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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

On the merit of hot ion mode for tearing mode stabilization

The stabilization of tearing modes with rf driven current benefits from the cooperative feedback loop between rf power deposition and electron temperature within the island. This effect, termed rf current condensation, can greatly enhance and localize the current driven within magnetic islands. It has previously been shown that the condensation effect opens the possibility of passive stabilization with broad rf profiles, as would be typical of LHCD for steady state operation. Here, we show that this self-healing effect can be dramatically amplified by operation in a hot ion mode, due to the additional electron heat source provided by the hotter ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

One-body Langevin dynamics in heavy-ion collisions at intermediate energies

We present here a new framework to treat the dissipation and fluctuation dynamics associated with nucleon-nucleon scattering in heavy-ion collisions. The two-body collision processes are effectively described in terms of the diffusion of nucleons in viscous nuclear media, governed by a set of Langevin equations in momentum space. The new framework combined with the usual mean-field dynamics can be used to simulate heavy-ion collisions at intermediate energies. As a proof of principle, we simulate Au + Au reactions and obtain results consistent with other existing codes under the same constrained conditions. Furthermore, we study the formation of fragments in Sn + Sn reactions at 50 MeV/nucleon, and results are discussed and compared to two other models commonly employed for collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Emergent hydrodynamic mode on SU(2) plaquette chains and quantum simulation

We search for emergent hydrodynamic modes in real-time Hamiltonian dynamics of 2+1-dimensional SU(2) lattice gauge theory on a quasi-one-dimensional plaquette chain, by numerically computing symmetric correlation functions of energy densities on lattice sizes of about 20 with the local Hilbert space truncated at 𝑗 max = $\frac{1}{2}$. Because of the Umklapp processes, we only find a mode for energy diffusion. The symmetric correlator exhibits transport peak near zero frequency with a width approximately proportional to momentum squared at small momentum, when the system is fully quantum ergodic, as indicated by the eigenenergy level statistics. This transport peak leads to a power-law 𝑡 −$\frac{1}{2}$ decay of the symmetric correlator at late time, also known as the long-time tail, as well as diffusionlike spreading in position space. We also introduce a quantum algorithm for computing the symmetric correlator on a quantum computer and find it gives results consistent with exact diagonalization when tested on the IBM emulator. Finally we discuss the future prospect of searching for the sound modes.

Hamiltonian systems↗
DOE OSTI2019

Direct Cation Exchange in Monolayer MoS 2 via Recombination-Enhanced Migration

In addition to their unique optical and electronic properties, two-dimensional materials provide opportunities to directly observe atomic-scale defect dynamics. Here we use scanning transmission electron microscopy to observe substitutional Re impurities in monolayer MoS 2 undergo direct exchanges with neighboring Mo atoms in the lattice. Density-functional-theory calculations find that the energy barrier for direct exchange, a process that has only been studied as a diffusion mechanism in bulk materials, is too large for either thermal activation or energy directly transferred from the electron beam. The presence of multiple sulfur vacancies next to the exchanged Re-Mo pair, as observed by electron microscopy, does not lower the energy barrier sufficiently to account for the observed atomic exchange. Instead, the calculations find that a Re dopant and surrounding sulfur vacancies introduce an ever-changing set of deep levels in the energy gap. We propose that these levels mediate an “explosive” recombination-enhanced migration via multiple electron-hole recombination events. As a proof of concept, we also show that Re-Mo direct exchange can be triggered via controlled creation of sulfur vacancies. The present experimental and theoretical findings lay a fundamental framework towards manipulating single substitutional dopants in two-dimensional materials.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A scalable multi-process model of root nitrogen uptake

This article is a Commentary on McMurtrie & Näsholm et al., 218: 119–130. Roots are represented in Terrestrial Ecosystem Models (TEMs) in much less detail than their equivalent above-ground resource acquisition organs – leaves. Often roots in TEMs are simply resource sinks, and below-ground resource acquisition is commonly simulated without any relationship to root dynamics at all, though there are exceptions (e.g. Zaehle & Friend, 2010). The representation of roots as carbon (C) and nitrogen (N) sinks without complementary source functions can lead to strange sensitivities in a model. For example, reducing root lifespans in the Community Land Model (version 4.5) increases plant production as N cycles more rapidly through the ecosystem without loss of plant function (D. M. Ricciuto, unpublished). The primary reasons for the poorer representation of roots compared with leaves in TEMs are three-fold: (1) data are much harder won, especially in the field; (2) no simple mechanistic models of root function are available; and (3) scaling root function from an individual root to a root system lags behind methods of scaling leaf function to a canopy. Here in this issue of New Phytologist, McMurtrie & Näsholm (pp. 119–130) develop a relatively simple model for root N uptake that mechanistically accounts for processes of N supply (mineralization and transport by diffusion and mass flow) and N demand (root uptake and microbial immobilization).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Modeling Microwave-Enhanced Chemical Vapor Infiltration Process for Preventing Premature Pore Closure

The chemical vapor infiltration (CVI) process involves infiltrating a porous preform with reacting gases that undergo chemical transformation at high temperatures to deposit the ceramic phase within the pores, ultimately leading to a dense composite. The conventional CVI process in composite manufacturing needs to follow an isothermal approach to minimize temperature differences between the external and internal surfaces of the preform, ensuring that reactive gases infiltrate internal pores before external surfaces seal. Here, this study addresses the challenge of premature pore closure in CVI processes through microwave heating. A frequency-domain microwave solver is developed in OpenFOAM to investigate volumetric heating mechanisms within the preform. Through numerical studies, we demonstrate the capability of microwave heating of creating an inside-out temperature inversion. This inversion accelerates reactions proximal to the preform center, effectively mitigating the risk of premature external pore closure and ensuring uniform densification. The results reveal a significant enhancement in temperature inversion when high-permittivity reflectors are incorporated to generate resonant waves. This microwave heating strategy is then coupled with high-fidelity direct numerical simulation (DNS) of reacting flow, enabling the analysis of resulting densification processes. The DNS includes detailed chemistry and realistic diffusion coefficients. The numerical results can be used to estimate the impact of microwave-induced temperature inversion on densification in productions.

42 ENGINEERING↗
DOE OSTI2019

Vertical Profiles of Aerosol Composition over Beijing, China: Analysis of In Situ Aircraft Measurements

Aerosol samples were collected over Beijing, China, during several flights in November 2011. Aerosol composition of nonrefractory submicron particles (NR-PM 1 ) was measured by an Aerodyne compact time-of-flight aerosol mass spectrometer (C-ToF-AMS). This measurement on the aircraft provided vertical distribution of aerosol species over Beijing, including sulfate (SO 4 ), nitrate (NO 3 ), ammonium (NH4), chloride (Chl), and organic aerosols [OA; hydrocarbon-like OA (HOA) and oxygenated OA (OOA)]. The observations showed that aerosol compositions varied drastically with altitude, especially near the top of the planetary boundary layer (PBL). On average, organics (34%) and nitrate (32%) were dominant components in the PBL, followed by ammonium (15%), sulfate (14%), and chloride (4%); in the free troposphere (FT), sulfate (34%) and organics (28%) were dominant components, followed by ammonium (20%), nitrate (19%), and chloride (1%). The dominant OA species was primarily HOA in the PBL but changed to OOA in the FT. For sulfate, nitrate, and ammonium, the sulfate mass fraction increased from the PBL to the FT, nitrate mass fraction decreased, and ammonium remained relatively constant. Analysis of the sulfate-to-nitrate molar ratio further indicated that this ratio was usually less than one in the FT but larger than one in the PBL. Further analysis revealed that the vertical aerosol composition profiles were influenced by complex processes, including PBL structure, regional transportation, emission variation, and the aging process of aerosols and gaseous precursors during vertical diffusion.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Improving Solution Accuracy and Convergence for Stochastic Physics Parameterizations with Colored Noise

Stochastic parameterizations are used in numerical weather prediction and climate modeling to help capture the uncertainty in the simulations and improve their statistical properties. Convergence issues can arise when time integration methods originally developed for deterministic differential equations are applied naively to stochastic problems. In previous studies, it has been demonstrated that a correction term, known in stochastic analysis as the Itô correction, can help improve solution accuracy for various deterministic numerical schemes and ensure convergence to the physically relevant solution without substantial computational overhead. The usual formulation of the Itô correction is valid only when the stochasticity is represented by white noise. In this study, a generalized formulation of the Itô correction is derived for noises of any color. The formulation is applied to a test problem described by an advection–diffusion equation forced with a spectrum of fast processes. We present numerical results for cases with both constant and spatially varying advection velocities to show that, for the same time step sizes, the introduction of the generalized Itô correction helps to substantially reduce time integration error and significantly improve the convergence rate of the numerical solutions when the forcing term in the governing equation is rough (fast varying); alternatively, for the same target accuracy, the generalized Itô correction allows for the use of significantly longer time steps and, hence, helps to reduce the computational cost of the numerical simulation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Biochar-compost-based controlled-release nitrogen fertilizer intended for an active microbial community

Nitrogen (N) fertilizers in agriculture suffer losses by volatilization of N to the air, surface runoff and leaching into the soil, resulting in low N use efficiency (NUE) (< 50%) and raising severe environmental pollutions. Controlled- release nitrogen fertilizers (CRNFs) can control the release of N nutrients to NUE in crop production. Different methods were used to develop new CRNFs. However, different CRNF technologies are still underdeveloped due to inadequate controlling on N releasing time and/or unsustainable diffusion. The study on the influences of CRNF processing parameters on microbial conditions are lacking when the CRNFs composed of various bio-ingredients such as biochar, composts, and biowaste. The complexity of processing methods, material biodegradability, and other physical properties make current CRNFs of questionable value in agricultural production. This research aims to develop a novel biochar-compost-based controlled-release urea fertilizer (BCRUF) to preserve microbial properties carried by the compost. The BCRUF was synthesized by pelletizing the 50:50 (dry, wt/wt) mixture of biochar and compost. BCRUF was loaded with urea and then spray-coated with polylactic acid (PLA). The releasing time of two types of BCRUFs, coated and uncoated with PLA, for 80% of N release in water was up to 6 h at three different temperatures (4, 23, and 40 °C), compared to conventional urea fertilizer and commercial environmentally smart N (ESN) fertilizer. The releasing time of coated BCRUF for 80% N release in soil was up to 192 h (8 days). Fourier-transform infrared spectroscopy (FTIR) analysis revealed that no new functional groups were found in the release solution, indicating no new chemical hazards generated. The differential scanning calorimetry (DSC) tests also verified that its thermal stability could be up to 160 °C. The microbe populations in the BCRUF pellets were reduced after the pelleting and drying processes in BCRUF fabrication, but a few bacteria can endure in the air-drying process. BCRUF pellets soaked in water for 4 days retained some bacteria. The BCRUF showed very promising characteristics to improve NUE and sustainability in agricultural production.

58 GEOSCIENCES↗
DOE OSTI2019

Synthesis and Characterization of UO 2 Feedstocks containing Controlled Dopants

Within the Advanced Fuels Campaign, the Oak Ridge National Laboratory is looking into the fabrication of high-performance UO 2 fuel candidates. The aim of this study was to develop a suitable fabrication avenue to synthesize UO 2 feedstock with controlled dopants to enhance UO 2 grain growth within these fuel candidates. Enlarged UO 2 grains in a nuclear fuel pellet are expected to slow down fission gas diffusion, which would be a preferred property for a high-performance fuel compared to fission gas diffusion in standard UO 2 . The unique fabrication processes for microspherical feedstocks via the internal gelation approach at the Oak Ridge National Laboratory have been developed further to enable the dopant uptake within the UO 2 microspheres. Mn and Cr were added via infiltration and/or addition of the dopant to the starting broth of an internal gelation experiment. The dopants were added in various amounts (ppm) into UO 2 . Even though large amounts of these dopants volatized during sintering, scanning electron microscopy images of the microstructure revealed large UO 2 grains of up to 80 μm for the pellets that were prepared from doped microspherical feedstocks.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Assessment of the Performance of Hydrofluoroolefins, Hydrochlorofluoroolefins, and Halogen-Free Foam Blowing Agents in Cellular Plastic Foams

Oak Ridge National Laboratory has conducted a literature search to identify relevant information available on alternative materials and technologies that are proposed for foam blowing agents applications. For comparison, similar information was collected for available hydrofluorocarbons (HFC), hydrofluoroolefin (HFO), and hydrochlorofluoroolefins (HCFO) materials. The publicly available literature was analyzed and assessed for technical accuracy for each alternative, and a gap analysis was conducted to understand if additional studies are required to fully assess the viability of an alternative. In assessing these alternatives, this project focused on relevant performance and safety attributes. The performance attributes collected include insulation value per unit thickness, which impacts energy usage of buildings and insulated equipment such as refrigerators. We also assessed the impact of blowing agents on foam mechanical properties and flammability characteristics, and the ability of current processing equipment and techniques to utilize these alternatives. Diffusion of blowing agents through foam cells and its impact on foam aging was also examined. The applications covered in this study are spray foam, boardstock, panels, and appliances. Some of the most relevant findings are summarized below.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Probing Supercritical Phase Transition using Ultrafast X-ray Diagnostics (Final Technical Report)

Over recent years, several hypotheses have been put forward to elucidate supercritical transition states. Despite significant progress on the fundamental understanding of fluids at these supercritical conditions, important questions concerning the microstructure and dynamical processes remain. A particular research issue is hereby the fundamental understanding of the morphology of the molecular microstructure and its effect on the macroscopic behaviour and thermodynamic response functions. It is widely believed that the supercritical state is homogeneous without structural and dynamic observables to distinguish between a liquid and a vapor. However, recent investigations have identified regions of distinct liquid-like or vapor-like properties even under supercritical conditions. Specifically, it was shown that the transition between liquid-like and vapor-like states occurs across an extension to the coexistence line, marked by almost discontinuous changes in fluid properties. This transition was first identified experimentally by Nishikawa and Tanaka and stands in contrast to the classical presentation of the supercritical state space as a featureless, homogeneous domain. Structurally, the most important properties of supercritical fluids are the dynamic heterogeneities and local density fluctuations that are present within the fluid state at the microscopic level. These inhomogeneities are associated with the formation of molecular clusters of various sizes with liquid-like properties separated by voids of unbound gas-phase molecules which continuously restructure itself at picosecond timescales. By utilizing ultrafast X-ray Photon Correlation Spectroscopy (XPCS) at the Linac Coherent Light Source (LCLS) and X-ray synchrotron measurements as an experimental probe of these structural changes at the molecular level we seek to elucidate the higher-order phase transition from a liquid-like to a vapor-like state in the region extending the critical point. Open questions we seek to address particularly with XPCS are: (i) the underlying mechanisms responsible for the density fluctuations at supercritical conditions and how these dynamical processes at the molecular level affect the thermodynamic response functions and (ii) on what timescales do dynamical processes evolve that are associated with thermalization, molecular diffusion, and intermolecular cluster transfer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Global particle buildup simulations with gas puff scan: application to WEST discharge

This paper deals with the distribution of sources, transport, and exhaust of particles in a tokamak. Knowledge and understanding of all the physical phenomena involved in the global particle buildup are necessary to study and predict density regimes and subsequently to develop optimized scenarios for tokamak operation in order to control heat and particle exhaust. Neutral particles and their interactions with plasma are central in this perspective. This paper discusses the impact of varying the intensity of particle fueling in 2D transport simulations of a WEST discharge. Simulations are performed with an updated version of SOLEDGE-HDG that allows a more realistic transport of neutrals using a self-consistent diffusive model based on charge exchange and ionization processes. New code capabilities allow the entire WEST poloidal cross section to be simulated in a realistic configuration for both geometry and the range of control parameters. A gas puff scan illustrates the main features of the sheath-limited, high-recycling, and detached regimes, such as the buildup of the temperature gradient and the pressure drop in the scrape-off layer (SOL), the target temperature falling to 1 eV, and the ionization source moving away from the targets, as well as the particle flux rollover. A crude estimate of wall erosion is also provided, showing the respective role of each plasma wall component in each of these regimes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Electron Beam Melting of Niobium Alloys from Blended Powders

Niobium-based tungsten alloys are desirable for high-temperature structural applications yet are restricted in practice by limited room-temperature ductility and fabricability. Powder bed fusion additive manufacturing is one technology that could be leveraged to process alloys with limited ductility, without the need for pre-alloying. A custom electron beam powder bed fusion machine was used to demonstrate the processability of blended Nb-1Zr, Nb-10W-1Zr-0.1C, and Nb-20W-1Zr-0.1C powders, with resulting solid optical densities of 99+%. Ultimately, post-processing heat treatments were required to increase tungsten diffusion in niobium, as well as to attain satisfactory mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Time-dependent Perpendicular Transport of Energetic Particles for Different Turbulence Configurations and Parallel Transport Models

Recently, a new theory for the transport of energetic particles across a mean magnetic field was presented. Compared to other nonlinear theories the new approach has the advantage that it provides a full time-dependent description of the transport. Furthermore, a diffusion approximation is no longer part of that theory. The purpose of this paper is to combine this new approach with a time-dependent model for parallel transport and different turbulence configurations in order to explore the parameter regimes for which we get ballistic transport, compound subdiffusion, and normal Markovian diffusion.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Hydrogen Enrichment for Solid Oxide Fuel Cell Gas Turbine (SOFC/GT) Hybrid Power Generation Systems Using Mechanical Gas Separation

This presentation, given at the 37 th annual Pittsburgh Coal Conference on September 8-11, 2020, includes information on the process, previous work, normal and oblique shocks model, diffuser design model, and calculation results (expansion, recompression with no losses, and recompression with mass depletion). Summary includes the concept of aerodynamic separation of water and carbon dioxide from a SYNGAS stream and that deposition was modeled by mass depletion from a compressible flow.

VanOsdol, John↗
DOE OSTI2022

Controlled Dielectric Breakdown to Form Pinhole Passivated Contacts

This contribution explores a low-temperature route to forming dielectric pinholes to form poly-Si/dielectric/c-Si passivated contacts. The method utilizes controlled dielectric breakdown to form nanoscale pinholes in a thick (non-tunnelling) dielectric which, when annealed, allows dopant atoms to pass from doped poly-Si through the dielectric and into the c-Si wafer forming conductive pathways. We show that the pinholes can be repassivated with dopants and H diffusion which results in increased PL signals after processing. The method can be expanded to optimized dielectric passivation stacks (not just a single layer) and can be formed in parallel over the faces of the wafer in selected areas (only under the grid).

controlled dielectric breakdown↗
DOE OSTI2020

Unifying Advective and Diffusive Descriptions of Bedform Pumping in the Benthic Biolayer of Streams

Abstract Many water quality and ecosystem functions performed by streams occur in the benthic biolayer, the biologically active upper (~5 cm) layer of the streambed. Solute transport through the benthic biolayer is facilitated by bedform pumping, a physical process in which dynamic and static pressure variations over the surface of stationary bedforms (e.g., ripples and dunes) drive flow across the sediment‐water interface. In this paper we derive two predictive modeling frameworks, one advective and the other diffusive, for solute transport through the benthic biolayer by bedform pumping. Both frameworks closely reproduce patterns and rates of bedform pumping previously measured in the laboratory, provided that the diffusion model's dispersion coefficient declines exponentially with depth. They are also functionally equivalent, such that parameter sets inferred from the 2D advective model can be applied to the 1D diffusive model, and vice versa. The functional equivalence and complementary strengths of these two models expand the range of questions that can be answered, for example, by adopting the 2D advective model to study the effects of geomorphic processes (such as bedform adjustments to land use change) on flow‐dependent processes and the 1D diffusive model to study problems where multiple transport mechanisms combine (such as bedform pumping and turbulent diffusion). By unifying 2D advective and 1D diffusive descriptions of bedform pumping, our analytical results provide a straightforward and computationally efficient approach for predicting, and better understanding, solute transport in the benthic biolayer of streams and coastal sediments.

Grant, Stanley B.↗