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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Crack Growth Prediction Methodology for Multi-Site Damage: Layered Analysis and Growth During Plasticity

A finite element program has been developed to perform quasi-static, elastic-plastic crack growth simulations. The model provides a general framework for mixed-mode I/II elastic-plastic fracture analysis using small strain assumptions and plane stress, plane strain, and axisymmetric finite elements. Cracks are modeled explicitly in the mesh. As the cracks propagate, automatic remeshing algorithms delete the mesh local to the crack tip, extend the crack, and build a new mesh around the new tip. State variable mapping algorithms transfer stresses and displacements from the old mesh to the new mesh. The von Mises material model is implemented in the context of a non-linear Newton solution scheme. The fracture criterion is the critical crack tip opening displacement, and crack direction is predicted by the maximum tensile stress criterion at the crack tip. The implementation can accommodate multiple curving and interacting cracks. An additional fracture algorithm based on nodal release can be used to simulate fracture along a horizontal plane of symmetry. A core of plane strain elements can be used with the nodal release algorithm to simulate the triaxial state of stress near the crack tip. Verification and validation studies compare analysis results with experimental data and published three-dimensional analysis results. Fracture predictions using nodal release for compact tension, middle-crack tension, and multi-site damage test specimens produced accurate results for residual strength and link-up loads. Curving crack predictions using remeshing/mapping were compared with experimental data for an Arcan mixed-mode specimen. Loading angles from 0 degrees to 90 degrees were analyzed. The maximum tensile stress criterion was able to predict the crack direction and path for all loading angles in which the material failed in tension. Residual strength was also accurately predicted for these cases.

James, Mark Anthony↗
DOE OSTI2020

Investigation of Mixing Law Efficacy for Gaseous Hydrodynamic Simulations

A computational simulation of various mixing laws for gaseous equations of state using planar traveling shocks for multiple mixtures in three dimensions is analyzed against nominal experimental data. Numerical simulations utilize the Sandia National Laboratories shock hydrodynamic code CTH and other codes including the thermochemical equilibrium code TIGER and the uncertainty qualification and sensitivity analysis code DAKOTA. The mixtures are a 1:1 and a 1:3 molar mixture of helium and sulfur hexafluoride. The mixing laws to be analyzed are the ideal gas law, Amagat's Law, Dalton's Law, the BKW EOS, the EXP6 EOS, and the JCZ3 EOS. Examination of the experimental data with TIGER revealed that the shock strength should not be strong enough to turn the mixture non-ideal as the compressibility factor z was essentially unity (z ≈ 1.02). Experimental results show that none of the equations of state are able to accurately predict the properties of the shocked mixture; similar discrepancies have been observed in previous works. Kinetic molecular theory appears to introduce a parameter which offers an explanation regarding the discrepancies. Implementation of the KMT pararneter into the EOS is left for future work.

42 ENGINEERING↗
DOE OSTI2023

COMPUTATIONAL MODELING OF IGNITION AND PREMIXED FLAME PROPAGATION INITIATED BY A PRE-CHAMBER TURBULENT JET

Addressing the pressing need for reduced carbon emissions, Turbulent Jet Ignition (TJI) emerges as a promising technology for ultra-lean combustion, offering enhanced thermal efficiencies and minimized cyclic variability in spark-ignited engines. To facilitate rapid testing and integration of this technology, a robust computational modeling framework is crucial. This study delves into the predictive capabilities of computational models for main-chamber ignition and premixed flame propagation using a single-cycle TJI rig measured by Biswas et al. (Applied Thermal Engineering, vol 106, 2016). Employing an open-source compressible flow simulation solver with Large Eddy Simulation (LES) for turbulence modeling, the investigation integrates the conventional Laminar Finite Rate Chemistry (LFRC) model alongside the transported Probability Density Method (PDF) for turbulence-chemistry interaction. A fully-consistent Eulerian Monte-Carlo Fields (EMCF) method is utilized to approximate the transported PDF, while Interaction by Exchange with Mean is employed to close micro-mixing terms in stochastic differential equations. A reduced chemical reaction mechanism with 21 species and 84 reactions (DRM-19) is used for solving chemical kinetics, and a double Gaussian energy deposition model is used to approximate the spark ignition in the pre-chamber. An unstructured O-grid mesh with 0.3 million cells in the prechamber and 1 million cells in the main chamber is employed. Results are divided into two phases: pre-chamber initialization and full TJI simulations. Validation of the predicted pre-chamber flame propagation and the lean ignition in the main-chamber is carried out by using available experimental data. Under quiescent conditions, both the LFRC and transported PDF methods largely underestimate the flame speed and subsequent pressure growth in the pre-chamber. A linear momentum forcing technique is applied to investigate the impact of initial turbulence in the pre-chamber, demonstrating a notable influence on flame propagation. Fine-tuning of the forcing coefficient reproduces the sudden pressure growth observed in the experiment. The experimentally validated pre-chamber simulation serves as the initial condition for the full TJI simulations. It is found that the LFRC model fails to predict lean-ignition in the main-chamber, resulting in a misfiring event. Incorporation of turbulence-chemistry interaction using the transported PDF method substantially improves the prediction of the ignition event in the main-chamber, achieving fair qualitative agreement and quantitative validation of combustion parameters within ±10% of the reported experimental data. The rich simulation results consisting of a full set of statistical description of the thermo-chemical states enable us to gain deep insights into the ignition mechanisms in the main chamber, which is limited when done experimentally. A novel dual ignition phenomenon is revealed in the TJI rig for the first time. Initially, a primary ignition kernel is formed at a downstream location which eventually detaches from the main jet. As the jet momentum decreases, a secondary ignition event follows, this time at a more upstream location which eventually combines with the primary ignition kernel to form a single connected flame front. Investigation of these ignition sequences in chemical composition space reveal distinct differences between the two. The primary ignition event in the main-chamber is followed by a large concentration of active radicals from the pre-chamber jet, accelerating the chain-branching steps, characterizing what has been referred to as flame ignition. In contrast, the secondary ignition occurs in the absence of active radicals in the pre-chamber jet, hence characterized as jet ignition. Further analysis of the effect of pre-chamber jet characteristics on lean ignition in the main-chamber is conducted by setting up cases with different initial pressure ratios (por) between the two chambers, a non-dimensional parameter, ranging from 1.2 to 3.2. As the initial pressure ratio increases, jet momentum increases, with dual ignition observed in cases above por= 2.2. Case with por= 3.2 lead to misfiring. The effect of ignition sequence on global combustion characteristics of TJI is analyzed. Dual ignition events lead to non-monotonicity in combustion characteristics such as global reaction progress variable, flame penetration, and global heat release rate. In dual ignition events, although the rate of fuel consumption and global heat release rate is initially lower, the secondary ignition leads to a sudden increase in flame surface area, resulting in a sudden jump and promoting the overall performance of the TJI system.

42 ENGINEERING↗
NASA NTRS1978

A theoretical study of a laminar diffusion flame

Theoretical models of an axisymmetric laminar diffusion flame are discussed, with an emphasis on the behavior of such flames at increasing pressures. The flame-sheet or Burke-Schumann model (in terms of Bessel functions) and various boundary layer numerical solutions are presented and their results compared with experimental data. The most promising theoretical model combines the numerical flow field solution of the Patankar-Spalding computer code with the Pratt-Wormeck chemical reaction subroutine. The flame shapes for pressures of 1, 5, 10, 20, and 50 atmospheres were computed and agree remarkably well with experimental data. There is a noticeable shape change with pressure, believed to be a result of buoyancy effects. The chemical concentration profiles do not exhibit much dependence on pressure, a reflection of the fact that only one chemical mechanism was utilized at all pressures.

Frair, K. L.↗
NASA NTRS1983

Experimental investigation of leading-edge thrust at supersonic speeds

Wings, designed for leading edge thrust at supersonic speeds, were investigated in the Unitary Plan Wind Tunnel at Mach numbers of 1.60, 1.80, 2.00, 2.16, and 2.36. Experimental data were obtained on a uncambered wing which had three interchangeable leading edges that varied from sharp to blunt. The leading edge thrust concept was evaluated. Results from the investigation showed that leading edge flow separation characteristics of all wings tested agree well with theoretical predictions. The experimental data showed that significant changes in wing leading edge bluntness did not affect the zero lift drag of the uncambered wings.

Wood, R. M.↗
NASA NTRS1991

The control of flexible structure vibrations using a cantilevered adaptive truss

Analytical and experimental procedures and design tools are presented for the control of flexible structure vibrations using a cantilevered adaptive truss. Simulated and experimental data are examined for three types of structures: a slender beam, a single curved beam, and two curved beams. The adaptive truss is shown to produce a 6,000-percent increase in damping, demonstrating its potential in vibration control. Good agreement is obtained between the simulated and experimental data, thus validating the modeling methods.

Wynn, Robert H., Jr.↗
NASA NTRSDate not supplied

Improvements in Simulating a Mach 0.80 Transonic Truss-Braced Wing Configuration using the Spalart-Allmaras and k-ω SST Turbulence

Teams from the NASA Ames Research Centers (ARC) and Langley Research Center (LaRC) have been working on validating their computational fluid dynamics (CFD) results for the Boeing Mach 0.80 Transonic Truss-Braced Wing (TTBW) configuration. Experimental data used for the validation were gathered from a test conducted of a 4.5% scale Mach 0.80 TTBW model in the NASA Ames Research Center 11-by 11-Foot Transonic Wind Tunnel. The CFD simulations were initially run with both LAVA and USM3D Mixed Element solvers utilizing the Spalart-Allmaras (SA) turbulence model. A discrepancy was observed between CFD and experimental loads and moments ranging on average from 0.047 to 0.063 for lift coefficient, 16.5 to 27 in drag counts, and -0.02 to -0.032 for pitching moment, varying with the solver used. With introducing the refactored version of LAVA these values dropped to 0.034 to 0.047 for lift coefficient, 7.74 to 16.5 in drag counts, and lastly -0.012 to -0.02 for pitching moment. Based on findings from Boeing, who observed an improved comparison to experimental data when using the k-ω Shear Stress Transport (SST) turbulence model, the NASA teams conducted simulations with SST to investigate turbulence modeling sensitivities. OVERFLOW and USM3D V6 solvers were used for the comparison of SST and SA simulations. CFD results using the SST turbulence model demonstrate an improvement in matching with experimental CL values, reducing the discrepancies seen by 0.021-0.055 (62-93% reduction in discrepancy respective to the OVERFLOW and USM3D V6). The SST model has varying effects on CD, based on the solver / grid paradigm; for USM3D this prediction is only improved at higher angles of attack (above the cruise design point) resulting in a reduced discrepancy of 8.8–25 drag counts However, at the mid-to-low angles of attack, SST increases the CD discrepancy by 4-55 counts, increasing at lower angles of attack. For OVERFLOW this discrepancy only exists at the low angles of attack and maxes out at 10 counts of drag. Above α = 1.5° OVERFLOW SST reduces discrepancy by 9.3 drag counts on average.

AATT↗
DOE OSTI2025

Modeling Pb(II) Adsorption on Mineral Surfaces: Bridging Density Functional Theory and Experiment with Thermodynamic Insights

Despite decades of work on aqueous lead (Pb) adsorption on a-Fe2O3 (hematite) and a-Al2O3 (alumina), gaps between measurements and modeling obscure molecular-level understanding. Achieving well-matched geometries between theory and experimental for mineral-water interfaces is a hurdle, as surface functional group type and distribution must be accounted for in determining mechanisms. Additionally, computational methods that can describe the substrate are often not appropriate to capture aqueous effects. Progress requires focusing on well-studied and relevant systems, such as key facets (001),(012), and (110) of hematite and alumina, and ubiquitous contaminants such as aqueous Pb. In the past, bulk-parametrized bond-valence principles were used to rationalize Pb(II) adsorption trends. These approaches can break down at surfaces, where flexible bonding environments and adsorption-induced surface relaxations play a critical role. Here, we adapt and apply a density functional theory (DFT) and thermodynamics framework, integrating DFT-calculated energies with experimental data and electrochemical principles, to predict Pb(II) adsorption. Our model results capture trends across the full set of surfaces and predict that inner-sphere Pb(II) sorption on (001) alumina varies from unfavorable to weakly favorable across a range of pH conditions. This aligns with experiment insights that Pb(II) interacts at that surface through outer-sphere interactions. Extending to Fe(II) adsorption, we demonstrate a coverage-dependent site preference, potentially explaining disorder in overlayers grown by the oxidative adsorption of Fe(II) on hematite (001).

lead contamination↗
NASA NTRS1998

The Numerical Investigation of a Dual-Mode Scramjet Combustor

A numerical investigation of a multiple-jet array dual-mode scramjet combustor has been performed utilizing a three-dimensional Navier-Stokes code with finite-rate chemistry. Results indicate substantial upstream interaction in the form of an oblique shock/expansion train upstream of the combustor, culminating in completely subsonic flow in the vicinity of fuel injectors. The flow returns to supersonic velocities in the downstream (diverging) portion of the combustor. Mixing and combustion are rapid in this flow and predicted combustion efficiency closely matches experimental data. However, comparisons of wall pressure between the simulation and the experiment show i) substantial underprediction of the upstream interaction distance and ii) moderate overprediction of peak pressure in the vicinity of the entrance of the combustor. This can be at least partially explained by examination of available experimental data; this data shows a very significant movement of the entering vitiated airflow to the sides of the combustor (around the injector array and the upstream interaction front as a whole). This important effect is currently being examined by an extension of the modeling to include the entire half-duct of the same combustor geometry.

Riggins, David↗
NASA NTRS1999

Experimental Investigation of a Point Design Optimized Arrow Wing HSCT Configuration

The M2.4-7A Arrow Wing HSCT configuration was optimized for straight and level cruise at a Mach number of 2.4 and a lift coefficient of 0.10. A quasi-Newton optimization scheme maximized the lift-to-drag ratio (by minimizing drag-to-lift) using Euler solutions from FL067 to estimate the lift and drag forces. A 1.675% wind-tunnel model of the Opt5 HSCT configuration was built to validate the design methodology. Experimental data gathered at the NASA Langley Unitary Plan Wind Tunnel (UPWT) section #2 facility verified CFL3D Euler and Navier-Stokes predictions of the Opt5 performance at the design point. In turn, CFL3D confirmed the improvement in the lift-to-drag ratio obtained during the optimization, thus validating the design procedure. A data base at off-design conditions was obtained during three wind-tunnel tests. The entry into NASA Langley UPWT section #2 obtained data at a free stream Mach number, M(sub infinity), of 2.55 as well as the design Mach number, M(sub infinity)=2.4. Data from a Mach number range of 1.8 to 2.4 was taken at UPWT section #1. Transonic and low supersonic Mach numbers, M(sub infinity)=0.6 to 1.2, was gathered at the NASA Langley 16 ft. Transonic Wind Tunnel (TWT). In addition to good agreement between CFD and experimental data, highlights from the wind-tunnel tests include a trip dot study suggesting a linear relationship between trip dot drag and Mach number, an aeroelastic study that measured the outboard wing deflection and twist, and a flap scheduling study that identifies the possibility of only one leading-edge and trailing-edge flap setting for transonic cruise and another for low supersonic acceleration.

Narducci, Robert P.↗
NASA NTRS2014

Unsteady Aerodynamic Validation Experiences From the Aeroelastic Prediction Workshop

The AIAA Aeroelastic Prediction Workshop (AePW) was held in April 2012, bringing together communities of aeroelasticians, computational fluid dynamicists and experimentalists. The extended objective was to assess the state of the art in computational aeroelastic methods as practical tools for the prediction of static and dynamic aeroelastic phenomena. As a step in this process, workshop participants analyzed unsteady aerodynamic and weakly-coupled aeroelastic cases. Forced oscillation and unforced system experiments and computations have been compared for three configurations. This paper emphasizes interpretation of the experimental data, computational results and their comparisons from the perspective of validation of unsteady system predictions. The issues examined in detail are variability introduced by input choices for the computations, post-processing, and static aeroelastic modeling. The final issue addressed is interpreting unsteady information that is present in experimental data that is assumed to be steady, and the resulting consequences on the comparison data sets.

Heeg, Jennifer↗
DOE OSTI2022

Development of a high fidelity model of the CROCUS experimental reactor

Measurements of scalar flux distributions with fine spatial and energy resolutions are needed to remedy one of the validation shortcomings of the novel neutronics full core solvers, such as MPACT and nTRACER. While a very detailed resolution of the flux can be calculated with such codes, only a limited experimental data set is available to check their accuracy. Such type of measurements are on-going at the zero power reactor CROCUS, operated at the Laboratory for Reactor Physics and System Behaviours of the EPFL, thanks to the development of advanced miniature neutron detection systems. This kind of experimental data would provide the community with a suitable benchmark for the validation of high fidelity neutronics solvers. In parallel, a multi-physics solver for steady-state and transient analysis of nuclear reactors, named GeN-Foam, has been developed. Based on the finite-volume OpenFOAM library, GeN-Foam provides us with enough flexibility to analyze non-conventional reactor geometries such as that of CROCUS. While CROCUS heterogeneities cannot be modeled by MPACT and nTRACER for the moment, GeN-Foam offers a unique opportunity to build a high fidelity model which mimics these codes' method to reach sub-pin simulation resolution. This document aims at describing the work achieved to get from the existing GeN-Foam model of the CROCUS reactor based on a structured mesh and using the neutron diffusion, the first high-fidelity model using discrete ordinates method as an approximation to neutron transport and an unstructured mesh for inter lattice water gap description and sub-pin heterogeneous modeling. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Dynamics of deuterium retention and desorption from plasma-facing materials in fusion reactor-relevant conditions

Hydrogen isotopes retention and desorption during and after discharges in fusion devices are still not well understood due to the complex device conditions and limitations of in-situ diagnostics and measurements. Here, we simulated well-diagnosed recent experiments at the DIII-D facility to benchmark our ITMC-DYN integrated package of modeling deuterium diffusion, retention, and desorption during and after D discharge irradiation. Modeling results were compared with detail experimental data of D desorption fluxes for various irradiation conditions. We predicted the temporal evolution of free and trapped D distribution in tungsten (W) plasma-facing material (PFM). Effects of key parameters namely diffusion coefficient, recombination rate, trapping energies against different defect types, were examined in these simulations. Existing experimental data of these parameters in literature varies significantly which makes it harder to identify key mechanisms and physics responsible for hydrogen isotope retention and desorption. The purpose of this work is to accurately simulate recent well-diagnosed reactor experiments given the uncertainties in such parameters and identify mechanisms responsible for the retention and desorption. We implemented the best identified diffusion, recombination, and trapping parameters in ITMC-DYN package that integrate both various collisional and thermal processes. We predicted, for example, that sample cooling between discharges in DIII-D operations can significantly affect the spatial distribution of trapped D in W under reactor irradiation conditions. Correct prediction of desorption spectra from samples irradiated during 10 DIII-D discharges showed that up to 35% of D can be retained in high binding energy defects such as vacancy clusters or voids.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Tailoring critical Al concentration to form external Al 2 O 3 scale on Ni–Al alloys by computational approach

Abstract Nickel (Ni)‐based superalloys for high‐temperature applications are often designed to form a continuous and slow‐growing oxide scale by adding Al and Cr and other beneficial elements. In the present work, the critical Al concentration in Ni–Al alloys needed to establish an α‐Al 2 O 3 scale in contrast to internal oxide formation is predicted as a function of temperature by means of the CALPHAD approach coupled with models in the literature, which account for the thermodynamics and kinetics of oxidation. The present thermodynamic remodeling of the Ni–O system results in a better agreement with experimental data of oxygen solubility in Ni at high temperatures. The oxygen solubility is combined with kinetic parameters to determine oxygen permeability in Ni, and the critical Al concentration needed to establish an α‐Al 2 O 3 scale at a given exposure temperature. Good agreement is found with available experimental data for both oxygen permeability and critical Al concentration, indicating the capacity of the CALPHAD approach to tailor oxidation resistance for materials of interest using thermodynamic and kinetic knowledge.

Ross, Austin↗
NASA NTRS1993

Comparisons of cross-section predictions for relativistic iron and argon beams with semiempirical fragmentation models

Cross-section predictions with semi-empirical nuclear fragmentation models from the Langley Research Center and the Naval Research Laboratory are compared with experimental data for the breakup of relativistic iron and argon projectile nuclei in various targets. Both these models are commonly used to provide fragmentation cross-section inputs into galactic cosmic ray transport codes for shielding and exposure analyses. Overall, the Langley model appears to yield better agreement with the experimental data.

Townsend, Lawrence W.↗
NASA NTRS1999

Crashworthy Evaluation of a 1/5-Scale Model Composite Fuselage Concept

A 1/5-scale model composite fuselage concept for light aircraft and rotorcraft has been developed to satisfy structural and flight loads requirements and to satisfy design goals for improved crashworthiness. The 1/5-scale model fuselage consists of a relatively rigid upper section which forms the passenger cabin, a stiff structural floor, and an energy absorbing subfloor which is designed to limit impact forces during a crash event. The focus of the present paper is to describe the crashworthy evaluation of the fuselage concept through impact testing and finite element simulation using the nonlinear, explicit transient dynamic code, MSC/DYTRAN. The energy absorption behavior of two different subfloor configurations was determined through quasi-static crushing tests. For the dynamic evaluation, each subfloor configuration was incorporated into a 1/5-scale model fuselage section, which was impacted at 31 ft/s vertical velocity onto a rigid surface. The experimental data demonstrate that the fuselage section with a foam-filled subfloor configuration satisfied the impact design requirement. In addition, the fuselage section maintained excellent energy absorption behavior for a 31 ft/s vertical drop test with a 15 deg-roll impact attitude. Good correlation was obtained between the experimental data and analytical results for both impact conditions.

Jackson, Karen E.↗
NASA NTRS2009

Simulation of an Isolated Tiltrotor in Hover with an Unstructured Overset-Grid RANS Solver

An unstructured overset-grid Reynolds Averaged Navier-Stokes (RANS) solver, FUN3D, is used to simulate an isolated tiltrotor in hover. An overview of the computational method is presented as well as the details of the overset-grid systems. Steady-state computations within a noninertial reference frame define the performance trends of the rotor across a range of the experimental collective settings. Results are presented to show the effects of off-body grid refinement and blade grid refinement. The computed performance and blade loading trends show good agreement with experimental results and previously published structured overset-grid computations. Off-body flow features indicate a significant improvement in the resolution of the first perpendicular blade vortex interaction with background grid refinement across the collective range. Considering experimental data uncertainty and effects of transition, the prediction of figure of merit on the baseline and refined grid is reasonable at the higher collective range- within 3 percent of the measured values. At the lower collective settings, the computed figure of merit is approximately 6 percent lower than the experimental data. A comparison of steady and unsteady results show that with temporal refinement, the dynamic results closely match the steady-state noninertial results which gives confidence in the accuracy of the dynamic overset-grid approach.

Lee-Rausch, Elizabeth M.↗
DOE OSTI2022

Determination of Molecular Structure and Dynamics of Molten Salts by Advanced Neutron and X-ray Scattering Measurements and Computer Modeling

The design and development of fully functional Molten-Salt Reactors (MSR) require detailed knowledge of the molten salt properties in order to understand and predict the salt’s behavior. Fundamental properties of interest include molecular structure, speciation, and dynamics (such as diffusion coefficients) of salt components and dissolved corrosion and fission products. Computer modeling is necessary to predict changes in physical and chemical properties due to irradiation, burning of dissolved fuel, and corrosion. The modeling requires experimental data, and advanced neutron and x-ray scattering and spectroscopy provide the most reliable and direct determination of the structure (Pair-Distribution Functions, PDF), and dynamics of ions in the melt. This project dealt with both fluoride and chloride salts. The PDFs have been measured by a combination of neutron and x-ray diffraction. We utilized the techniques of isotope substitutions, a very powerful tool available for neutron-scattering, to extract the details of the liquid structure. Although similar measurements have been done before, modern advanced neutron and x-ray-scattering techniques allow collecting the data at much higher resolution and in a wider range of temperatures. Importantly, we were among the first to study fluoride salts by neutron scattering. The importance of impurities and their effects on salt properties have become apparent recently and so new methods of salt purification were developed. We took advantage of these developments to produce reliable data, which have been used for computer simulations of both clean salts and those with added fission and corrosion products most relevant for MSRs. Ab initio molecular dynamics simulations have been performed to understand the multi-component liquid solution, in particular solubility of impurities and thermodynamic interactions in relation to the ionic-cluster structure of the fluid. We applied machine learning to regress from the simulation and experimental data in order to develop a fast-acting model that can handle molten salt with an arbitrary (≥ 10) number of chemical elements and be able to predict chemical potential as a function of composition and temperature. This project resulted in a number of experimental and computer-simulation publications, a patent application, and numerous conference presentations (American Physical Society, American Chemical Society, and The Electrochemical Society among others). Multiple students and postdocs participated and collaborated on aspects of this project. This project seeded new collaborations between MIT and other institutions, such as the University of Massachusetts Lowell, the University of Illinois Urbana-Champaign, the University of California Berkeley, and Oak Ridge and Los Alamos National Labs. As such, this project has had a broad and lasting impact beyond its original scientific scope.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗