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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 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Microstructural and preliminary optical and microwave characterization of erbium-doped CaMoO 4 thin films

This work explores erbium-doped calcium molybdate (Er:CaMoO4) thin films grown on silicon and yttria stabilized zirconia (YSZ) substrates, as a potential solid state system for C-band (utilizing the ∼1.5 μm Er 3+ 4f–4f transition) quantum emitters for quantum network applications. Through molecular beam epitaxial growth experiments and electron microscopy, X-ray diffraction, and reflection electron diffraction studies, we identify an incorporation limited deposition regime that enables a 1:1 Ca:Mo ratio in the growing film leading to single phase CaMoO 4 formation that can be in situ doped with Er (typically 2–100 ppm). We further show that growth on silicon substrates is single phase but polycrystalline in morphology, while growth on YSZ substrates leads to high-quality epitaxial single crystalline CaMoO 4 films. We perform preliminary optical and microwave characterization on the suspected Y 1 –Z 1 transition of 2 ppm, 200 nm epitaxial Er:CaMoO 4 annealed thin films and extract an optical inhomogeneous linewidth of 9.1(1) GHz, an optical excited state lifetime of 6.7(2) ms, a spectral diffusion-limited homogeneous linewidth of 6.7(4) MHz, and an EPR linewidth of 1.10(2) GHz.

Masiulionis, Ignas [Univ. of Chicago, IL (United S↗
DOE OSTI2018

Error fields in the Wendelstein 7-X stellarator

The role of error fields in stellarators is explored in this work through simulations of, and experiments performed on, the Wendelstein 7-X (W7-X) stellarator. Previous experimental results, based on limiter plasmas in W7-X, suggest that error fields are small in the experiment based on limiter plasmas. In this work, we document results from the first divertor campaign on W7-X with a focus on error fields resonant with the edge island divertor structure. Measurements obtained using divertor thermocouples corroborate earlier limiter results that the error fields are small and correctable, requiring only 5% of the total rated current of the trim coil system. The effect of these error fields on magnetic geometry and topology are investigated using the flux surface measurement technique. The resulting divertor thermal load asymmetry is modeled via field line diffusion and compared to experimental data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Importance Sampling Model-Based Diffusion for Trajectory Optimization

Trajectory optimization for robotic systems remains a challenging problem. This is especially true for robotic systems featuring nonlinear dynamics and many degrees of freedom. Data-based or model-free diffusion has recently been popularized in the fields of artificial intelligence and trajectory optimization. Model-Based Diffusion provides a data-free method of trajectory optimization, trained at runtime on a system dynamics model, suitable for high-dimensional models. This paper examines how importance sampling can enhance the performance of Model-Based Diffusion for trajectory optimization. Here, we quantify the benefits of importance sampling across three long horizon planning tasks. These results show as much as a 13x improvement in sample efficiency depending on environment and optimization parameters.

Golembeski, Seth [Georgia Institute of Technology,↗
DOE OSTI2014

Characterization of tungsten films and their hydrogen permeability

Prediction of tritium migration and its retention within fusion reactors is uncertain due to a significant role of the structural disorder that is formed on the surface layer after plasma exposure. Tungsten films deposited by any of the suitable methods are always disordered and contain a high density of hydrogen traps. Experiments on such films with hydrogen isotopes present a suitable complementary method, which improves the picture of the hydrogen interaction with fusion relevant materials. The authors report on the morphology, composition, and structure of tungsten films deposited by the thermionic vacuum arc method on highly permeable Eurofer substrates. Subsequently, hydrogen permeation studies through these films were carried out in a wide pressure range from 20 to 1000 mbars at 400 °C. The final value of the permeation coefficient for four samples after 24 h at 400 °C was between P = 3.2 × 10{sup −14} mol H{sub 2}/(m s Pa{sup 0.5}) and P = 1.1 × 10{sup −15} mol H{sub 2}/(m s Pa{sup 0.5}). From the time evolution of the permeation flux, it was shown that diffusivity was responsible for the difference in the steady fluxes, as solubility was roughly the same. This is confirmed by XRD data taken on these samples.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Measurement of Temperature and Density Profiles of the Plasma at PR-2 Facility

A new system of probe diagnostics at linear plasma simulator PR-2 is described, allowing us to measure the profiles of plasma temperature and density in different cross sections of the plasma column. The Langmuir probe fixed to the movable part of the two-coordinate positioning system built into the PR-2 passes the region of the discharge area during the process of measuring plasma parameters. The overall dimensions of the positioning system make it possible to mount electrical probes (magnetic probes, optical fibers, and other diagnostic equipment) covering almost the entire volume of the vacuum chamber between the magnetic mirrors of the device. We present the measurement results of local plasma parameters of the beam-plasma discharge (BPD) for different values of the input power and working gas pressure. The boundaries of appearance of discharge of three types were determined: the diffusive BPD mode, the BPD mode, and the arc mode. Dependences of the plasma concentration and temperature on the input power for different values of pressure have been also determined.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Collisional dependence of Alfven mode saturation in tokamaks

Saturation of \alfven modes driven unstable by a distribution of high energy particles as a function of collisionality is investigated with a guiding center code, using numerical eigenfunctions produced by linear theory and numerical high energy particle distributions. The most important resonance is found and it is shown that when the resonance domain is bounded, not allowing particles to collisionlessly escape, the saturation amplitude is given by the balance of the resonance mixing time with the time for nearby particles to collisionally diffuse across the resonance width. Saturation amplitudes are in agreement with theoretical predictions as long as the mode amplitude is not so large that it produces stochastic loss from the resonance domain.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Experimental and Computational Studies of High Energy Density Plasma Streams Ablated from Fine Wires

This report summarizes progress during the final year of this project to study the physics of high energy density (HED) plasma streams of 10^17-10^20/cm3 density and high velocity (~100-500 km/s). Such streams are produced from 5-250 micrometer diameter wires heated and ionized by a 1 MA, 250 ns current pulse on the COBRA pulsed power facility at Cornell University. Plasma is ablated from the wires and is driven away to high velocity by unbalanced JxB force. A wire, or an array of wires, can persist as an essentially stationary, continuous source of this streaming plasma for >200 ns, even with driving magnetic fields of many Tesla and peak current densities in the plasma of many MA/cm2. At the heart of the ablation stream generation is the continuous transport of mass from the relatively cold, near-solid-density wire "core" into current-carrying plasma within 1 mm of the wire, followed by the magnetic acceleration of that plasma and its trapped flux to form a directed stream. In the first two years of this program, an advancing understanding of ablation physics led to the discovery of several novel wire ablation experimental regimes. In the final year, one of these new HED plasma regimes has been studied in quantitative detail. This regime studies highly reproducible magnetic reconnection in strongly radiating plasma with supersonic and superalfvenic flow, and shock structures in the outflow. The key discovery is that very heavy wires, e.g. 250 micrometer diameter Al or 150 micrometer Cu, behave in a qualitatively different way than the lighter wires typically used in wire-array Z-pinches. Such wires can be configured to produce a static magnetic X-point null geometry that stores magnetic and thermal energy; reconnection and outflow are triggered when the current begins to decrease and the electric field reverses. The reconnecting flow is driven by both magnetic and thermal pressure forces, and it has been found to be possible to vary the configuration so that one or the other dominates. The magnetic null extends into a current sheet that is heated and radiates strongly, with supersonic outflows. This is the first study of reconnection in this HED plasma regime. This compressible, radiative regime, and the triggering mechanism, may be relevant to solar and astrophysical processes. The PERSEUS extended MHD code has been developed for simulation of these phenomena, and will continue to be used and further developed to help interpret and understand experimental results, as well as to guide experimental design. The code is well-suited to simulations of shocks, and includes Hall and electron inertia physics that appear to be of importance in a number of ablation flow regimes, and definitely in the reconnection regime when gradient scales are comparable to the ion inertial scale. During the final year, our graduate student supported by this grant completed a new version of PERSEUS with the finite volume computational scheme replaced by a discontinuous Galerkin method that gives much less diffusive behavior and allows faster run time and higher spatial resolution. The code is now being used to study shock structures produced in the outflow region of the reconnection regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Unveiling the lithium-ion transport mechanism in Li{sub 2}ZrCl{sub 6} Solid-State Electrolyte {ital via} deep learning-accelerated molecular dynamics simulations.

Lithium zirconium chlorides (LZCs) present a promising class of cost-effective solid electrolytes for next-generation all-solid-state batteries. The unique crystal structure of LZCs plays a crucial role in facilitating lithium-ion mobility, which further affects the electrochemical performance. To understand the underlying mechanism governing ion transport, we employed deep learning-accelerated molecular dynamics simulation on Li2ZrCl6 (trigonal alpha- and monoclinic beta-LZC), focusing specifically on the zirconium coordination environment. Our results reveal that disordered alpha-LZC exhibits the highest ionic conductivity, while beta-LZC demonstrates significantly lower conductivity, closely aligning with experimental findings. The study confirms that across all phases, lithium migration proceeds via the site-to-site hopping mechanism, where variations in site residence times critically impact the overall ionic conductivity. In alpha-LZCs, lithium ions prefer to anisotropically diffuse across interlayers as the result of a lower energy barrier, driven primarily by collective diffusion. In contrast, lithium ions in beta-LZC primarily isotropically diffuse within the intralayer, hindered by higher energy barriers and determined by individual diffusion. The variation in ZrCl6 2- octahedral unit softening, induced by the specific layered arrangement of zirconium atoms, emerges as a critical determinant of the energy barriers across the LZC phases. These atomic-scale insights into the transport processes provide valuable guidance for the rational design and optimization of LZCs-based electrolytes, accelerating their practical application in advanced energy storage technologies.

Guo, Hanzeng↗
DOE OSTI2015

Insights into dynamic processes of cations in pyrochlores and other complex oxides

Complex oxides are critical components of many key technologies, from solid oxide fuel cells and superionics to inert matrix fuels and nuclear waste forms. In many cases, understanding mass transport is important for predicting performance and, thus, extensive effort has been devoted to understanding mass transport in these materials. However, most work has focused on the behavior of oxygen while cation transport has received relatively little attention, even though cation diffusion is responsible for many phenomena, including sintering, radiation damage evolution, and deformation processes. Here, we use accelerated molecular dynamics simulations to examine the kinetics of cation defects in one class of complex oxides, A₂B₂O₇ pyrochlore. In some pyrochlore chemistries, B cation defects are kinetically unstable, transforming to A cation defects and antisites at rates faster than they can diffuse. When this occurs, transport of B cations occurs through defect processes on the A sublattice. Further, these A cation defects, either interstitials or vacancies, can interact with antisite disorder, reordering the material locally, though this process is much more efficient for interstitials than vacancies. Whether this behavior occurs in a given pyrochlore depends on the A and B chemistry. Pyrochlores with a smaller ratio of cation radii exhibit this complex behavior, while those with larger ratios exhibit direct migration of B interstitials. Similar behavior has been reported in other complex oxides such as spinels and perovskites, suggesting that this coupling of transport between the A and B cation sublattices, while not universal, occurs in many complex oxide.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Electronic excitation as a mode of heat dissipation in laser-driven cluster plasmas

Electrons streaming out of laser plasma are known for non-local heat transport and energy deposition by the ionization wave. At 100 eV electron temperature, since the electronic excitation cross section is comparable to that of ionization for Ar and CO{sub 2}, a non-local excitation wave akin to the ionization wave is envisaged where energy deposition in excitations forms a excited cluster sheath beyond the laser focus. Here, we show that nano-cluster systems have the right parameters to form such an exciton sheath and experimentally demonstrate this via charge transfer reactions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Targets and methods for target preparation for radionuclide production

The invention relates to nuclear technology, and to irradiation targets and their preparation. One embodiment of the present invention includes a method for preparation of a target containing intermetallic composition of antimony Ti--Sb, Al--Sb, Cu--Sb, or Ni--Sb in order to produce radionuclides (e.g., tin-117 m) with a beam of accelerated particles. The intermetallic compounds of antimony can be welded by means of diffusion welding to a copper backing cooled during irradiation on the beam of accelerated particles. Another target can be encapsulated into a shell made of metallic niobium, stainless steel, nickel or titanium cooled outside by water during irradiation. Titanium shell can be plated outside by nickel to avoid interaction with the cooling water.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2025

Single-Crystallization of O3-Type Layered Oxide Cathode for Na-Ion Battery

The development of high-energy-density Na-ion batteries places significant demands on single-crystal layered oxide cathodes, especially for further high-voltage, solid-state battery scenarios. In the O3-type structure, due to the original sluggish Na ion diffusion kinetics (approximately 1 order of magnitude lower than that of Li-ion), and further hindrance against diffusion kinetics caused by single-crystal architecture, these inherent defects lead to the decline in the electrochemical performance. Herein, we demonstrated that the single crystallization of O3-type NaNi 1/3 Fe 1/3 Mn 1/3 O 2 cathode (d 50 = 5.04 μm) aggravates surface-to-bulk phase inhomogeneity distribution, which is attributed to the uneven Na ions extraction. Moreover, the Na-depletion of the surface/shell region not only aggravates Na ion diffusion resistance but also leads to a higher valence state of transition-metal elements (e.g., Ni/Fe) near the surface of the single-crystal particle, which further compromises the cathode-electrolyte interface stability. Furthermore, not limited to revealing the challenges, tuning the particle size and moderating quasi-single-crystal strategies have been proven to effectively mitigate the negative uneven distributions of Na ions, phases, and valence/oxidative states, resulting in efficient modification for single crystallization of Na-layered oxide cathodes.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Spectral induced polarization monitoring of induced calcite precipitation in subsurface sediments

Co-precipitation of contaminants within the crystalline structure of calcite is a promising natural attenuation or remedial technology being considered at contaminated sites. We explore the sensitivity of the spectral induced polarization (SIP) method to induced calcite precipitation in natural sediments as a path forward to non-invasively monitor these sites. We performed time-lapse column experiments using phased (I-IV) injections over 40 days on natural sediments from the Hanford Site (Washington State, USA). In the phased injections, abiotic calcite precipitation was induced and confirmed to have occurred. Previous work in glass beads and homogeneous sand was limited to high frequency detection of calcite, however in this work we observed the development of two polarization mechanisms, one at high frequency (>100 Hz) and one at low frequency (< 100 Hz). Based on the characteristic frequencies from the SIP high and low frequency regimes, characteristic length scales (L) were computed where the adsorption mode of Na+ versus Ca2+ was compared by using diffusion coefficients corresponding to Na+ versus an arithmetically averaged value for Na+ and Ca2+. Using the diffusion coefficient of Na+, the high frequency L was found to correlate well with the size of the calcite crystals. The low frequency L correlated well with the individual natural sediment grain sizes within the columns. During late experimental times (day 36 and 40), the characteristic low frequency in two of the experimental columns shifted to lower frequencies (<0.001 Hz) which may signify SIP sensitivity of the formed calcite with the sediment grains. In field applications, the development of a low frequency polarization length scale to monitor calcite precipitation is promising for field monitoring applications, however further laboratory work needs to be performed to examine the SIP sensitivity of calcite formation in the presence of to natural sediments

calcium carbonate, calcite, precipitation, spectra↗
DOE OSTI2024

Continuous polyamorphic transition in high-entropy metallic glass

Polyamorphic transition (PT) is a compelling and pivotal physical phenomenon in the field of glass and materials science. Understanding this transition is of scientific and technological significance, as it offers an important pathway for effectively tuning the structure and property of glasses. In contrast to the PT observed in conventional metallic glasses (MGs), which typically exhibit a pronounced first-order nature, herein we report a continuous PT (CPT) without first-order characteristics in high-entropy MGs (HEMGs) upon heating. This CPT behavior is featured by the continuous structural evolution at the atomic level and an increasing chemical concentration gradient with temperature, but no abrupt reduction in volume and energy. The continuous transformation is associated with the absence of local favorable structures and chemical heterogeneity caused by the high configurational entropy, which limits the distance and frequency of atomic diffusion. As a result of the CPT, numerous glass states can be generated, which provides an opportunity to understand the nature, atomic packing, formability, and properties of MGs. Moreover, this discovery highlights the implication of configurational entropy in exploring polyamorphic glasses with an identical composition but highly tunable structures and properties.

36 MATERIALS SCIENCE↗
DOE OSTI2022

CO 2 absorption intensification using three-dimensional printed dynamic polarity packing in a bench-scale integrated CO 2 capture system

Postcombustion carbon capture using a chemical absorbent is a promising technology to reduce CO 2 emission. However, the overall construction and operating costs remain a major challenge. In order to intensify the absorption process and to reduce these costs, a novel dynamic polarity structured packing (DP packing) with alternate patterns of surface polarity has been developed to enhance local macro-scale turbulence within the advanced viscous solvent to reduce the mass transfer diffusion resistance. Here, three DP structured packings that incorporate multiple polymeric materials were fabricated using three-dimensional printing technique and evaluated through parametric testing using a bench-scale integrated CO 2 capture unit with 76.2 mm ID absorber. At optimized operating conditions, the DP packing showed a relative 22.7% increase in absorption and 20.0% decrease in energy penalty.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Enhancement of nuclear reaction rates in asymmetric binary ionic mixtures

Here, using orbital-free molecular dynamics simulations we study the structure and dynamics of increasingly asymmetric mixtures such as hydrogen–carbon, hydrogen–aluminium, hydrogen–copper, and hydrogen–silver. We show that, whereas the heavy component structure is close to an effective one-component plasma (OCP), the light component appears more structured than the corresponding OCP. This effect is related to the crossover towards a Lorentz-type diffusion triggered by strongly coupled, highly charged heavy ions, and witnessed by the change of temperature scaling laws of diffusion. Finally, this over-correlation translates into an enhancement of nuclear reaction rates much higher than its classical OCP counterpart.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Identifying Suitable Front Contacts for High‐Efficiency Cd(Se,Te) Solar Cells on Space‐Qualified Cover Glass

Deployment of photovoltaics in space requires devices that combine high-efficiency, low areal mass, and resilience to harsh environments. Historically, high-efficiency multijunction III–V materials have dominated space power systems; however, their high cost and limited manufacturing throughput motivate the exploration of scalable alternatives. While CdTe-based thin-film photovoltaics offer an attractive option, their performance on non-conventional substrates can suffer from front contact instability under higher-temperature processing. Here, the role of front contact chemistry in limiting cell performance is investigated using CdTe-based devices fabricated on 150 μm thick Ceria-doped space-qualified 0214 Corning glass. A matrix of four transparent conducting oxides (TCOs: CTO, AZO, ITO, IZO) combined with two n-type emitters (MZO, IGO) reveals chemical stability at the front interface—rather than absorber composition alone—governs recombination losses, voltage deficits, and device reproducibility. Chemically stable front contact combinations suppress elemental diffusion and interfacial degradation, resulting in significantly improved carrier lifetimes and junction quality. These insights are validated through record-certified Cd(Se,Te) cell efficiencies of 18.4% under AM1.5G and 16.2% under AM0 illumination on ultra-thin glass. Beyond CdTe, this work provides a general framework for the rational selection of TCO/emitter interfaces in superstrate thin-film photovoltaics, including emerging technologies like metal halide perovskites, while enabling high-efficiency, lightweight photovoltaics for space applications.

14 SOLAR ENERGY↗