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All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Final technical report

This final report covers the final year of the project. Reports from previous years were included in the group report for that year. The objective of this part of the project was to compare results from two large-scale, nonlinear plasma simulation codes based on magnetohydrodynamics, M3D and M3D-C1, for plasma edge instabilities. This is a difficult undertaking and the comparison was only partially successful because, while the MHD equations are standard, there are a number of valid MHD models of the plasma dissipation that make different approximations to their physics and the numerical implementation of a given model can be quite different depending on the way that the rest of the equations are solved. Large differences arise, and have major effects on the predicted plasma behavior, in the case of the greatest interest to this project, the plasma edge region under conditions where the plasma edge instabilities are strongest and the background plasma changes abruptly from interior hot, dense conditions to an unconfined, cool, diffuse plasma outside the magnetic boundary surface. Experimental observations only partially measure the background plasma and there are many non-MHD processes that can have important effects (studied in the rest of the project). Comparisons for edge instabilities at very small amplitude, the so-called linear modes, had showed good agreement for a few interior plasma instabilities, but strong differences between the default models for the plasma edge.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Analysis of ignition and stabilization modes in diesel spray flames using large eddy simulations and chemical explosive mode analysis

In this work, spray flames under diesel engine conditions are numerically investigated to understand the ignition and stabilization characteristics, based on state-of-the-art large eddy simulations (LES) and chemical explosive mode analysis (CEMA). In particular, CEMA is employed to identify such critical flame features as auto-ignition, premixed flame fronts, cool and strongly burning flames, and local extinction. In particular, a recently developed CEMA-based criterion for demarcating local combustion modes, that is, auto-ignition, diffusion-assisted ignition, and extinction, is applied to gain in-depth insights into the interactions of local chemical and transport processes. A series of one-dimensional non-premixed flamelets with varying air temperatures and scalar dissipation rates are first analyzed using CEMA with a focus on the role of each local mode in the transient ignition process. CEMA-based diagnostics are then applied to diesel spray flames at different ambient temperatures. The structure of local combustion modes is identified, while the contribution from each local mode to overall flame burning is quantified at different stages of the flame developing process. Effects of the ambient temperature on local combustion mode distribution, and subsequently on the ignition and stabilization mechanisms, are further examined. Results show that auto-ignition is the main mechanism for flame initiation and stabilization, while the role of diffusion is substantially enhanced as ambient temperature decreases.

assisted-ignition↗
DOE OSTI2026

Model‐Based Interpretation of Solute Exports and Carbon Partitioning During Shale Weathering in a Mountainous Hillslope

The weathering of sedimentary rocks in high-elevation catchments influences freshwater quality and the global carbon cycle. While individual biogeochemical mechanisms involved in this process are relatively well understood, quantifying their contributions to solute export and carbon fluxes under natural, transient conditions remains challenging. Here, we implement a numerical multidimensional and multiphase model to simulate coupled hydrological and biogeochemical processes in a shale-underlain, snow-dominated hillslope in the Rocky Mountains, Colorado. The model captures the dynamic interplay between soil respiration, mineral weathering, and climate-driven hydrological forcing, reproducing observed soil CO 2 dynamics, groundwater chemistry, and subsurface flow. Our results reveal that seasonal snowmelt enhances carbonate weathering by promoting the infiltration of CO 2 -rich water to depth, while pyrite oxidation is primarily sensitive to low water saturation that facilitates O 2 diffusion through the regolith. Topography modulates the spatial distribution of shale weathering, as steeper slopes enhance lateral drainage, favoring the delivery of reactants to greater depths. While shale weathering at our site acts as a transient carbon sink, with silicates and carbonates buffering acidity and promoting atmospheric CO 2 consumption (1% of soil-derived CO 2 ), the exported dissolved inorganic carbon is predominantly geogenic (∼73%). Consequently, when accounting for long-term marine carbonate precipitation. The current weathering regime represents a net source of carbon to the atmosphere. The oxidation of pyrite and petrogenic organic carbon together release approximately 0.9 mol·m −2 ·yr −1 of CO 2 . Our findings highlight the role of topography, hydroclimate, and the coupling between acid-base reactions in shaping the carbon balance and the solute exports in mountainous critical zones.

carbon cycling↗
DOE OSTI2016

VERA and VERA-EDU 3.5 Release Notes

The Virtual Environment for Reactor Applications components included in this distribution include selected computational tools and supporting infrastructure that solve neutronics, thermal-hydraulics, fuel performance, and coupled neutronics-thermal hydraulics problems. The infrastructure components provide a simplified common user input capability and provide for the physics integration with data transfer and coupled-physics iterative solution algorithms. Neutronics analysis can be performed for 2D lattices, 2D core and 3D core problems for pressurized water reactor geometries that can be used to calculate criticality and fission rate distributions by pin for input fuel compositions. MPACT uses the Method of Characteristics transport approach for 2D problems. For 3D problems, MPACT uses the 2D/1D method which uses 2D MOC in a radial plane and diffusion or SPn in the axial direction. MPACT includes integrated cross section capabilities that provide problem-specific cross sections generated using the subgroup methodology. The code can be executed both 2D and 3D problems in parallel to reduce overall run time. A thermal-hydraulics capability is provided with CTF (an updated version of COBRA-TF) that allows thermal-hydraulics analyses for single and multiple assemblies using the simplified VERA common input. This distribution also includes coupled neutronics/thermal-hydraulics capabilities to allow calculations using MPACT coupled with CTF. The VERA fuel rod performance component BISON calculates, on a 2D or 3D basis, fuel rod temperature, fuel rod internal pressure, free gas volume, clad integrity and fuel rod waterside diameter. These capabilities allow simulation of power cycling, fuel conditioning and deconditioning, high burnup performance, power uprate scoping studies, and accident performance. Input/Output capabilities include the VERA Common Input (VERAIn) script which converts the ASCII common input file to the intermediate XML used to drive all of the physics codes in the VERA Core Simulator (VERA-CS). VERA component codes either input the VERA XML format directly, or provide a preprocessor which can convert the XML into native input. VERAView is an interactive graphical interface for the visualization and engineering analyses of output data from VERA. The python-based software is easy to install and intuitive to use, and provides instantaneous 2D and 3D images, 1D plots, and alpha-numeric data from VERA multi-physics simulations. Testing within CASL has focused primarily on Westinghouse four-loop reactor geometries and conditions with example problems included in the distribution.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2019

Modeling CO 2 flow in support of a shallow subsurface controlled leakage field test

Here, controlled release of carbon dioxide (CO 2 ) into the soil and atmosphere is performed to test detection and monitoring tools, for which several field laboratories were established by a number of institutions worldwide. Numerical simulations of CO 2 behavior in the shallow subsurface region are other forms of validation and verification of the leakage pathways and destinations. These reports aim to improve monitoring and verification of CO 2 in case of unexpected leakages for public assurance. In this work, we introduce the results of a numerical modeling study conducted to simulate the injection of CO 2 as carried out during a field test in Viamão, southern Brazil, where 20 kg day –1 of CO 2 was pumped for 30 days through a vertical well 3 m below ground in an altered granitic soil. Multiphase flow simulations were performed with the TOUGH2/EOS7CA software for unsaturated porous media, using field data and injection parameters, including sensitivity tests to permeability direction, diffusivity, and boundary conditions. Results with increased horizontal permeabilities are in better agreement with the field observations. In this condition, mass balance calculations indicate approximately 90% of injected CO2 (20 kg day –1 during 30 days) remains in the soil after 180 days from injection start, consistent with the measured flow through the soil–atmosphere interface.

03 NATURAL GAS↗
DOE OSTI2018

Heat and Mass Transfer in the Drying of a Cylindrical Body in an Oscillating Magnetic Field

A problem on the heating of a cylindrical body of infinite length in an oscillating electromagnetic field in the process of its drying has been formulated and solved analytically with account of the intermittence of irradiation of the body defined by the Heaviside unit function, the exponential-law absorption of electromagnetic energy by it, and the convective heat and mass exchange between the surface of the body and the environment having constant parameters. The intensity of evaporation of moisture from the surface of the body was determined on the basis of analytical solution of the problem on the mass transfer (moisture diffusion) in it on the assumption that the phase transformations of the body proceed near its surface. Solutions of the problem on the heating of the cylindrical body have been obtained for the cases of nonuniform and uniform distributions of its local temperature, the temperature of the body averaged over its volume, and the temperature gradient near the surface of the body. The 'serviceability' of these solutions was verified on the basis of numerical simulation, with them, of the drying of a seed shaped as a cylinder under the action of an oscillating infrared radiation. As a result of the numerical simulation performed, a technological regime of drying of seeds at minimum and maximum temperatures of their heating by on oscillating infrared radiation for a definite period of time in a cycle, providing not only the drying of the seeds but also substantial improvement of their sowing properties (the sprouting energy and the germination power), has been found. It is shown that the oscillating infrared heating of seeds can be used for their drying in pseudofluidized and vibrofluidized beds.

42 ENGINEERING↗
DOE OSTI2014

Abundant molecular gas and inefficient star formation in intracluster regions: ram pressure stripped tail of the Norma galaxy ESO137-001

For the first time, we reveal large amounts of cold molecular gas in a ram-pressure-stripped tail, out to a large 'intracluster' distance from the galaxy. With the Actama Pathfinder EXperiment (APEX) telescope, we have detected {sup 12}CO(2-1) emission corresponding to more than 10{sup 9} M {sub ☉} of H{sub 2} in three Hα bright regions along the tail of the Norma cluster galaxy ESO 137-001, out to a projected distance of 40 kpc from the disk. ESO 137-001 has an 80 kpc long and bright X-ray tail associated with a shorter (40 kpc) and broader tail of numerous star forming H II regions. The amount of ∼1.5 × 10{sup 8} M {sub ☉} of H{sub 2} found in the most distant region is similar to molecular masses of tidal dwarf galaxies, though the standard Galactic CO-to-H{sub 2} factor could overestimate the H{sub 2} content. Along the tail, we find the amount of molecular gas to drop, while masses of the X-ray-emitting and diffuse ionized components stay roughly constant. Moreover, the amounts of hot and cold gas are large and similar, and together nearly account for the missing gas from the disk. We find a very low SFE (τ{sub dep} > 10{sup 10} yr) in the stripped gas in ESO 137-001 and suggest that this is due to a low average gas density in the tail, or turbulent heating of the interstellar medium that is induced by a ram pressure shock. The unprecedented bulk of observed H{sub 2} in the ESO 137-001 tail suggests that some stripped gas may survive ram pressure stripping in the molecular phase.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Time-domain theory of transient heat conduction in the local limit

Ultrafast and nanoscale heat conduction demands a unified theoretical framework that rigorously bridges macroscopic transport equations with microscopic material properties derived from statistical physics. Existing empirical generalizations of Fourier's law often lack a solid microscopic foundation, failing to connect observed non-Fourier behavior with underlying atomic-scale mechanisms. In this work, we present a time-domain theory of transient heat conduction rooted in Zwanzig's statistical theory of irreversible processes. Central to this framework is the time-domain transport function $\overleftrightarrow{𝑍}$⁡(𝑡) defined through equilibrium time-correlation functions of heat fluxes. This function generalizes the conventional concept of steady-state thermal conductivity, governing the transition of conduction dynamics from onset second sound type wave propagation at finite speeds to diffusion-dominated behavior across broad temporal and spatial scales. Unlike phonon hydrodynamic models that rely on mesoscopic constructs such as phonon drift velocity, our approach provides a quantitative and microscopic description of intrinsic memory effects in transient heat fluxes and applies universally to bulk materials at any temperature or length scale. By integrating atomistic-scale first-principles calculations with continuum-level macroscopic equations, this framework offers a robust foundation for numerical simulations of transient temperature fields. Furthermore, it facilitates the interpretation and design of transient thermal grating experiments using nanometer-scale heat sources and ultrafast laser systems in the extreme ultraviolet and x-ray wavelength ranges, advancing our understanding of heat dissipation dynamics.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

The physical basis for solvent flow in organic solvent nanofiltration

Organic solvent nanofiltration (OSN) is an emerging membrane technology that could revolutionize chemical separations in numerous vital industries. Despite its significance, there remains a lack of fundamental understanding of solvent transport mechanisms in OSN membranes. Here, we use an extended Flory-Rehner theory, nonequilibrium molecular dynamic simulations, and organic solvent transport experiments to demonstrate that solvent flow in OSN membranes is driven by a pressure gradient. We show that solvent molecules migrate as clusters through interconnected pathways within the membrane pore structure, challenging the widely accepted diffusion-based view of solvent transport in OSN. We further reveal that solvent permeance is dependent on solvent affinity to the OSN membrane, which, in turn, controls the membrane pore structure. Our fundamental insights lay the scientific groundwork for the development of next-generation OSN membranes.

42 ENGINEERING↗
DOE OSTI2016

Electron energy balance and ionization in the channel of a stationary plasma thruster

The paper presents results of numerical simulations of the electron dynamics in the field of the azimuthal and longitudinal waves excited in the channel of a stationary plasma thruster (SPT). The simulations are based on the experimentally determined wave characteristics. The simulation results show that the azimuthal wave displayed as ionization instability enhances electron transport along the thruster channel. It is established that the electron transport rate in the azimuthal wave increases as compared to the rate of diffusion caused by electron scattering from neutral atoms in proportion to the ratio between the times of electron− neutral collisions responsible for ionization and elastic electron scattering, respectively. An expression governing the plasma conductivity is derived with allowance for electron interaction with the azimuthal wave. The Hall parameter, the electron component of the discharge current, and the electron heating power in the thruster channel are calculated for two model SPTs operating with krypton and xenon. The simulation results agree well with the results of experimental studies of these two SPTs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Entropy Stable Discretization of Compressible Flows in Thermochemical Nonequilibrium

Entropy stable numerical methods for compressible flow have been demonstrated to exhibit better robustness than purely linearly stable methods and need less overall artificial dissipation for long simulations in subsonic and transonic flows. In this work we seek to extend these benefits to multicomponent, multitemperature flows in thermochemical nonequilibrium such as combustion and hypersonic flight. We first derive entropy functions that symmetrize the governing equations and allow stability proofs for such systems. The impact of diffusion model selection on provable entropy stability is considered in detail, including both rigorous models of irreversible thermodynamics and simplified models of greater practical interest. Based on the proven entropy functions we develop affordable, entropy conservative two-point flux functions for solution in conservation form. We derive entropy conservative fluxes for calorically and thermally perfect mixtures, with heat capacities described by either polynomials of the temperature or formulas from statistical thermodynamics.

42 ENGINEERING↗
DOE OSTI2022

Mass Transport in Membrane Systems: Flow Regime Identification by Fourier Analysis

The numerical calculation of local mass distributions in membrane systems by computational fluid dynamics (CFD) offers indispensable benefits. However, the concept to calculate such distributions in response to separate variations of operation conditions (OCs) makes it difficult to address overall, flow-physics-related questions, which require the consideration of the collective interaction of OCs. It is shown that such understanding-related relationships can be obtained by the analytical solution of the advection–diffusion equation considered. A Fourier series model (FSM) is presented, which provides exact solutions of an advection–diffusion equation for a wide range of OCs. On this basis, a new zeroth-order model is developed, which is very simple and as accurate as the complete FSM for all conditions of practical relevance. Advection-dominated blocked and diffusion-dominated unblocked flow regimes are identified (depending on a Péclet number which compares the flow geometry with a length scale imposed by the flow), which implies relevant requirements for the use of lab results for pilot- and full-scale applications. Analyses reveal the equivalence of variations of OCs, which offers a variety of options to accomplish desired flow regime changes.

Heinz, Stefan (ORCID:0000000248712416)↗
DOE OSTI2024

Simulations of flaming combustion and flaming-to-smoldering transition in wildland fire spread at flame scale

Our objective in the present study is to provide basic insights into the coupling between external-gas and solid biomass vegetation processes that control the dynamics of flame spread in wildland fire problems. Here we focus on a modeling approach that resolves processes occurring at vegetation and flame scales, i.e., the formation of flammable vapors due to the thermal degradation of the solid biomass, the subsequent combustion in ambient air, the thermal feedback to the biomass through radiative and convective heat transfer, and the possible transition from flaming combustion (taking place outside of the solid biomass) to smoldering combustion (taking place inside the solid biomass). The capability uses a multiphase combustion framework and treats external-gas processes through a Large Eddy Simulation solver and solid biomass processes through a discrete particle model. The discrete particle model adopts a one-dimensional porous medium formulation, includes descriptions of drying, thermal pyrolysis, oxidative pyrolysis, and char oxidation, as well as a description of the external-gas-to-solid-biomass diffusion of oxygen mass; the discrete particle model thereby provides a treatment of in-depth oxidative processes and allows the simulation of smoldering combustion. The modeling capability is applied to the simulation of fire spread across a surrogate biomass vegetation bed corresponding to a discrete array of cylindrical-shaped, vertically-oriented, pine wood sticks, characterized by a monomodal size distribution, in horizontal flat terrain and under wind-aided conditions. The numerical results demonstrate that the model can simulate successful flaming-to-smoldering transition followed by complete biomass consumption.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

Identifying the Growth Phase of Magnetic Reconnection Using Pressure‐Strain Interaction

Abstract Magnetic reconnection often initiates abruptly and then rapidly progresses to a nonlinear quasi‐steady state. While satellites frequently detect reconnection events, ascertaining whether the system has achieved steady‐state or is still evolving in time remains challenging. Here, we propose that the relatively rapid opening of the reconnection separatrices within the electron diffusion region serves as an indicator of the growth phase of reconnection. The opening of the separatrices is produced by electron flows diverging away from the neutral line downstream of the X‐line and flowing around a dipolarization front. This flow pattern leads to characteristic spatial structures in the electron pressure‐strain interaction that could be a useful indicator for the growth phase of a reconnection event. We employ two‐dimensional particle‐in‐cell numerical simulations of anti‐parallel magnetic reconnection to validate this prediction. We find that the signature discussed here, alongside traditional reconnection indicators, can serve as a marker of the growth phase. This signature is potentially accessible using multi‐spacecraft single‐point measurements, such as with NASA's Magnetospheric Multiscale satellites in Earth's magnetotail. Applications to other settings where reconnection occurs are also discussed.

Barbhuiya, M. Hasan [Department of Physics and Ast↗
DOE OSTI2013

Feasibility study of endoscopic x-ray luminescence computed tomography: Simulation demonstration and phantom application

Even though endoscopic fluorescence diffuse optical tomography (eFDOT) exhibits significant potential, currently its application is limited due to the existence of strong autofluorescence and the imaging inaccuracy caused by a very short source-detector distance. Motivated by the emerging X-ray luminescence computed tomography (XLCT) technology, we presented an endoscopic XLCT (eXLCT) methodology. In the methodology, the aperture angle of the objective was incorporated into the forward model, providing a more accurate description of light propagation. Numerical simulation with a heterogeneous geometry and an imaging experiment with a physical phantom were illustrated to demonstrate the feasibility of the presented eXLCT methodology.

36 MATERIALS SCIENCE↗
DOE OSTI2013

MULTI-WAVELENGTH OBSERVATIONS OF THE SPATIO-TEMPORAL EVOLUTION OF SOLAR FLARES WITH AIA/SDO. II. HYDRODYNAMIC SCALING LAWS AND THERMAL ENERGIES

In this study we measure physical parameters of the same set of 155 M- and X-class solar flares observed with AIA/SDO as analyzed in Paper I, by performing a differential emission measure analysis to determine the flare peak emission measure EM{sub p} , peak temperature T{sub p} , electron density n{sub p} , and thermal energy E{sub th}, in addition to the spatial scales L, areas A, and volumes V measured in Paper I. The parameter ranges for M- and X-class flares are log (EM{sub p}) = 47.0-50.5, T{sub p} = 5.0-17.8 MK, n{sub p} = 4 × 10{sup 9}-9 × 10{sup 11} cm{sup –3}, and thermal energies of E{sub th} = 1.6 × 10{sup 28}-1.1 × 10{sup 32} erg. We find that these parameters obey the Rosner-Tucker-Vaiana (RTV) scaling law T{sub p}{sup 2}∝n{sub p} L and H∝T {sup 7/2} L {sup –2} during the peak time t{sub p} of the flare density n{sub p} , when energy balance between the heating rate H and the conductive and radiative loss rates is achieved for a short instant and thus enables the applicability of the RTV scaling law. The application of the RTV scaling law predicts power-law distributions for all physical parameters, which we demonstrate with numerical Monte Carlo simulations as well as with analytical calculations. A consequence of the RTV law is also that we can retrieve the size distribution of heating rates, for which we find N(H)∝H {sup –1.8}, which is consistent with the magnetic flux distribution N(Φ)∝Φ{sup –1.85} observed by Parnell et al. and the heating flux scaling law F{sub H} ∝HL∝B/L of Schrijver et al.. The fractal-diffusive self-organized criticality model in conjunction with the RTV scaling law reproduces the observed power-law distributions and their slopes for all geometrical and physical parameters and can be used to predict the size distributions for other flare data sets, instruments, and detection algorithms.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

DISTRIBUTION OF PLASMOIDS IN POST-CORONAL MASS EJECTION CURRENT SHEETS

Recently, the fragmentation of a current sheet in the high-Lundquist-number regime caused by the plasmoid instability has been proposed as a possible mechanism for fast reconnection. In this work, we investigate this scenario by comparing the distribution of plasmoids obtained from Large Angle and Spectrometric Coronagraph (LASCO) observational data of a coronal mass ejection event with a resistive magnetohydrodynamic simulation of a similar event. The LASCO/C2 data are analyzed using visual inspection, whereas the numerical data are analyzed using both visual inspection and a more precise topological method. Contrasting the observational data with numerical data analyzed with both methods, we identify a major limitation of the visual inspection method, due to the difficulty in resolving smaller plasmoids. This result raises questions about reports of log-normal distributions of plasmoids and other coherent features in the recent literature. Based on nonlinear scaling relations of the plasmoid instability, we infer a lower bound on the current sheet width, assuming the underlying mechanism of current sheet broadening is resistive diffusion.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Nonlinear Ensemble Filtering with Diffusion Models: Application to the Surface Quasigeostrophic Dynamics

The intersection between classical data assimilation methods and novel machine learning techniques has attracted significant interest in recent years. Here, we explore another promising solution in which diffusion models are used to formulate a robust nonlinear ensemble filter for sequential data assimilation. Unlike standard machine learning methods, the proposed ensemble score filter (EnSF) is completely training free and can efficiently generate a set of analysis ensemble members. Here, in this study, we apply the EnSF to a surface quasigeostrophic model and compare its performance against the popular local ensemble transform Kalman filter (LETKF), which makes Gaussian assumptions in the analysis step. Numerical tests demonstrate that EnSF maintains stable performance in the absence of localization and for a variety of experimental settings. We find that while LETKF maintains optimal performance in the case of linear observations of the entire state and a perfect model, EnSF shows improvements over LETKF when nonlinear observations are assimilated and the system is subject to unexpected model errors. A spectral decomposition of the analysis results in this nonlinear observation regime shows that the largest improvements over LETKF occur at large scales (small wavenumbers), where LETKF lacks sufficient ensemble spread. Overall, this initial application of EnSF to a geophysical model of intermediate complexity motivates further development of the algorithm for more realistic problems.

Artificial intelligence↗