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NASA NTRS2021

Assessment of RANS-based Transition Models based on Experimental Data of the Common Research Model with Natural Laminar Flow

Transition models based on auxiliary transport equations augmenting the Reynolds-averaged Navier-Stokes (RANS) framework often rely upon transition correlations that were derived from a limited number of low-speed experiments and these models often fail to account for all of the relevant transition mechanisms and/or the variation in those mechanisms with respect to changes in the significant flow parameters. Available data from a recent experiment on the Common Research Model with Natural Laminar Flow (CRM-NLF) in the National Transonic Facility at the NASA Langley Research Center are used to assess the current transition modeling capability in NASA's OVERFLOW 2.3b solver for a swept wing configuration with nonzero taper and transonic cruise conditions. Specifically, the OVERFLOW solutions are used to evaluate the accuracy and robustness of the transport-equation-based transition models. Results highlight that the Spalart-Allmaras-based amplification factor transport (AFT-2017b) equation model and Menter’s shear-stress transport equation (SST2003)-based Langtry-Menter transition models (either with or without the modeling of crossflow transition) significantly underpredict the reported extent of laminar flow region over the entire span of the wing, irrespective of which instability mechanism(s) is expected to dominate the onset of the transition process. We show that the transition correlations underlying these models fail to account for the stabilizing effect of compressibility on the Tollmien-Schlichting transition, which is likely to be a major contributor to the underprediction of the laminar flow region on the CRM-NLF. The SST-2003-based Langtry-Menter model also appears to inaccurately predict the chordwise pressure variation along the majority of the wing span at all the flow conditions studied herein, due to how the turbulence intensity levels were enforced in the computations and how that was interfering with the functioning of the underlying turbulence model within the boundary layer. The AFT and Langtry-Menter models appear to be sensitive to the level of the freestream turbulence intensity, but the degree of sensitivity varies across the models.

CFD modeling↗

DOE OSTI2025

Prediction of defect properties in concentrated solid solutions using a Langmuir-like model

The alleged existence of sluggish diffusion in high-entropy alloys has drawn controversy. In high-entropy alloys and, in general, in all solids, transport properties are controlled by point defect concentration, which must be known before performing atomistic simulations to compute transport coefficients. In this work, we present a general Langmuir-like model for defect concentration in an arbitrarily complex solid solution and apply this model to generate expressions for concentrations of vacancies and small interstitial atoms. We then calculate the vacancy concentration as a function of temperature in the equiatomic CoNiCrFeMn and FeAl alloys with modified embedded-atom-method potentials for various chemical orderings, showing there is no clear correlation between vacancy thermodynamics and chemical ordering in the CoNiCrFeMn alloy, but clear systematic patterns for FeAl. We believe this is due to the high stability of disordered, random, and ordered intermetallic phases, respectively, in the CoNiCrFeMn and FeAl systems. Finally, this work provides future avenues to the prediction of thermal interstitials and vacancies in solid solutions, which is necessary for models of nonequilibrium behavior of solid solutions.

composition↗

DOE OSTI2023

Effects of Mineral Impurities and Heat on Uranium(VI) Sorption onto Bentonite (Final Report)

Most nuclear waste disposal options include compacted bentonite, consisting of montmorillonite clay, as part of a barrier system to minimize contaminant mobility. Uranium (U) is the primary element in spent nuclear fuel, and from an environmental perspective, a potential contaminant of water resources. Furthermore, uranium may control nuclear fuel degradation rates and the consequent release of other radioactive contaminants based on its diffusive transport away from waste canisters. Uranium sorption onto clay and other mineral surfaces is expected to limit U(VI) mobility in these systems. However, at this point a prediction of U(VI) sorption and transport behavior in performance assessment (PA) models is complicated by a series of factors, such as: (1) the presence of various U(VI) solution species with different charges and sorption characteristics; (2) the complex microstructure of montmorillonite clay resulting in two types of clay porosities and multiple sorption sites; (3) the largely unknown effects of bentonite mineral impurities on pore water chemistry, U(VI) sorption and diffusion behavior; and (4) the potential impacts of heat, generated by the decay of spent fuel, on mineralogical and microstructural transformations, and any subsequent effects on radionuclide sorption and mobility. In this project, we investigated the effects of calcite impurities on U(VI) sorption and diffusion onto montmorillonite before and after mineral exposure to heat. Overall, our main goals were to: 1. Gain a mechanistic understanding of the effects of calcite impurities on U(VI) sorption and diffusion in montmorillonite/bentonite at variable chemical conditions, and before and after mineral exposure to heat; and to 2. Work towards the development of new surface complexation and diffusion models to predict U(VI) sorption and mobility in montmorillonite/bentonite while accounting for the impacts of calcite impurities and heat. In order to achieve these goals, we pursued the following research objectives and tasks: 1. Characterize the effects of calcite impurities on U(VI) sorption onto Na-montmorillonite, and evaluate if and how these effects change due to solids’ exposure to heat (Task 1). 2. Characterize U(VI) surface speciation in solid samples from Task 1, with a particular focus on U(VI) precipitates and co-precipitates (Task 2). 3. Test the relevance of observed changes in U(VI) sorption characteristics for U(VI) diffusive transport behavior in bentonite barriers (Task 3). 4. Evaluate the exclusion of anionic U(VI) solution complexes from clay nanopores (Task 4). 5. Building on Tasks 1-4, start the development of new surface complexation and reactive transport models that can simulate and predict U(VI) sorption and diffusion in complex bentonite systems (Task 5). A detailed description of all tasks, and their specific results and conclusions is provided in this report.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1973

Study of helium emissions from active solar regions

A theoretical study is made of the visible and UV line radiation of He I atoms and He II ions from a plane-parallel model flare layer. Codes were developed for the solution of the statistically steady state equation for a 30 level He I - II - III model, and the line and continuum transport equations. These codes are described and documented in the report along with sample solutions. Optical depths and some line intensities are presented for a 1000 km thick layer. Solutions of the steady state equations are presented for electron temperatures 10,000 to 50,000 K and electron densities 10 to the 10th power to 10 to the 14th power/cu cm.

Kulander, J. L.↗

DOE OSTI2025

Self-consistent modeling of tokamak edge plasma transport with lithium sources

Magnetic confinement fusion devices require effective heat and particle exhaust solutions on the divertor plates to operate sustainably, especially under reactor-relevant conditions. Liquid lithium divertors have been proposed to address two major challenges: control of excessive heat flux to plasma-facing components through vapor shielding and minimization of core plasma contamination from impurities. The National Spherical Torus Experiment-Upgrade (NSTX-U) will explore lithium as a divertor material due to its potential to meet both objectives. We present a self-consistent coupling framework between the plasma boundary transport code UEDGE and the lithium wall transport code Wall–Li to evaluate the feasibility and operational limits of lithium-based divertors. The model aims to optimize lithium sourcing levels to prevent core plasma contamination via fuel dilution while ensuring divertor protection through vapor shielding. This integrated framework, applicable to any tokamak with lithium sources, dynamically adjusts lithium sourcing based on local plasma conditions and surface temperature. The coupled model is tested using NSTX-like geometry and plasma conditions to assess its performance and reliability. Wall–Li calculates lithium fluxes from plasma-facing components, incorporating physical sputtering, thermally enhanced sputtering, and evaporation driven by surface temperature and ion flux. These fluxes are reintroduced into UEDGE as neutral lithium atoms, enabling simulation of their transport and distribution within the plasma. UEDGE computes plasma and neutral transport, surface heat flux, and iteratively feeds this information back to Wall–Li. A small time step is employed to ensure numerical stability and convergence, enabling accurate simulations over typical tokamak discharge durations. This integrated modeling approach provides a robust tool for identifying operational regimes that balance effective lithium sourcing with minimal core plasma contamination, offering critical insights for optimizing lithium-based divertor systems in current and future fusion devices.

Magnetic confinement fusion↗

DOE OSTI2026

ML-Based Pebble Power Reconstruction for Pebble Bed Reactor Analysis

Pebble power reconstruction has been explored to complement the conventional homogenized modeling approach in pebble bed reactor (PBR) analysis, as detailed heterogeneous geometry calculations are computationally expensive. The random distribution of pebble fuels within the core challenges the application of conventional pin power reconstruction methods. To address this, we introduce a machine learning approach based on the transformer model, composed of encoder and decoder layers, to estimate the flux and power form functions for reconstructing individual pebble neutron fluxes and powers. The homogeneous neutron flux distribution within each spectral zone (SZ) is obtained from finite element solutions of global diffusion or transport calculations. Verification tests demonstrate that the trained transformer model accurately predicts power form functions over a range of conditions, including variations in pebble enrichment, location, type, SZ size, and burnup. In particular, verification using a three-dimensional PBR benchmark with burned pebbles shows good agreement in heterogeneous pebble power distributions between Griffin and Serpent. These results highlight the potential of applying conventional pin power reconstruction approaches to PBR cores with randomly distributed pebbles.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

Launch Alaska Transportation and Energy Accelerator (LATEA)

The Launch Alaska Transportation and Energy Accelerator (LATEA), funded through the U.S. Department of Energy Office of Technology Commercialization’s Energy Program for Innovation Clusters (EPIC),advanced deployment of innovative and efficient transportation and energy technology in Alaska from October 2021 through June 2025. The project was designed to leverage Launch Alaska’s accelerator model to identify, recruit, and support transportation technology companies with novel solutions to market needs while building the stakeholder networks, demonstration opportunities, and institutional capacity necessary to accelerate commercialization in one of the most challenging operating environments in the United States.

08 HYDROGEN↗

NASA NTRS2004

Minnowbrook IV: 2003 Workshop on Transition and Unsteady Aspects of Turbomachinery Flows

This Minnowbrook IV 2003 workshop on Transition and Unsteady Aspects of Turbomachinery Flows includes the following topics: 1) Current Issues in Unsteady Turbomachinery Flows; 2) Global Instability and Control of Low-Pressure Turbine Flows; 3) Influence of End Wall Leakage on Secondary Flow Development in Axial Turbines; 4) Active and Passive Flow Control on Low Pressure Turbine Airfoils; 5) Experimental and Numerical Investigation of Transitional Flows as Affected by Passing Wakes; 6) Effects of Freestream Turbulence on Turbine Blade Heat Transfer; 7) Bypass Transition Via Continuous Modes and Unsteady Effects on Film Cooling; 8) High Frequency Surface Heat Flux Imaging of Bypass Transition; 9) Skin Friction and Heat Flux Oscillations in Upstream Moving Wave Packets; 10) Transition Mechanisms and Use of Surface Roughness to Enhance the Benefits of Wake Passing in LP Turbines; 11) Transient Growth Approach to Roughness-Induced Transition; 12) Roughness- and Freestream-Turbulence-Induced Transient Growth as a Bypass Transition Mechanism; 13) Receptivity Calculations as a Means to Predicting Transition; 14) On Streamwise Vortices in a Curved Wall Jet and Their Effect on the Mean Flow; 15) Plasma Actuators for Separation Control of Low Pressure Turbine Blades; 16) Boundary-Layer Separation Control Under Low-Pressure-Turbine Conditions Using Glow-Discharge Plasma Actuators; 17) Control of Separation for Low Pressure Turbine Blades: Numerical Simulation; 18) Effects of Elevated Free-Stream Turbulence on Active Control of a Separation Bubble; 19) Wakes, Calming and Transition Under Strong Adverse Pressure Gradients; 20) Transitional Bubble in Periodic Flow Phase Shift; 21) Modelling Spots: The Calmed Region, Pressure Gradient Effects and Background; 22) Modeling of Unsteady Transitional Flow on Axial Compressor Blades; 23) Challenges in Predicting Component Efficiencies in Turbomachines With Low Reynolds Number Blading; 24) Observations on the Causal Relationship Between Blade Count and Developing Rotating Stall in a Four Stage Axial Compressor; 25) Experimental and Numerical Study of Non-Linear Interactions in Transonic Nozzle Flow; 26) Clocking Effects on a Modern Stage and One-Half Transonic Turbine; 27) DNS and LES of Transition on Turbine Blades; 28) The Use of Cellular Automata in Modeling the Transition; 29) Predicting Unsteady Buffet Onset Using RANS Solutions; 30) Transition Modelling With the SST Turbulence Model and an Intermittency Transport; and 31) Equation Workshop Summary Transcript

LaGraff, John E.↗

NASA NTRS2002

Computing Aerodynamic Performance of a 2D Iced Airfoil: Blocking Topology and Grid Generation

The ice accrued on airfoils can have enormously complicated shapes with multiple protruded horns and feathers. In this paper, several blocking topologies are proposed and evaluated on their ability to produce high-quality structured multi-block grid systems. A transition layer grid is introduced to ensure that jaggedness on the ice-surface geometry do not to propagate into the domain. This is important for grid-generation methods based on hyperbolic PDEs (Partial Differential Equations) and algebraic transfinite interpolation. A 'thick' wrap-around grid is introduced to ensure that grid lines clustered next to solid walls do not propagate as streaks of tightly packed grid lines into the interior of the domain along block boundaries. For ice shapes that are not too complicated, a method is presented for generating high-quality single-block grids. To demonstrate the usefulness of the methods developed, grids and CFD solutions were generated for two iced airfoils: the NLF0414 airfoil with and without the 623-ice shape and the B575/767 airfoil with and without the 145m-ice shape. To validate the computations, the computed lift coefficients as a function of angle of attack were compared with available experimental data. The ice shapes and the blocking topologies were prepared by NASA Glenn's SmaggIce software. The grid systems were generated by using a four-boundary method based on Hermite interpolation with controls on clustering, orthogonality next to walls, and C continuity across block boundaries. The flow was modeled by the ensemble-averaged compressible Navier-Stokes equations, closed by the shear-stress transport turbulence model in which the integration is to the wall. All solutions were generated by using the NPARC WIND code.

Chi, X.↗

NASA NTRS1973

Preliminary numerical analysis of improved gas chromatograph model

A mathematical model for the gas chromatograph was developed which incorporates the heretofore neglected transport mechanisms of intraparticle diffusion and rates of adsorption. Because a closed-form analytical solution to the model does not appear realizable, techniques for the numerical solution of the model equations are being investigated. Criteria were developed for using a finite terminal boundary condition in place of an infinite boundary condition used in analytical solution techniques. The class of weighted residual methods known as orthogonal collocation is presently being investigated and appears promising.

Woodrow, P. T.↗

NASA NTRS1976

Modeling of three-dimensional mixing and reacting ducted flows

A computer code, based upon a finite element solution algorithm, was developed to solve the governing equations for three-dimensional, reacting boundary region, and constant area ducted flow fields. Effective diffusion coefficients are employed to allow analyses of turbulent, transitional or laminar flows. The code was used to investigate mixing and reacting hydrogen jets injected from multiple orifices, transverse and parallel to a supersonic air stream. Computational results provide a three-dimensional description of velocity, temperature, and species-concentration fields downstream of injection. Experimental data for eight cases covering different injection conditions and geometries were modeled using mixing length theory (MLT). These results were used as a baseline for examining the relative merits of other mixing models. Calculations were made using a two-equation turbulence model (k+d) and comparisons were made between experiment and mixing length theory predictions. The k+d model shows only a slight improvement in predictive capability over MLT. Results of an examination of the effect of tensorial transport coefficients on mass and momentum field distribution are also presented. Solutions demonstrating the ability of the code to model ducted flows and parallel strut injection are presented and discussed.

Zelazny, S. W.↗

NASA NTRS1978

Effects of particle drift on cosmic ray transport. II - Analytical solution to the modulation problem with no latitudinal diffusion

An analytical solution to a model of the modulation of galactic cosmic rays in the presence of particle drifts is presented and discussed. The solution assumes an energy-independent radial diffusion coefficient proportional to distance and no latitudinal diffusion, and includes energy-independent particle drift velocities similar to those expected in a Parker spiral magnetic field with an equatorial current sheet. The solutions clearly demonstrate the large effects of drifts on the modulated cosmic-ray intensity. For values of the radial diffusion coefficient and particle drift velocity which are plausible for 1-GV-rigidity protons, the logarithmic radial gradient in the inner solar system is reduced by more than a factor of 5 over the value calculated in the absence of drifts. It is found that even for much smaller values of particle drift velocity and radial diffusion coefficient, such as might be expected for protons with energies of the order of 10 MeV, the effects of the drifts can be substantial.

Isenberg, P. A.↗

DOE OSTI2020

HPC4Mobilty w/ UCB

The purpose of this project is to examine the energy impact of urban-scale traffic for the Los Angeles Basin by developing and implementing a scalable traffic assignment model. An energy optimization function will be posed and when integrated into the optimization code for travel assignment it can be mathematically proven to converge. The energy optimization function can then be compared to the typical travel time optimization that is traditionally used in traffic assignment models. The analysis will begin with static traffic assignment models with the routing for all origin and destinations computed in parallel on high performance computing facilities. Convergence of the numerical methods rely on the solution of convex programs (or extensions of these). This step will mostly consist of demonstrating the ability to parallelize the Frank Wolfe algorithm on various platforms. This work will contribute to LBNL’s efforts to develop new processes, analytical tools, program designs, and business models to advance the state of the art in next-generation sustainable transportation solutions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS2016

Hall2De Simulations with a First-Principles Electron Transport Model Based on the Electron Cyclotron Drift Instability

Several years of work have combined plasma measurements in a laboratory Hall thruster and r-z numerical simulations with Hall2De to isolate the spatial variation of the anomalous collision frequency needed in Ohm’s law to produce the observed thruster behavior. This numerical solution is used here to test the validity of a first-principles model of the anomalous transport in these devices before such model is implemented self-consistently in r-z fluid codes like Hall2De. The first-principles model employs quasi-linear theory and is based on the hypothesis that the Electron Cyclotron Drift Instability (ECDI) excites ion acoustic turbulence that, in turn, enhances the effective collision frequency in these devices. We find that a model of the ECDI that assumes Maxwellian velocity distributions for electrons and singly-charged, main-beam, cold ions (Ti=0.07 eV) is insufficient to explain the expected variation of the anomalous collision frequency both in the interior and exterior of the acceleration channel. When warm ions (~0.5-3 eV) are accounted for, the ECDI model in the channel interior appears more promising but fails by orders of magnitude in the near plume region due to the much higher Landau damping of the ion acoustic waves there. This implies that either (a) some process allows the ECDI instability to remain uninhibited by classical Landau damping or, (b) that a different instability (or instabilities) altogether, also insusceptible to Landau damping, is/are active in this region. A previous hypothesis, that convection of wave energy generated by the ECDI in the channel plays a significant role in the near plume, is not supported by the results of the simulations.

Mikellides, Ioannis G.↗

DOE OSTI2022

Improving future travel demand projections: a pathway with an open science interdisciplinary approach

Transport accounts for 24% of global CO 2 emissions from fossil fuels. Governments face challenges in developing feasible and equitable mitigation strategies to reduce energy consumption and manage the transition to low-carbon transport systems. To meet the local and global transport emission reduction targets, policymakers need more realistic/sophisticated future projections of transport demand to better understand the speed and depth of the actions required to mitigate greenhouse gas emissions. In this paper, we argue that the lack of access to high-quality data on the current and historical travel demand and interdisciplinary research hinders transport planning and sustainable transitions toward low-carbon transport futures. We call for a greater interdisciplinary collaboration agenda across open data, data science, behaviour modelling, and policy analysis. These advancemets can reduce some of the major uncertainties and contribute to evidence-based solutions toward improving the sustainability performance of future transport systems. The paper also points to some needed efforts and directions to provide robust insights to policymakers. We provide examples of how these efforts could benefit from the International Transport Energy Modeling Open Data project and open science interdisciplinary collaborations.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS1994

Process modelling for materials preparation experiments

The main goals of the research under this grant consist of the development of mathematical tools and measurement techniques for transport properties necessary for high fidelity modelling of crystal growth from the melt and solution. Of the tasks described in detail in the original proposal, two remain to be worked on: development of a spectral code for moving boundary problems, and development of an expedient diffusivity measurement technique for concentrated and supersaturated solutions. We have focused on developing a code to solve for interface shape, heat and species transport during directional solidification. The work involved the computation of heat, mass and momentum transfer during Bridgman-Stockbarger solidification of compound semiconductors. Domain decomposition techniques and preconditioning methods were used in conjunction with Chebyshev spectral methods to accelerate convergence while retaining the high-order spectral accuracy. During the report period we have further improved our experimental setup. These improvements include: temperature control of the measurement cell to 0.1 C between 10 and 60 C; enclosure of the optical measurement path outside the ZYGO interferometer in a metal housing that is temperature controlled to the same temperature setting as the measurement cell; simultaneous dispensing and partial removal of the lower concentration (lighter) solution above the higher concentration (heavier) solution through independently motor-driven syringes; three-fold increase in data resolution by orientation of the interferometer with respect to diffusion direction; and increase of the optical path length in the solution cell to 12 mm.

Rosenberger, Franz↗

NASA NTRS1982

Turbulent transport modelling of separating and reattaching shear flows

The improvement of capabilities for computer simulation of turbulent recirculating flows was investigated. Attention has been limited to two dimensional flows and principally to statistically stationary motion. Improvement of turbulence modeling explored the treatment of the near wall sublayer and of the exterior fully turbulent region, working within the framework of turbulence closures requiring the solution of transport equations for the turbulence energy and its dissipation rate. The work on the numerical procedure, based on the Gosman-Pun program TEACH, addressed the problems of incorporating the turbulence model as well as the extension to time dependent flows, the incorporation of a third order approximation of convective transport, and the treatment of non-orthogonal boundaries.

Launder, B. E.↗

DOE OSTI2021

Ambiguities in the hadro-chemical freeze-out of Au+Au collisions at SIS18 energies and how to resolve them

The thermal fit to preliminary HADES data of Au+Au collisions at $\sqrt{s_{NN}}$=2.4 GeV shows two degenerate solutions at T≈50 MeV and T≈70 MeV. The analysis of the same particle yields in a transport simulation of the UrQMD model yields the same features, i.e. two distinct temperatures for the chemical freeze-out. While both solutions yield the same number of hadrons after resonance decays, the feeddown contribution is very different for both cases. This highlights that two systems with different chemical composition can yield the same multiplicities after resonance decays. The nature of these two minima is further investigated by studying the time-dependent particle yields and extracted thermodynamic properties of the UrQMD model. It is confirmed, that the evolution of the high temperature solution resembles cooling and expansion of a hot and dense fireball. The low temperature solution displays an unphysical evolution: heating and compression of matter with a decrease of entropy. These results imply that the thermal model analysis of systems produced in low energy nuclear collisions is ambiguous but can be interpreted by taking also the time evolution and resonance contributions into account.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗