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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 739 records · Page 41

Modeling Pb(II) Adsorption on Mineral Surfaces: Bridging Density Functional Theory and Experiment with Thermodynamic Insights

Despite decades of work on aqueous lead (Pb) adsorption on a-Fe2O3 (hematite) and a-Al2O3 (alumina), gaps between measurements and modeling obscure molecular-level understanding. Achieving well-matched geometries between theory and experimental for mineral-water interfaces is a hurdle, as surface functional group type and distribution must be accounted for in determining mechanisms. Additionally, computational methods that can describe the substrate are often not appropriate to capture aqueous effects. Progress requires focusing on well-studied and relevant systems, such as key facets (001),(012), and (110) of hematite and alumina, and ubiquitous contaminants such as aqueous Pb. In the past, bulk-parametrized bond-valence principles were used to rationalize Pb(II) adsorption trends. These approaches can break down at surfaces, where flexible bonding environments and adsorption-induced surface relaxations play a critical role. Here, we adapt and apply a density functional theory (DFT) and thermodynamics framework, integrating DFT-calculated energies with experimental data and electrochemical principles, to predict Pb(II) adsorption. Our model results capture trends across the full set of surfaces and predict that inner-sphere Pb(II) sorption on (001) alumina varies from unfavorable to weakly favorable across a range of pH conditions. This aligns with experiment insights that Pb(II) interacts at that surface through outer-sphere interactions. Extending to Fe(II) adsorption, we demonstrate a coverage-dependent site preference, potentially explaining disorder in overlayers grown by the oxidative adsorption of Fe(II) on hematite (001).

lead contamination↗

Facile Synthesis of Rhodium‐Based Nanocrystals in a Metastable Phase and Evaluation of Their Thermal and Catalytic Properties

Abstract Controlling the polymorphism of metal nanocrystals is a promising strategy for enhancing properties and discovering new phenomena. However, previous studies on Rh nanocrystals have focused on their thermodynamically stable face‐centered‐cubic (fcc) phase. Herein, a facile synthesis of Rh‐based nanocrystals featuring the metastable hexagonal close‐packed (hcp) phase is reported by using Ru seeds in their native hcp phase to template the deposition of Rh atoms. The success of such phase‐controlled synthesis relies on the templating effect promoted by the small lattice mismatch between Ru and Rh and the slow dropwise titration of the precursor at an elevated temperature, ensuring the layer‐by‐layer growth mode and thus the formation of a conformal hcp‐Rh shell. Faster injection rate of Rh(III) precursor leads to the formation of a rough Rh shell in the conventional fcc phase due to accelerated reaction kinetics. Considering both thermodynamic and kinetic aspects of this system, the hcp‐Rh phase is favored when the low surface energy from smooth overlayers balances the high bulk energy of the metastable phase, achieved through tight control of reaction rates and deposition patterns. These Ru hcp @Rh hcp core–shell nanocrystals demonstrate thermal stability up to 400 °C, while exhibiting higher catalytic activity toward ethanol oxidation reaction compared to Ru hcp @Rh fcc counterparts.

Nguyen, Quynh N.↗

Use of friction stir processing to synthesize nanocrystalline, grain boundary segregating Fe-Ti alloys

Grain boundary segregating alloys, a class of alloys designed such that nanocrystalline grain sizes are thermodynamically stabilized by the presence of high segregation energy solutes at the grain boundaries, are typically produced through geometrically limited processing techniques such as equal channel angular extrusion or thin film sputtering. Here, this study explores the use of friction stir processing (FSP) as a novel means of studying and producing these alloys using a test system of Fe-6at%Ti. Spot FSPs with a range of processing parameter sets were produced on bulk, coarse grained bars of material and optimal parameters were identified. Microscopy identified a range of processed materials which achieved nanocrystalline grains on the order of 100 nm, delineating a critical window of processing parameters which limit heat input while inducing sufficient plastic deformation for grain refinement. The finest grained nanocrystalline Fe-Ti achieved a hardness of 7.68 GPa, a significant increase in hardness over pure Fe with a similar microstructure due to increased dislocation density from FSP as well as several strengthening mechanisms produced through the presence and segregation of Ti. These results demonstrated the feasibility of using FSP to produce nanocrystalline grain boundary segregating alloys.

Fe alloys↗

A review of fluids under nanoconfinement: Reactivity, geomechanics, phase transitions, and flow

Due to its many industrial applications, the physics associated with the nanoconfinement of fluids has garnered great attention from the scientific community in roughly the last fifteen years. One pioneer of that research has been the Multi-Scale Fluid-Solid Interactions in Architected and Natural Materials (MUSE) Energy Frontier Research Center, which produced more than 50 journal articles from 2018 to 2023. We structure the findings of MUSE into four categories and contextualize the work with the broader literature. Here, the four categories are (1) the dependence of chemical reactions on the degree of confinement, which given the lower freedom of motion of molecules yet improved availability of reaction sites generally lead to enhancement from bulk reactions; (2) the mechanical properties of the porous matrix, which are dependent on the heterogeneity of the system in terms of both composition and structure; (3) the phase transitions under nanoconfinement, which are influenced by the pore size and morphology, surface chemistry, and substrate composition; and (4) the physical controls of slip flow, which demonstrate the importance of several factors, such as wettability. These aspects of nanoconfinement are becoming clearer, but there are other elements such as mathematical theory that are still being developed.

58 GEOSCIENCES↗

Altermagnetic polar metallic phase in ultrathin epitaxially strained RuO 2 films

Altermagnetism refers to a wide class of magnetic orders featuring magnetic sublattices with opposite spins related by rotational symmetries, resulting in nontrivial spin splitting and magnetic multipoles. However, the direct observation of the altermagnetic transition remains elusive. Here, by combining theoretical analysis, electrical transport, X-ray, and optical spectroscopies, we establish a phase diagram in hybrid molecular beam epitaxy-grown RuO 2 /TiO 2 (110) films, mapping symmetries along with altermagnetic/electronic/structural phase transitions as functions of film thickness and temperature. This features an altermagnetic metallic polar phase in epitaxially strained 2 nm films, suggesting a potential link between polar metals and altermagnetic materials. Such a clear signature of a magnetic phase transition at ~500 K is observed exclusively in ultrathin strained films, unlike in bulk RuO 2 single crystals. These results highlight the power of epitaxial heterostructure engineering to induce altermagnetism in systems initially nonmagnetic, opening avenues for realizing emergent quantum phases with multifunctional properties.

RuO2 thin film↗

Infrared fixed point in the massless twelve-flavor SU(3) gauge-fermion system

We present strong numerical evidence for the existence of an infrared fixed point in the renormalization group flow of the SU(3) gauge-fermion system with twelve massless fermions in the fundamental representation. Our numerical simulations using nHYP-smeared staggered fermions with Pauli-Villars improvement do not exhibit any first-order bulk phase transition in the investigated parameter region. We utilize an infinite volume renormalization scheme based on the gradient flow transformation to determine the renormalization group β function. The gradient flow β function exhibits a zero at g GF ⋆ 2 = 6.60 ( 62 ) , implying that the system is infrared conformal. We calculate the leading irrelevant critical exponent γ g ⋆ = 0.199 ( 32 ) . Our prediction for γ g ⋆ is consistent with available literature at the 1 − 2 σ level. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

CHESS 2025: Orthorectified airborne RGB imagery from NEON AOP surveys

This dataset provides Level 1 (L1) and Level 3 (L3) orthorectified Red-Green-Blue (RGB) imagery collected for the 2025 Colorado Headwaters Ecological Spectroscopy Study (CHESS). This high-resolution imagery is a photographic record of red, green, and blue visible light from sunlight reflected off of the Earth’s surface. The data comprise full-color images of the ground surface and are primarily intended to provide context to imaging spectroscopy and light detection and ranging (LiDAR) data. The data were acquired over three study domains in the Upper Gunnison river basin: the upper East River watershed (CRBU); Almont Triangle and Taylor Canyon (ALMO); and Upper Taylor River watershed (UPTA) between 2025-06-13 and 2025-07-15. RGB images were acquired using the PhaseOne IXM-RS150F high-resolution digital camera onboard the National Ecological Observatory Network (NEON) Airborne Observation Platform (AOP). The package data include both an L1 product comprising one camera frame per file and an L3 mosaic aligned to the Universal Transverse Mercator (UTM) Zone 13N grid and the World Geodetic System (WGS) 84 projection. Both products are provided in geotif (.tif) format at 0.1 m ground resolution. The bulk of the imagery was collected during the main CHESS field campaign from June 13 to July 15, 2025. Additional images of a portion of the Upper Taylor (UPTA) domain were collected on September 18, 2025, to fill gaps in imagery identified after the main campaign was complete. RGB camera imagery is not radiometrically calibrated, and therefore pixel values should not be exploited for scientific analysis. Pixel values have undergone a manual adjustment to enhance feature identification. The imagery is rigorously geolocated which does allow for reliable geometric information to be retrieved. To generate the orthorectified imagery, the NEON AOP camera captured visible spectrum in red, green, and blue bands. The raw images were then processed using NEON’s camera orthorectification workflow. A boresight calibration flight was made to build a complete camera, distortion, and alignment model. Color balance/white balance and exposure correction were applied to the raw RGB images. The corrected images were orthorectified by ray-tracing image pixels to a lidar-derived digital surface model (DSM) mesh using the refined camera model, outputting orthorectified raster pixels on a regular grid. Flightline-level data were mosaicked by selecting per-pixel contributions from overlapping orthorectified images using line-of-sight (LOS) zenith angle minimization to reduce edge distortions. CHESS Project Description: The Colorado Headwaters Ecological Spectroscopy Study (CHESS) comprised a multi-week airborne remote sensing and field observation campaign in the Upper Gunnison Basin, Colorado, conducted in June and July of 2025. Airborne remote sensing was conducted by the National Ecological Observatory Network Airborne Observation Platform (NEON AOP), concurrent with a field campaign run by the Rocky Mountain Biological Laboratory (RMBL), the Lawrence Berkeley National Laboratory (LBNL) and SLAC National Accelerator Laboratory Watershed Function Science Focus Area (SFA), and NASA-JPL (Jet Propulsion Laboratory) Earth Surface Mineral Dust Source Investigation (EMIT) program. Between June 10 and July 18, 2025, the NEON AOP flight team collected high-resolution aerial imaging spectroscopy and Light Detection and Ranging (LiDAR) data over three domains: the Upper East River (CRBU), Almont Triangle (ALMO), and the Upper Taylor Basin (UPTA). In coordination with the flights, a field campaign acquired ground-truth observations, including observations of vegetation composition, foliar traits, forest demography, and subsurface properties in 18 core sampling areas within the domains. Additional surface water observations were taken at over 380 point locations. All CHESS campaign datasets can be found within the CHESS ESS-DIVE data portal: https://data.ess-dive.lbl.gov/portals/chess. Funding Acknowledgement: Field and remote-sensing data acquisition was performed under a grant from the National Aeronautics and Space Administration (80NSSC24K1005). This work was also supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231.

2018 NEON and 2025 CHESS Campaigns↗

Establishing Data Analysis Pipeline for Bulk ATAC-Seq Datasets

We developed an analysis pipeline for transposase-accessible chromatin sequencing (ATAC-Seq) data derived from bulk samples, which brings together publicly available R packages in addition to command-line tools designed for analysis of bulk ATAC-Seq data and can be run on any computer running a Linux-like operating system such as Ubuntu or Apple OSX.

97 MATHEMATICS AND COMPUTING↗

Transportation concepts for space industrialization

Space shuttle and heavy lift launch vehicle concepts are described with attention to transportation cost trends. Chemical (LOX/LH2), nuclear, and electric propulsion systems are considered. Suggested space shuttle projects include the support of manned geosynchronous missions and the transfer of bulk cargo and large-delicate space structures from fabrication/assembly orbits to their operational locations. It is thought that development of the space shuttle will stimulate interest in space industrialization.

Murphy, J. T.↗

The behavior of superfluid helium in zero gravity

Studies of the behavior of superfluid helium in zero gravity including fluid distribution within the cryostat, thickness of superfluid films, and heat transfer in such films, were conducted in one gravity in the laboratory and in zero-g flights on aircraft and sounding rocket. The studies show that the bulk motions are sufficiently well damped to allow control of their effects on experiments and spacecraft attitude control systems, and that the superfluid films will be able to maintain the high degree of temperature uniformity found in laboratory superfluid helium cryostats. The presentation includes film clips of the motions on the superfluid in zero-g.

Mason, P.↗

Experimental determination of the spinel-garnet boundary in a Martian mantle composition

The high pressure reaction orthopyroxene + clinopyroxene + spinel to garnet + olivine is applicable to the mantle of Mars. Experimental reversals of this reaction in the system CaO-MgO-FeO-Al2O3-SiO2 have been made in the range 1000-1200 C using the bulk composition proposed by Morgan and Anders (1980). At 1000 C, 1100 C, and 1200 C the garnet-out equilibrium is bracketed at 10.8 + or - 0.5, 12.6 + or - 0.5, and 15.2 + or - 0.5 kbars, respectively. A dP/dT slope of 14.0 bar/K at 1000 C increasing to 26.0 bar/K at 1200 C has been inferred. Depending on bulk composition, the mantle of Mars is inferred to have a phase assemblage of either olivine + clinopyroxene + orthopyroxene + garnet or olivine + clinopyroxene + garnet + spinel. In the second, the partial melts will not be buffered by olivine and orthopyroxene and will have markedly lower silica activities than those of the terrestrial mantle.

Patera, E. S.↗

Crystal growth of device quality GaAs in space

GaAs device technology has recently reached a new phase of rapid advancement, made possible by the improvement of the quality of GaAs bulk crystals. At the same time, the transition to the next generation of GaAs integrated circuits and optoelectronic systems for commercial and government applications hinges on new quantum steps in three interrelated areas: crystal growth, device processing and device-related properties and phenomena. Special emphasis is placed on the establishment of quantitative relationships among crystal growth parameters-material properties-electronic properties and device applications. The overall program combines studies of crystal growth on novel approaches to engineering of semiconductor material (i.e., GaAs and related compounds); investigation and correlation of materials properties and electronic characteristics on a macro- and microscale; and investigation of electronic properties and phenomena controlling device applications and device performance.

Gatos, H. C.↗

Analytical study of the liquid phase transient behavior of a high temperature heat pipe

The transient operation of the liquid phase of a high temperature heat pipe is studied. The study was conducted in support of advanced heat pipe applications that require reliable transport of high temperature drops and significant distances under a broad spectrum of operating conditions. The heat pipe configuration studied consists of a sealed cylindrical enclosure containing a capillary wick structure and sodium working fluid. The wick is an annular flow channel configuration formed between the enclosure interior wall and a concentric cylindrical tube of fine pore screen. The study approach is analytical through the solution of the governing equations. The energy equation is solved over the pipe wall and liquid region using the finite difference Peaceman-Rachford alternating direction implicit numerical method. The continuity and momentum equations are solved over the liquid region by the integral method. The energy equation and liquid dynamics equation are tightly coupled due to the phase change process at the liquid-vapor interface. A kinetic theory model is used to define the phase change process in terms of the temperature jump between the liquid-vapor surface and the bulk vapor. Extensive auxiliary relations, including sodium properties as functions of temperature, are used to close the analytical system. The solution procedure is implemented in a FORTRAN algorithm with some optimization features to take advantage of the IBM System/370 Model 3090 vectorization facility. The code was intended for coupling to a vapor phase algorithm so that the entire heat pipe problem could be solved. As a test of code capabilities, the vapor phase was approximated in a simple manner.

Roche, Gregory Lawrence↗

Isentropic mass exchange between the Tropics and extratropics in the stratosphere

The isentropic mass exchange between the Tropics and extratropics in the stratosphere is investigated with a semi-Lagrangian transport model for the periods from 1 June to 31 October 1992 and from 1 December 1992 to 30 April 1993 using winds from the U.K. Meteorological Office data assimilation system. Calculations with an idealized, initially zonally symmetric tracer show that in the middle and upper stratosphere the bulk of tropical air is transported into the midlatitudes of the winter hemisphere although there exist quasi-permeable barriers in the subtropics. The transport takes place in the form of planetary-scale 'tongues' of material that are drawn poleward in association with the episodic amplification of planetary-scale waves in high latitudes of the winter hemisphere. Once air of tropical origin is transported to the midlatitudes it is irreversibly mixed with the midlatitude air in the 'surf zone.' Air of tropical origin can, however, hardly penetrate into the interior of the winter polar vortex until the breakdown of the vortex. Transport of tropical air into the midlatitudes of the summer hemisphere is strongly inhibited. In the lower stratosphere, tropical air is transported into the northern and southern midlatitudes. During the period from 1 June to 31 October 1992, the amount of tropical air transported into the Northern Hemisphere is, however, much smaller than that transported into the Southern Hemisphere, and there exist strong gradients in the tracer field in the equatorial region, indicating that there is a quasi-permeable barrier to cross-equator mass exchange. During the period from 1 December 1992 to 30 April 1993, on the other hand, roughly the same amounts of tropical air are transported into the Southern Hemisphere, and there exist strong gradients in the tracer field in the equatorial region, indicating that there is a quasi-permeable barrier to cross-equator mass exchange. During the period from 1 December 1992 to 30 April 1993, on the other hand, roughly the same amounts of tropical air are transported into the northern midlatitudes and into the southern midlatitudes, and there exist no significant transport barriers in the equatorial area.

Chen, Ping↗

Boundary-layer transition detection with infrared imaging emphasizing cryogenic applications

This paper reviews the technique of boundary-layer transition detection using infrared (IR) imaging, emphasizing cryogenic wind-tunnel testing. With the exception of the low-temperature effects on the IR radiation, the discussion is relevant to conventional wind-tunnel and flight testing as well. At low temperatures, IR imaging encounters a reduction in the radiated energy throughout the IR spectrum, combined with a shift to longer wavelengths of the bulk of the radiation. This radiation behavior affects the minimum resolvable temperature difference (MRTD) of the IR imaging system because of its fixed wave band sensitivity. In the absence of commercial long wavelength IR imaging systems, operating at wavelengths longer than 13 micron, some measures can be taken to alleviate the problem caused by the MRTD limitation. The thermal signature of transition can be enhanced by allowing a small and controlled temperature increase of the wind-tunnel flow that induces a transient heat transfer to the model. This action temporarily reveals the model area under the turbulent regime through its higher heating rate compared with the laminar regime. The contrast between the areas exposed to the two regimes can be enhanced by subtraction of thermograms (the equilibrium thermogram from the transient thermogram). Further visual improvement can be obtained through shade stretching or binary shading.

Gartenberg, Ehud↗

Analysis of ProSEDS Test of Bare-Tether Collection

NASA's tether experiment ProSEDS will be placed in orbit on board a Delta-II rocket to test bare-tether electron collection, deorbiting of the rocket second stage, and the system dynamic stability. ProSEDS performance will vary because ambient conditions change along the orbit and tether-circuit bulk elements at the cathodic end follow the step-by-step sequence for the current cycles of operating modes (open-circuit, shunt and resistor modes for primary cycles; shunt and battery modes for secondary cycles). In this work we discuss expected ProSEDS values of the ratio L,/L*, which jointly with cathodic bulk elements determines bias and current tether profiles; L, is tether length, and L* (changing with tether temperature and ionospheric plasma density and magnetic field) is a characteristic length gauging ohmic versus baretether collection impedances. We discuss how to test bare-tether electron collection during primary cycles, using probe measurements of plasma density, measurements of cathodic current in resistor and shunt modes, and an estimate of tether temperature based on ProSEDS orbital position at the particular cycle concerned. We discuss how a temperature misestimate might occasionally affect the test of bare-tether collection, and how introducing the battery mode in some primary cycles, for an additional current measurement, could obviate the need of a temperature estimate. We also show how to test bare-tether collection by estimating orbit-decay rate from measurements of cathodic current for the shunt and battery modes of secondary cycles.

Sanmartin, J. R.↗

The Effect of Chemical Functionalization on Mechanical Properties of Nanotube/Polymer Composites

The effects of the chemical functionalization of a carbon nanotube embedded in a nanotube/polyethylene composite on the bulk elastic properties are presented. Constitutive equations are established for both functionalized and non-functionalized nanotube composites systems by using an equivalent-continuum modeling technique. The elastic properties of both composites systems are predicted for various nanotube lengths, volume fractions, and orientations. The results indicate that for the specific composite material considered in this study, most of the elastic stiffness constants of the functionalized composite are either less than or equal to those of the non-functionalized composite.

Odegard, G. M.↗