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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 1,729 records · Page 96
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Impact of static magnetic fields on the radial line slot antenna plasma source

The radial line slot antenna plasma source is used in semiconductor device fabrication. As is the case for all plasma sources, ever more strict uniformity control requirements are driven by the precision demands of new device technologies. Large volume diffusion plasmas, of which the radial line slot antenna source is one type, must overcome transport effects or diffusion modes that tend to 'center peak' the plasma density near the wafer being processed. One way to resolve problematic transport effects is the insertion of magnetic fields into the plasma region. In this paper, the impact of the magnetic field on plasma properties is parameterized as a function of slot configuration. The magnetic field orientation and the magnitude of magnetic field are varied in a computational study in which the source is modeled as a two-dimensional axisymmetric quasineutral plasma. This work employs a finite element model simulation. The magnitude of magnetic fields considered is 50 Gauss maximum with a microwave power of 3000 W at a pressure of 20 mTorr. 20 mTorr is chosen as this is a condition where diffusion effects are challenging to counteract. The study showed that there are specific conditions for slot configuration and magnetic field that improve the plasma controllability and some that do not. Plasma property modulation is most effective when the plasma source region is placed at large radius with axial magnetic fields. There are synergistic effects between the slot location and magnetic field that are important and placing large magnetic fields at the chamber edge alone does not result in improved uniformity. Electron cyclotron resonance (ECR) heating and the impact of pulsing the magnetic fields are presented. ECR heating is not important for the conditions relevant to this paper and pulsing is shown to have benefit.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Investigation of Coupled Processes in Fractures and the Bordering Matrix via a Micro‐Continuum Reactive Transport Model

Abstract In multi‐mineral fractured rocks, the altered porous layer on the fracture surface resulting from preferential dissolution of the fast‐reacting minerals can have profound impacts on subsequent chemical‐physical alteration of the fractures. This study adopts the micro‐continuum approach to provide further understanding of reactive transport processes in the altered layer (AL), and mass exchanges with the bordering matrix and fracture. The modeling framework couples the Darcy‐Brinkman‐Stokes (DBS) solver in COMSOL Multiphysics and the geochemical modeling capability of CrunchFlow. Three‐dimensional steady state simulations with systematically varied chemical‐physical parameters of the AL were performed to examine the impacts of individual factors and processes. Our simulation results confirm previous observations that dissolution of the fast‐reacting mineral (i.e., calcite) is largely controlled by diffusion across the AL. We also show that dissolution of the slow‐reacting mineral (i.e., dolomite), which controls AL development and fracture enlargement, increases with surface area and has a complex dependence on different local rate‐limiting processes. In particular, advection can result in evident spatial variations in the local dissolution rates of dolomite, although it does not affect the bulk chemistry significantly. The difference in the spatial patterns between simulations with and without advection in the AL is more noticeable in the locations with smaller apertures, with up to 20% difference in local reaction rates. Therefore, it is important to include a full depiction of advection, diffusion, and reactions for accurately capturing local dynamics that control long‐term fracture evolution.

58 GEOSCIENCES↗
DOE OSTI2017

Thermophysical Properties of Cold- and Vacuum Plasma-Sprayed Cu-Cr-X Alloys, NiAl and NiCrAlY Coatings I: Electrical and Thermal Conductivity, Thermal Diffusivity, and Total Hemispherical Emissivity

This two-part paper reports the thermophysical properties of several cold- and vacuum plasma-sprayed monolithic Cu- and Ni-based alloy coatings. Part I presents the electrical and thermal conductivity, thermal diffusivity, and total hemispherical emissivity data, while Part II reports the specific heat capacity data for these coatings. Metallic copper alloys and stoichiometric NiAl and NiCrAlY coatings were fabricated by either the cold spray or the vacuum plasma spray deposition processes for thermal property measurements between 77 and 1223 K. The temperature dependencies of the thermal conductivities, thermal diffusivities, electrical conductivities, and total hemispherical emissivities of these cold- and vacuum-sprayed monolithic coatings are reported in this paper. The electrical and thermal conductivity data correlate reasonably well for Cu-8%Cr-1%Al, Cu-23%Cr-5%Al, and NiAl in accordance with the Wiedemann–Franz (WF) law although a better fit is obtained using the Smith–Palmer relationship. The Lorentz numbers determined from the WF law are close to the theoretical value.

36 MATERIALS SCIENCE↗
DOE OSTI2017

The role of Frenkel defect diffusion in dynamic annealing in ion-irradiated Si

The formation of stable radiation damage in crystalline solids often proceeds via complex dynamic annealing processes, involving migration and interaction of ballistically-generated point defects. The dominant dynamic annealing processes, however, remain unknown even for crystalline Si. Here, we use a pulsed ion beam method to study defect dynamics in Si bombarded in the temperature range from -20 to 140 °C with 500 keV Ar ions. Results reveal a defect relaxation time constant of ~10–0.2 ms, which decreases monotonically with increasing temperature. The dynamic annealing rate shows an Arrhenius dependence with two well-defined activation energies of 73 ± 5 meV and 420 ± 10 meV, below and above 60 °C, respectively. Rate theory modeling, bench-marked against this data, suggests a crucial role of both vacancy and interstitial diffusion, with the dynamic annealing rate limited by the migration and interaction of vacancies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Combining Observational and Computational Uncertainty in Calibration Experiments

Traditional computer experiments using emulators have treat the emulator output as containing no error; however, this is not always feasible, as there exist computational codes which produce stochastic output, and future computations may require a balance between the time or resources to run the code and the accuracy of the output. This paper proposes a framework for incorporating both computational uncertainty and observational uncertainty into an analysis using a Gaussian process regression and calibration, and provides an example using simulated output from the one-dimensional diffusion equation. The particular values of observational and computation uncertainty which minimize a cost function are obtained.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

In situ investigation of explosive crystallization in a-Ge: Experimental determination of the interface response function using dynamic transmission electron microscopy

The crystallization of amorphous semiconductors is a strongly exothermic process. Once initiated the release of latent heat can be sufficient to drive a self-sustaining crystallization front through the material in a manner that has been described as explosive. Here, we perform a quantitative in situ study of explosive crystallization in amorphous germanium using dynamic transmission electron microscopy. Direct observations of the speed of the explosive crystallization front as it evolves along a laser-imprinted temperature gradient are used to experimentally determine the complete interface response function (i.e., the temperature-dependent front propagation speed) for this process, which reaches a peak of 16 m/s. Fitting to the Frenkel-Wilson kinetic law demonstrates that the diffusivity of the material locally/immediately in advance of the explosive crystallization front is inconsistent with those of a liquid phase. This result suggests a modification to the liquid-mediated mechanism commonly used to describe this process that replaces the phase change at the leading amorphous-liquid interface with a change in bonding character (from covalent to metallic) occurring in the hot amorphous material.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Hot Carrier and Surface Recombination Dynamics in Layered InSe Crystals

Layered indium selenide (InSe) is a van der Waals solid that has emerged as a promising material for high-performance ultrathin solar cells. The optoelectronic parameters that are critical to photoconversion efficiencies, such as hot carrier lifetime and surface recombination velocity, are however largely unexplored in InSe. Here, these key photophysical properties of layered InSe are measured with femtosecond transient reflection spectroscopy. The hot carrier cooling process is found to occur through phonon scattering. The surface recombination velocity and ambipolar diffusion coefficient are extracted from fits to the pump energy-dependent transient reflection kinetics using a free carrier diffusion model. The extracted surface recombination velocity is approximately an order of magnitude larger than that for methylammonium lead-iodide perovskites, suggesting that surface recombination is a principal source of photocarrier loss in InSe. The extracted ambipolar diffusion coefficient is consistent with previously reported values of InSe carrier mobility.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Constraining the Evolution of the Proton Distribution Function in the Heliotail

We use Interstellar Boundary Explorer (IBEX) measurements of energetic neutral atoms (ENAs) to constrain the proton (mostly pickup ion, PUI) distribution in the heliotail. In our previous study, we solved the Parker transport equation and found that the velocity diffusion coefficient $D(v)$ for PUIs is approximately $D(v)$ ~ 1.1 × 10 -8 km 2 s -3 ($v/v_0$) 1.3 , assuming the initial proton distribution processed by the termination shock (TS), $f_{p,0}$, is a kappa distribution with kappa index $ₖ_{p,0}$ = 1.63. In this study, we test different forms for $f_{p,0}$. We find that if $f_{p,0}$ is kappa-distributed and $D(v)$ = $D_0(v/v_0)^{1.3}$, any kappa index in the range 1.5 < $κ_{p,0}$ < 10 is consistent with IBEX data if $D_0 ~$ 0.8–1.3 × 10 -8 km 2 s -3 . While the case where $D(v)$ ∝ $v^{1.3}$ yields ENA fluxes that appear to best reproduce IBEX data for any $κ_{p,0}$, it is possible for $D(v)$ to scale close to $~v^{2/3}$ or $~v^2$ within our uncertainties by changing $D_0$. We also show that an upstream PUI filled-shell distribution that is heated by a quasi-stationary TS, generating a downstream filled-shell with large cutoff speed, yields an excess of ENAs > 2 keV compared to IBEX. However, using a fully kinetic particle-in-cell simulation to process a PUI filled-shell across the TS yields ENA spectra consistent with IBEX , reinforcing the significance of self-consistent, preferential PUI heating and diffusion at the TS. Interestingly, an upstream PUI distribution inferred from the particle-in-cell simulation to reproduce Voyager 2 observations of the nose-ward TS is inconsistent with IBEX observations from the heliotail, suggesting differences in the upstream PUI distribution or TS properties.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

A new method for operating a continuous-flow diffusion chamber to investigate immersion freezing: assessment and performance study

Abstract. Glaciation in mixed-phase clouds predominantly occurs through the immersion-freezing mode where ice-nucleating particles (INPs) immersed within supercooled droplets induce the nucleation of ice. Model representations of this process currently are a large source of uncertainty in simulating cloud radiative properties, so to constrain these estimates, continuous-flow diffusion chamber (CFDC)-style INP devices are commonly used to assess the immersion-freezing efficiencies of INPs. This study explored a new approach to operating such an ice chamber that provides maximum activation of particles without droplet breakthrough and correction factor ambiguity to obtain high-quality INP measurements in a manner that previously had not been demonstrated to be possible. The conditioning section of the chamber was maintained at −20 ∘C and water relative humidity (RHw) conditions of 113 % to maximize the droplet activation, and the droplets were supercooled with an independently temperature-controlled nucleation section at a steady cooling rate (0.5 ∘C min−1) to induce the freezing of droplets and evaporation of unfrozen droplets. The performance of the modified compact ice chamber (MCIC) was evaluated using four INP species: K-feldspar, illite-NX, Argentinian soil dust, and airborne soil dusts from an arable region that had shown ice nucleation over a wide span of supercooled temperatures. Dry-dispersed and size-selected K-feldspar particles were generated in the laboratory. Illite-NX and soil dust particles were sampled during the second phase of the Fifth International Ice Nucleation Workshop (FIN-02) campaign, and airborne soil dust particles were sampled from an ambient aerosol inlet. The measured ice nucleation efficiencies of model aerosols that had a surface active site density (ns) metric were higher but mostly agreed within 1 order of magnitude compared to results reported in the literature.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

The nature of photoinduced phase transition and metastable states in vanadium dioxide

Photoinduced threshold switching processes that lead to bistability and the formation of metastable phases in photoinduced phase transition of VO 2 are elucidated through ultrafast electron diffraction and diffusive scattering techniques with varying excitation wavelengths. We uncover two distinct regimes of the dynamical phase change: a nearly instantaneous crossover into an intermediate state and its decay led by lattice instabilities over 10 ps timescales. The structure of this intermediate state is identified to be monoclinic, but more akin to M 2 rather than M1 based on structure refinements. The extinction of all major monoclinic features within just a few picoseconds at the above-threshold-level (~20%) photoexcitations and the distinct dynamics in diffusive scattering that represents medium-range atomic fluctuations at two photon wavelengths strongly suggest a density-driven and nonthermal pathway for the initial process of the photoinduced phase transition. These results highlight the critical roles of electron correlations and lattice instabilities in driving and controlling phase transformations far from equilibrium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

On the Radio-emitting Particles of the Crab Nebula: Stochastic Acceleration Model

The broadband emission of pulsar wind nebulae (PWNe) is well described by non-thermal emissions from accelerated electrons and positrons. However, the standard shock acceleration model of PWNe does not account for the hard spectrum in radio wavelengths. The origin of the radio-emitting particles is also important to determine the pair production efficiency in the pulsar magnetosphere. Here, we propose a possible resolution for the particle energy distribution in PWNe; the radio-emitting particles are not accelerated at the pulsar wind termination shock but are stochastically accelerated by turbulence inside PWNe. We upgrade our past one-zone spectral evolution model to include the energy diffusion, i.e., the stochastic acceleration, and apply the model to the Crab Nebula. A fairly simple form of the energy diffusion coefficient is assumed for this demonstrative study. For a particle injection to the stochastic acceleration process, we consider the continuous injection from the supernova ejecta or the impulsive injection associated with supernova explosion. The observed broadband spectrum and the decay of the radio flux are reproduced by tuning the amount of the particle injected to the stochastic acceleration process. The acceleration timescale and the duration of the acceleration are required to be a few decades and a few hundred years, respectively. Our results imply that some unveiled mechanisms, such as back reaction to the turbulence, are required to make the energies of stochastically and shock-accelerated particles comparable.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

In-Situ Powder-Directed Energy Process Control for Additively Manufactured Multi-Layer, Functionally Graded Components

Coatings and cladding can experience damage in harsh environments: Erosion Oxidation Delamination External mechanical damage Radiation induced damage Functionally Graded Materials (FGMs) were primarily designed to reduce thermal stress in thermal barrier coatings (TBCs), but can produce coatings which resist a variety of material damage (corrosion, surface damage, diffusion) Powder-fed DED with multiple independent feeders allows for AM FGMs, and provides robust control over process parameters to optimize microstructure and performance. FGMs have a great opportunity for applications in energy applications as a strategy to increase plant efficiency and lifetime.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Mitigation and Diagnosis of Pin-Hole Formation in Polymer Electrolyte Membrane Fuel Cells

In this work, we implement a calendering technique to flatten stray fibers within the gas diffusion media, thereby mitigating pin-hole formation in the hot-pressed MEAs. We have investigated the influence of calendering on the long-term durability for several types of gas diffusion electrodes (GDEs) using a combined chemical and mechanical accelerated stress test (AST). The calendered MEAs demonstrate an average AST lifetime improvement of 77% relative to the as-fabricated MEAs.

AMR↗
DOE OSTI2016

Periodic surface structure bifurcation induced by ultrafast laser generated point defect diffusion in GaAs

The formation of high spatial frequency laser induced periodic surface structures (HSFL) with period <0.3 λ in GaAs after irradiation with femtosecond laser pulses in air is studied. We have identified a point defect generation mechanism that operates in a specific range of fluences in semiconductors between the band-gap closure and ultrafast-melt thresholds that produces vacancy/interstitial pairs. Stress relaxation, via diffusing defects, forms the 350–400 nm tall and ∼90 nm wide structures through a bifurcation process of lower spatial frequency surface structures. The resulting HSFL are predominately epitaxial single crystals and retain the original GaAs stoichiometry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Oak Ridge Cleanup Vision: Moving to the Future by Cleaning Up the Past - 13291

The Oak Ridge Office of Environmental Management (EM) strives to be the leader in the Department of Energy's (DOE's) EM Complex regarding successful and safe project execution and stakeholder interactions that yield positive results. EM's goal has been to become 'Investment Worthy' and, in order to accomplish that important objective, has also had to improve communications both within and outside of the Department. One of our most important missions is to assist the Department in achieving the sustainability goals set forth in Executive Order 13514. In this regard, EM's primary role is to return land to beneficial use and reduce energy impacts and maintenance costs by demolishing unneeded and deteriorating structures and remediating environmental contamination. Recent accomplishments toward meeting these goals include significant progress in the decontamination and demolition of the country's largest facility, the former K-25 Gaseous Diffusion Building, constructed in 1942 to enrich uranium to help end World War II; the disposition of the first phase of Uranium-233 material from the Oak Ridge National Laboratory (ORNL) which involved the transfer of Zero Power Reactor Plates to the National Nuclear Security Administration (NNSA); and a host of other project successes associated with transuranic (TRU) waste processing, hot cell decontamination and demolition, remediation of highly contaminated soils and burial grounds, and removal of mercury from storm sewers and surface waters. With regard to successful stakeholder interactions, recent accomplishments include a new method for collaboration that has renewed EM's working relationship with the regulators, and success in completing an extensive consultation process with over a dozen parties on the historic preservation of the former Oak Ridge Gaseous Diffusion Plant, which is now called the East Tennessee Technology Park (ETTP). Regarding improved communications, EM has successfully revised Program priorities and has received buy-in from the leadership in Headquarters, the regulators, and the community. Issues EM was facing in 2009 are presented. Resulting lessons learned and subsequent changes that the Office has gone through in the past several years in order to improve performance in the safe execution of work, relationships with external stakeholders, and communications both internally and externally are discussed. Results of these efforts are provided as a summary of Program accomplishments, including a strong focus on the future. EM's motto, Moving to the Future by Cleaning up the Past, will be demonstrated through the Program's mission, which includes protecting the region's health and environment; ensuring the continuation of ongoing vital missions being conducted by DOE on the Oak Ridge Reservation; and making clean land available for future use at all three sites, with a near-term focus on Re-industrialization of ETTP. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Electric-field noise from carbon-adatom diffusion on a Au(110) surface: First-principles calculations and experiments

The decoherence of trapped-ion quantum bits due to heating of their motional modes is a fundamental science and engineering problem. This heating is attributed to electric-field noise arising from processes on the trap-electrode surfaces. In this work, we address the source of this noise by focusing on the diffusion of carbon-containing adsorbates on the surface of Au(110). We show by detailed scanned probe microscopy and density functional theory how the carbon adatom diffusion on the gold surface changes the energy landscape, and how the adatom dipole moment varies with the diffusive motion. Lastly, a simple model for the diffusion noise, which varies quadratically with the variation of the dipole moment, qualitatively reproduces the measured noise spectrum, and the estimate of the noise spectral density is in accord with measured values.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

3D-printed electrode, gas diffusion electrode (GDE) and gas diffusion layer (GDL) for fuel cell applications

An electrocatalytically active ink composition is used with an additive manufacturing process, such as 3D printing, to produce electrodes having consistent, adaptable, and high surface area structures. The electrocatalytically active ink composition includes a mixed powdered precursor and a polymer matrix. The mixed powdered precursor includes a carbon source, a dopant source, and/or a metal-containing catalyst. The material and electrochemical properties of the ink composition may facilitate 3D printing of electrochemically active electrodes for energy conversion and storage devices, and may allow fine-tuning of macro- and microstructures to develop electrodes having improved activity and efficiency.

Lee, Kwan-Soo↗
DOE OSTI2025

Geospatial Diffusion for Land Cover Imperviousness Change Forecasting

Land-use and land-cover (LULC) has a significant effect on several Earth system processes. For example, impervious surfaces reduce infiltration and speed water flow, impacting regional hydrology and flood risk. While Earth System models have improved forecasting hydrologic and atmospheric processes at higher resolutions, the ability to forecast LULC change has lagged behind. In this paper, we propose a new paradigm exploiting Generative AI (GenAI) for land cover change forecasting by framing it as a data synthesis problem conditioned on historical and auxiliary data-sources. To demonstrate the feasibility of our methodology, we perform experiments where a diffusion model is trained for decadal forecasting of imperviousness change across the entire United States. We find that our model yields MAE lower than a no-change baseline for resolutions ≥ 0.7 X 0.7km2 on average, demonstrating its ability to capture and project accurate spatiotemporal patterns. Finally, we discuss future research to incorporate Earth's physical properties and enabling scenario simulations via driver variables.

Varshney, Debvrat [ORNL] (ORCID:0000000188981736)↗