The data analysis indicates that the nodes are located near the a–b plane, with possible order parameters d B2u + iεd B1u or d B2u + iεd Au . Our findings support B 2u as the primary superconducting order parameter in UTe 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Orientational analysis of atomic pair correlations in nanocrystalline indium oxide thin films

The application of grazing-incidence total X-ray scattering (GITXS) for pair distribution function (PDF) analysis using >50 keV X-rays from synchrotron light sources has created new opportunities for structural characterization of supported thin films with high resolution. Compared with grazing-incidence wide-angle X-ray scattering, which is only useful for highly ordered materials, GITXS/PDFs expand such analysis to largely disordered or nanostructured materials by examining the atomic pair correlations dependent on the direction relative to the surface of the supporting substrate. A characterization of nanocrystalline In 2 O 3 -derived thin films is presented here with in-plane-isotropic and out-of-plane-anisotropic orientational ordering of the atomic structure, each synthesized using different techniques. The atomic orientations of such films are known to vary based on the synthetic conditions. Here, an azimuthal orientational analysis of these films using GITXS with a single incident angle is shown to resolve the markedly different orientations of the atomic structures with respect to the planar support and the different degrees of long-range order, and hence, the terminal surface chemistries. It is anticipated that orientational analysis of GITXS/PDF data will offer opportunities to extend structural analyses of thin films by providing a means to qualitatively determine the major atomic orientation within nanocrystalline and, eventually, non-crystalline films.

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

Surface Merging Technique to Design GA-Optimized Heat Sinks

High-power density inverters require efficient and small heat dissipation systems. For liquid cooling systems, an effective heat sink design is important to enable higher heat transfer and keep the pressure drop within reasonable limits. A heat sink geometry generated from an extruded, 1D fast Fourier transform can achieve more even temperature distribution and improved heat transfer than a conventional heat sink. Building on this concept, this paper proposes a new heat sink geometry creation algorithm. Instead of one plane profile being extruded, multiple plane profiles, each created from the fast Fourier transform method, are subsequently merged by smooth surfaces along the flow direction of the heat sink. Thus, a 3D heat sink geometry is created that enables 3D coolant flow and efficient heat transfer. The volume of this design was reduced by 50% compared with pin fin heat sinks. Compared with extruded 1D fast Fourier transform heat sinks, the proposed design showed an approximately 5% device temperature reduction and a 20% pressure drop reduction.

Barua, Himel↗
DOE OSTI2021

Towards replacing physical testing of granular materials with a Topology-based Model

In the study of packed granular materials, the performance of a sample (e.g., the detonation of a high-energy explosive) often correlates to measurements of a fluid flowing through it. The “effective surface area,” the surface area accessible to the airflow, is typically measured using a permeametry apparatus that relates the flow conductance to the permeable surface area via the Carman-Kozeny equation. This equation allows calculating the flow rate of a fluid flowing through the granules packed in the sample for a given pressure drop. However, Carman-Kozeny makes inherent assumptions about tunnel shapes and flow paths that may not accurately hold in situations where the particles possess a wide distribution in shapes, sizes, and aspect ratios, as is true with many powdered systems of technological and commercial interest. To address this challenge, we replicate these measurements virtually on micro-CT images of the powdered material, introducing a new Pore Network Model based on the skeleton of the Morse-Smale complex. Pores are identified as basins of the complex, their incidence encodes adjacency, and the conductivity of the capillary between them is computed from the cross-section at their interface. We build and solve a resistive network to compute an approximate laminar fluid flow through the pore structure. Here, we provide two means of estimating flow-permeable surface area: (i) by direct computation of conductivity, and (ii) by identifying dead-ends in the flow coupled with isosurface extraction and the application of the Carman-Kozeny equation, with the aim of establishing consistency over a range of particle shapes, sizes, porosity levels, and void distribution patterns.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Pseudo-atomic orbital behavior in graphene nanoribbons with four-membered rings

The incorporation of nonhexagonal rings into graphene nanoribbons (GNRs) is an effective strategy for engineering localized electronic states, bandgaps, and magnetic properties. Here, we demonstrate the successful synthesis of nanoribbons having four-membered ring (cyclobutadienoid) linkages by using an on-surface synthesis approach involving direct contact transfer of coronene-type precursors followed by thermally assisted [2 + 2] cycloaddition. The resulting coronene-cyclobutadienoid nanoribbons feature a narrow 600-meV bandgap and novel electronic frontier states that can be interpreted as linear chains of effective p x and p y pseudo-atomic orbitals. We show that these states give rise to exceptional physical properties, such as a rigid indirect energy gap. This provides a previously unexplored strategy for constructing narrow gap GNRs via modification of precursor molecules whose function is to modulate the coupling between adjacent four-membered ring states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Unraveling Li growth kinetics in solid electrolytes due to electron beam charging

Revealing the local structure of solid electrolytes (SEs) with electron microscopy is critical for the fundamental understanding of the performance of solid-state batteries (SSBs). However, the intrinsic structural information in the SSB can be misleading if the sample’s interactions with the electron beams are not fully understood. In this work, we systematically investigate the effect of electron beams on Al-doped lithium lanthanum zirconium oxide (LLZO) under different imaging conditions. Li metal is observed to grow directly on the clean surface of LLZO. The Li metal growth kinetics and the morphology obtained are found to be heavily influenced by the temperature, accelerating voltage, and electron beam intensity. We prove that the lithium growth is due to the LLZO delithiation activated by a positive charging effect under electron beam emission. Our results deepen the understanding of the electron beam impact on SEs and provide guidance for battery material characterization using electron microscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Environmental monitoring data from the 2022-2023 field experiment at Game Ridge, Missoula County, Montana, USA

This dataset contains sensor data from programmed loggers as well as handheld moisture probes, including weather data, air and soil temperature, and soil volumetric water content. Data files and data dictionary(ies) are uploaded as .csv files. The Users Guide is a .pdf file. Location data can be found in the Google Earth file GameRidge_SitePlotCoordinates.kmz.kml included here. These datasets were collected for Plant Carbohydrate Depletion, Mycorrhizal Networks, and Vulnerability to Drought: An Experimental Test in the Field. This experiment examined the interdependency between plant hydraulics and carbohydrate availability and sought to develop ways to incorporate interactions with below ground symbiotic organisms to better model and quantify forest response to drought. This environmental data was collected to provide context for the fungal community data and Pinus ponderosa physiological data.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Quality-Controlled Meteorological Data from the Flood Control District of Maricopa County (FCDMC) Network, Phoenix, Arizona (1987-2024)

This dataset contains 15- or 30-minute interval meteorological data from the Flood Control District of Maricopa County (FCDMC), Arizona, USA, covering eight key variables across multiple sensor stations between 1987 and 2024. Each variable is stored as a separate CSV file, containing time-series data that have undergone rigorous quality control (QC) procedures and, where appropriate, short-gap interpolation for consistency. The quality control (QC) pipeline consisted of four sequential tests: (1) a range test to ensure all values fall within physically realistic limits, (2) a step test to identify abrupt and implausible changes between consecutive records, (3) a proximity test that validates flagged values from step test using data from nearby stations and exceedance probability thresholds, and (4) a persistence test to detect and remove periods of unrealistically constant readings. These thresholds were calibrated to Arizona’s environmental conditions and sensor specifications. After QC, short gaps (≤2 hours) were linearly interpolated to ensure consistent temporal resolution, except for wind variables. Due to a major upgrade in FCDMC’s data transmission system, only ALERT-2 protocol data (2016–2024) for wind variables are included; earlier ALERT-1 data were excluded because of irregular sampling and high missing rates. This dataset supports regional climate and infrastructure resilience studies by providing standardized, high-resolution meteorological data for the greater Phoenix metropolitan area.

54 ENVIRONMENTAL SCIENCES↗