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At least 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Probing electrolyte–silica interactions through simulations of the infrared spectroscopy of nanoscale pores

The structural and dynamical properties of nanoconfined solutions can differ dramatically from those of the corresponding bulk systems. Understanding the changes induced by confinement is central to controlling the behavior of synthetic nanostructured materials and predicting the characteristics of biological and geochemical systems. A key outstanding issue is how the molecular-level behavior of nanoconfined electrolyte solutions is reflected in different experimental, particularly spectroscopic, measurements. This is addressed here through molecular dynamics simulations of the OH stretching infrared (IR) spectroscopy of NaCl, NaBr, and NaI solutions in isotopically dilute HOD/D 2 O confined in hydroxylated amorphous silica slit pores of width 1–6 nm and pH ~2. In addition, the water reorientation dynamics and spectral diffusion, accessible by pump–probe anisotropy and two-dimensional IR measurements, are investigated. In this work, the aim is to elucidate the effect of salt identity, confinement, and salt concentration on the vibrational spectra. It is found that the IR spectra of the electrolyte solutions are only modestly blue-shifted upon confinement in amorphous silica slit pores, with both the size of the shift and linewidth increasing with the halide size, but these effects are suppressed as the salt concentration is increased. This indicates the limitations of linear IR spectroscopy as a probe of confined water. However, the OH reorientational and spectral diffusion dynamics are significantly slowed by confinement even at the lowest concentrations. The retardation of the dynamics eases with increasing salt concentration and pore width, but it exhibits a more complex behavior as a function of halide.

Mesoporous material↗
DOE OSTI2022

Magnetic damping in ferromagnetic/heavy-metal systems: The role of interfaces and the relation to proximity-induced magnetism

Damping and spin transport in spintronic multilayered systems continues to be a topic of active research. The enhancement of damping in ferromagnet (FM)/spacer layer (SL)/heavy-metal (HM) thin-film systems was studied for Co 25 Fe 75 /SL/Pt with a nonmagnetic (NM) SL of either Au or Cu with variable thickness, in order to understand the correlation with proximity-induced magnetism (PIM) in the HM. Structural, PIM and magnetic damping measurements were undertaken on the same samples. Specifically, secondary ion mass spectroscopy, element specific x-ray magnetic reflectivity and x-ray magnetic circular dichroism at the Pt and Au L 3 edges, and ferromagnetic resonance methods were used. With increasing thickness of a Cu or Au SL directly between the FM and the Pt layer, the Pt PIM and the damping both fall rapidly, with a relationship between damping and PIM that depends on the SL material. The PIM observed in the Au layer showed a complex dependence on the layer thickness, suggesting some hybridization with the Pt. The role of the number and location of interfaces on the damping was demonstrated with the addition of a SL within the Pt layer, which showed that the specific details of the NM/HM interface also affects the damping. The insertion of a Cu SL within the Pt showed a measurable increase in the overall enhancement of the damping while the insertion of a Au SL into Pt had almost no effect on the damping. Finally, together these results demonstrate the role of both PIM and of additional interfaces in the enhancement of damping in FM/HM systems, which is not fully accounted for by existing theory

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1973

Dual-frequency bistatic-radar investigations of the moon with Apollos 14 and 15.

Simultaneous 13- and 116-cm wavelength radio transmissions from the Apollo 14 and 15 spacecraft were received on the earth after reflection from the lunar surface. The received data were processed to obtain complete polarization and power spectra of the echo signal; the ellipticity, orientation, and magnitude of the deterministically polarized part were obtained as a function of frequency. The polarized parts of the echo spectra were then reduced according to the theory of quasi-specular scattering from a gently undulating surface. The unpolarized portions of the echo spectra were associated with a diffuse scattering mechanism. Within Mare Serenitatis and Oceanus Procellarum, the 13-cm data follow a classical Fresnel reflection curve corresponding to relative dielectric constant epsilon = 3.1 plus or minus 0.1. Over most of these same areas, the 116-cm data are consistent with this value of relative dielectric constant. In some areas, however, notably between Reiner and Hevelius, there are marked deviations from the reflectivities predicted for epsilon = 3.1. These results cannot be explained on the basis of simple models employing contiguous, semiinfinite, dielectric interfaces.

Tyler, G. L.↗
NASA NTRS1984

Studies of directionally solidified eutectic Bi/MnBi at low growth velocities

The (lambda-squared)(V) deviation for diffusion-only rod eutectic growth, where lambda is the interrod spacing and V is the growth velocity, was studied at growth velocities less than 5 cm/h in directionally solidified eutectic Bi-Mn (Bi/MnBi). At lower growth velocities, (V less than 0.5 cm/h) morphological instability occurred which resulted in nonaligned, irregularly dispersed MnBi fibers. The (lambda-squared)(V) relation was experimentally determined over a range of growth velocities between 0.1 and 50 cm/h, thermal gradients in the liquid at the liquid-solid interface that varied from 40 to 120 C/cm and solidification orientation with respect to the direction of gravity. Naturally induced, convective instabilities are suggested as a possible growth velocity limit for cooperative growth in the Bi-Mn and related alloy systems.

Pirich, R. G.↗
NASA NTRS2005

Gradient Driven Fluctuations

We have worked with our collaborators at the University of Milan (Professor Marzio Giglio and his group-supported by ASI) to define the science required to measure gradient driven fluctuations in the microgravity environment. Such a study would provide an accurate test of the extent to which the theory of fluctuating hydrodynamics can be used to predict the properties of fluids maintained in a stressed, non-equilibrium state. As mentioned above, the results should also provide direct visual insight into the behavior of a variety of fluid systems containing gradients or interfaces, when placed in the microgravity environment. With support from the current grant, we have identified three key systems for detailed investigation. These three systems are: 1) A single-component fluid to be studied in the presence of a temperature gradient; 2) A mixture of two organic liquids to be studied both in the presence of a temperature gradient, which induces a steady-state concentration gradient, and with the temperature gradient removed, but while the concentration gradient is dying by means of diffusion; 3) Various pairs of liquids undergoing free diffusion, including a proteidbuffer solution and pairs of mixtures having different concentrations, to allow us to vary the differences in fluid properties in a controlled manner.

Cannell, David↗
DOE OSTI2026

Low-Pressure Diffusion Bonding of Vanadium to Commercially Pure Titanium and Ti-6Al-4V

Modern technology increasingly requires components to be made from specific high-performance materials. To support complex multi-metal structures, a variety of techniques are required to join dissimilar metal parts with precise shapes. This study evaluates vacuum diffusion bonding as a method for joining titanium and vanadium, focusing on both pure titanium and the common alloy Ti-6Al-4V. We employ modest pressure provided by a weight and simple surface preparation to simulate the most commercially applicable process. Here, we show that Ti-6Al-4V alloy bonds readily to V, forming a continuous, clearly defined interdiffusion layer with predictable kinetics. Conversely, commercially pure Ti forms a crack-prone bond with V that fails to improve at higher bonding temperatures or longer times. We attribute this failure to the concentration of stress caused by the ß-to-α phase transformation in Ti. The contrasting bonding efficacy between pure Ti and the alloy provides insight into the crystallographic interactions that occur at the interface during bonding and cooling. These results provide surprising insight into a new method for bonding Ti alloys to V and possibly other metals that share the body-centered cubic crystal structure.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Bi‐Continuous W‐Rich Refractory High Entropy Alloy‐Cu Composite: Toward Material Innovation of Nuclear Reactor Coolant System

Abstract Refractory high‐entropy alloys (RHEAs) are considered promising candidate materials for next‐generation nuclear reactors due to their superior mechanical strength, irradiation resistance, and thermal stability at high temperatures. However, the significant positive heat of mixing between refractory alloying elements and Cu, commonly used in cooling systems, poses challenges in forming composite structures. This study addresses the issue using a liquid metal dealloying (LMD) process. A precursor alloy (WTaVTi) with a directional dendrite‐interdendrite structure is fabricated and reacted with molten Cu at 1200 °C for 96 h. This approach produced a RHEA‐Cu composite with a stable interface between RHEA (W 31.5 Ta 30.9 V 21.4 Ti 14.3 ) and Cu, featuring a spontaneously formed W‐rich interlayer that enhances interfacial bonding. The composite showed excellent irradiation resistance, with 30% less swelling under α‐ion irradiation than pure W. It also exhibited low thermal conductivity at room temperature, but reached ≈120 W m −1 ·K −1 at ≈650 °C, surpassing pure W. This temperature‐dependent rise in κ, with a positive gradient of +0.075 W m −1 ·K − 2 , is attributed to decreasing diffuse mismatch at elevated temperatures. The large‐scale reaction and stable microstructure achieved through LMD process highlight its industrial potential. This work offers a strategy for developing high‐performance materials by combining RHEA's radiation resistance with Cu's thermal conductivity for extreme environments.

Chemistry↗
DOE OSTI2023

FeCrAl fuel/clad chemical interaction in light water reactor environments

This article investigates the fuel-cladding chemical interaction (FCCI) behavior of two commercial FeCrAl alloys, APMT composition (Fe-21Cr-5Al-3Mo wt.%) and C35M (Fe-13Cr-5Al-2Mo-0.2Si-0.03Y wt.%), after neutron irradiation. “H-cup” diffusion multiples of FeCrAl alloys and ceramic UO 2 fuel were irradiated at a temperature of ~300 °C to a total estimated burnup of 26 GWd/tHM. Post-irradiation Examination results demonstrate the excellent degradation resistance of FeCrAl alloys as accident tolerant fuel (ATF) cladding materials in light water reactor conditions. The study concludes that there was no irradiation-induced defects observed in either of the two commercial FeCrAl claddings. The formation of amorphous Al/U mixed oxide was observed at the fuel-clad interface, which can serve as a tritium permeation barrier and protect against potential chemical attack from the fuel. Finally, the study attributed the formation of amorphous Al/U mixed oxide to the low temperature and limited time of neutron irradiation. APMT forms more distinct Cr and Cr-Fe intermetallic at the FeCrAl-UO 2 interface than C35M due to the higher bulk Cr:Al ratio.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Dynamic and weak electric double layers in ultrathin nanopores

The unique properties of aqueous electrolytes in ultrathin nanopores have drawn a great deal of attention in a variety of applications, such as power generation, water desalination, and disease diagnosis. Inside the nanopore, at the interface, properties of ions differ from those predicted by the classical ionic layering models (e.g., Gouy–Chapman electric double layer) when the thickness of the nanopore approaches the size of a single atom (e.g., nanopores in a single-layer graphene membrane). Here, using extensive molecular dynamics simulations, the structure and dynamics of aqueous ions inside nanopores are studied for different thicknesses, diameters, and surface charge densities of carbon-based nanopores [ultrathin graphene and finite-thickness carbon nanotubes (CNTs)]. The ion concentration and diffusion coefficient in ultrathin nanopores show no indication of the formation of a Stern layer (an immobile counter-ionic layer) as the counter-ions and nanopore atoms are weakly correlated in time compared to the strong correlation observed in thick nanopores. The weak correlation observed in ultrathin nanopores is indicative of a weak adsorption of counter-ions onto the surface compared to that of thick pores. The vanishing counter-ion adsorption (ion–wall correlation) in ultrathin nanopores leads to several orders of magnitude shorter ionic residence times (picoseconds) compared to the residence times in thick CNTs (seconds). The results of this study will help better understand the structure and dynamics of aqueous ions in ultrathin nanopores.

2D materials↗
NASA NTRS1995

Properties of the +70 kilometers per second cloud toward HD 203664

I present high-resolution International Ultraviolet Explorer (IUE) spectra of the ultraviolet absorption in an intermediate-velocity interstellar cloud (nu(sub LSR) approximately equal to +70 km/s) toward HD 203664. The combined, multiple IUE images result in spectra with S/N = 15-40 and resolutions of approximately 20-25 km/s. The intermediate-velocity cloud absorption is present in ultraviolet lines of C II, C II(sup *), C IV, N I, O I, Mg I, Mg II, Al II, Al III, Si II, Si III, Si IV, S II, Cr II, Mn II, Fe II, and Zn II. The relative abundances of low-ionization species suggest an electron density of 0.15-0.34/cu cm and a temperature of 5300-6100 K in the neutral and weakly ionized gas. Given the presence of high-ionization gas tracers such as Si IV and C IV, ionized portions of the cloud probably contribute to the relatively large values of n(sub e) derived from measurements of the lower ionization species. The high-ionization species in the cloud have an abundance ratio, N(C IV)/N(Si IV) approximately equal to 4.5, similar to that inferred for collisionally ionized cloud interfaces at temperatures near 10(exp 5) K along other sight lines. When referenced to sulfur, the abundances of most elements in the cloud are within a factor of 5 of their solar values, which suggests that the +70 km/s gas has a previous origin in the Galactic disk despite a recent determination by Little et al. that the cloud lies at a distance of 200-1500 pc below the Galactic plane. I have checked this result against a model of the ionization for the diffuse ionized gas layer of the Galaxy and find that this conclusion is essentially unchanged as long as the ionization parameter is low as implied by the abundances of adjoining ionization states of aluminum and silicon. The processes responsible for the production of highly ionized gas in the +70 km/s cloud appear to be able to account for the inferred dust grain destruction as well.

Sembach, Kenneth R.↗
NASA NTRS2001

Thermal Processing Effects on the Adhesive Strength of PS304 High Temperature Solid Lubricant Coatings

In this paper the effects of post deposition heat treatments on the cohesive and adhesive strength properties of PS304, a plasma sprayed nickel-chrome based, high temperature solid lubricant coating deposited on stainless steel, are studied. Plasma spray deposited coating samples were exposed in air at temperatures from 432 to 650 C for up to 500 hr to promote residual stress relief, enhance particle to particle bonding and increase coating to substrate bond strength. Coating pull-off strength was measured using a commercial adhesion tester that utilizes 13 mm diameter aluminum pull studs attached to the coating surface with epoxy. Pull off force was automatically recorded and converted to coating pull off strength. As deposited coating samples were also tested as a baseline. The as-deposited (untreated) samples either delaminated at the coating-substrate interface or failed internally (cohesive failure) at about 17 MPa. Samples heat treated at temperatures above 540 C for 100 hr or at 600 C or above for more than 24 hr exhibited strengths above 31 MPa, nearly a two fold increase. Coating failure occurred inside the body of the coating (cohesive failure) for nearly all of the heat-treated samples and only occasionally at the coating substrate interface (adhesive failure). Metallographic analyses of heat-treated coatings indicate that the Nickel-Chromium binder in the PS304 appears to have segregated into two phases, a high nickel matrix phase and a high chromium precipitated phase. Analysis of the precipitates indicates the presence of silicon, a constituent of a flow enhancing additive in the commercial NiCr powder. The exact nature and structure of the precipitate phase is not known. This microstructural change is believed to be partially responsible for the coating strength increase. Diffusion bonding between particles may also be playing a role. Increasing the heat treatment temperature, exposure time or both accelerate the heat treatment process. Preliminary measurements indicate that the heat treatment also results in a one time, permanent coating thickness increase of about 3%. Based upon these results, the incorporation of a heat treatment prior to final finishing has been incorporated in the application process of this coating technology.

DellaCorte, Christopher↗
DOE OSTI2025

MoRE-Brain: Routed Mixture of Experts for Interpretable and Generalizable Cross-Subject fMRI Visual Decoding

Decoding visual experiences from fMRI offers a powerful avenue to understand human perception and develop advanced brain-computer interfaces. However, current progress often prioritizes maximizing reconstruction fidelity while overlooking interpretability, an essential aspect for deriving neuroscientific insight. To address this gap, we propose MoRE-Brain, a neuro-inspired framework designed for high-fidelity, adaptable, and interpretable visual reconstruction. MoRE-Brain uniquely employs a hierarchical Mixture-of-Experts architecture where distinct experts process fMRI signals from functionally related voxel groups, mimicking specialized brain networks. The experts are first trained to encode fMRI into the frozen CLIP space. A finetuned diffusion model then synthesizes images, guided by expert outputs through a novel dual-stage routing mechanism that dynamically weighs expert contributions across the diffusion process. MoRE-Brain offers three main advancements: First, it introduces a novel Mixture-of-Experts architecture grounded in brain network principles for neuro-decoding. Second, it achieves efficient cross-subject generalization by sharing core expert networks while adapting only subject-specific routers. Third, it provides enhanced mechanistic insight, as the explicit routing reveals precisely how different modeled brain regions shape the semantic and spatial attributes of the reconstructed image. Extensive experiments validate MoRE-Brain’s high reconstruction fidelity, with bottleneck analyses further demonstrating its effective utilization of fMRI signals, distinguishing genuine neural decoding from over-reliance on generative priors. Consequently, MoRE-Brain marks a substantial advance towards more generalizable and interpretable fMRI-based visual decoding.

Wei, Yuxiang [Georgia Institute of Technology]↗
DOE OSTI2020

Pulsed power accelerator surface Joule heating models

Understanding the effects of contaminant plasmas generated within the Z machine at Sandia is critical to understanding current loss mechanisms. The plasmas are generated at the accelerator electrode surfaces and include desorbed species found in the surface and substrate of the walls. These desorbed species can become ionized. The timing and location of contaminant species desorbed from the wall surface depend non-linearly on the local surface temperature. For accurate modeling, it is necessary to utilize wall heating models to estimate the amount and timing of material desorption. One of these heating mechanisms is Joule heating. In this paper, we propose several extended semi-analytic magnetic diffusion heating models for computing surface Joule heating and demonstrate their effects for several representative current histories. We quantitatively assess under what circumstances these extensions to classical formulas may provide a validatable improvement to the understanding of contaminant desorption timing.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

In Situ Neutron Reflectometry Reveals the Interfacial Microenvironment Driving Electrochemical Ammonia Synthesis

Electrified interfaces are critical to the performance of energy systems and often demonstrate substantial complexity under operating conditions. A nanoscale understanding of the interfacial microenvironment, i.e., the solid-electrolyte interphase (SEI), in lithium-mediated nitrogen reduction (Li–N 2 R) is key for realizing efficient ammonia (NH 3 ) production. Herein, we used time-resolved neutron reflectometry (NR) to observe SEI formation under Li–N 2 R conditions. We found that the LiBF 4 -based electrolyte provided a substantially more well-defined SEI layer than previous SEI NR interrogations that used LiClO 4 , highlighting the underlying chemistry that dictates electrolyte design and enabling new NR-based studies. Using in situ NR, we found that the LiBF 4 -derived SEI under Li–N 2 R conditions comprises a thick, diffuse outer layer and a thin, compact inner layer at low current cycling (<2 mA/cm 2 ), revealing a structure which ex situ studies have not been able to probe. Increased current cycling and sustained current cycling led to the merging of the layers into a single-layer SEI. Here, we used isotope contrast methods with d 6 -EtOH and d 8 -THF to drive time-resolved tracking of SEI growth at low current cycling, revealing that the proton donor modifies the inner layer, and the solvent modifies the outer layer. Li dendritic growth was observed in the absence of a proton donor. Neutron absorption also indicated the presence of boron in the SEI, underscoring the value of neutron-based interrogation. Our results inform Li-based systems and reaction microenvironments, and these methods can be applied broadly to interfacial energy technologies.

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

Anion Exchange of Ruddlesden–Popper Lead Halide Perovskites Produces Stable Lateral Heterostructures

Heterostructures of three-dimensional (3D) halide perovskites are unstable because of facile anion interdiffusion at halide interfaces. Two-dimensional (2D) Ruddlesden–Popper halide perovskites (RPPs) show suppressed and anisotropic ion diffu-sion that could enable stable RPP heterostructures, yet the direct and general growth of lateral RPP heterostructures remains challenging. Here we show that halide miscibility in RPPs decreases with perovskite layer thickness (n), enabling the for-mation of sharp halide lateral heterostructures from n = 1 and 2 RP lead iodide microplates via anion exchange with hydro-gen bromide vapor. In contrast, RPPs with n = 3 form more diffuse lateral heterojunctions, more similar to those in 3D perov-skites. The anion exchange behaviors are further modulated by the spacer and A-site cations in the RPP structures. These new insights, and kinetic studies of the exchange reactions, enable the preparation of lateral heterostructures from various n = 2 RPPs that are more stable against anion interdiffusion and degradation for potential device applications.

Roy, Chris R.↗
NASA NTRS1980

Radiation damage in high voltage silicon solar cells

High open circuit voltage cell designs based on 0.1 Ohm cm p-type silicon were irradiated with 1 MeV electrons and their performance determined to fluences as high as 10 to the 15th power per sq cm. Of the three cell designs, radiation induced degradation was greatest in the high low emitter (HLE) cell. The diffused and ion implanted cells degraded approximately equally but less than the HLE cell. Degradation was greatest in an HLE cell exposed to X-rays before electron irradiation. The cell regions controlling both short circuit current and open circuit voltage degradation were defined in all three cell types. An increase in front surface recombination velocity accompanied time dependent degradation of an HLE cell after X-irradiation. It was speculated that this was indirectly due to a decrease in positive charge at the silicon oxide interface. Modifications aimed at reducing radiation induced degradation are proposed for all three cell types.

Weinberg, I.↗
NASA NTRS1983

Advanced methods for preparation and characterization of infrared detector materials

Crystals were prepared by the Bridgman-Stockbarger method with a wide range of crystal growth rates and temperature gradients adequate to prevent constitutional supercooling under diffusion-limited, steady-state, growth conditions. The longitudinal compositional gradients for different growth conditions and alloy compositions were calculated and compared with experimental data to develop a quantitative model of solute redistribution during the crystal growth of the alloys. Measurements were performed to ascertain the effect of growth conditions on radial compositional gradients. The pseudobinary HgTe-CdTe constitutional phase diagram was determined by precision differential-thermal-analysis measurements and used to calculate the segregation coefficient of Cd as a function of x and interface temperature. Experiments were conducted to determine the ternary phase equilibria in selected regions of the Hg-Cd-Te constitutional phase diagram. Electron and hole mobilities as functions of temperature were analyzed to establish charge-carrier scattering probabilities. Computer algorithms specific to Hg(1-x)CdxTe were developed for calculations of the charge-carrier concentration, charge-carrier mobilities, Hall coefficient, and Dermi Fermi energy as functions of x, temperature, ionized donor and acceptor concentrations, and neutral defect concentrations.

Broerman, J. G.↗