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DOE OSTI2026

A filter-dependent granular temperature model from large-scale CFD-DEM data

The computational study of strongly-coupled, gas–solid flows at scales relevant to most environmental and engineering applications requires the use of ‘coarse-grained’ methodologies such as the two-fluid model, particle-in-cell approach or the multiphase Reynolds Averaged Navier–Stokes equations. While these strategies enable computations at desirable length- and time-scales, they rely heavily on models to capture important flow physics that occur at scales smaller than the mesh. To date, the models that do exist are based on a limited set of flow conditions, such as very dilute particle phase. To this end, we leverage a large-scale repository of CFD-DEM data to develop filter-size dependent models for the mean variance in particle volume fraction, a quantity commonly used to assess the degree of clustering, and the granular temperature, a key quantity for accurately predicting gas–solid flows. In conclusion, because of its filter-size dependence, the granular temperature model can be directly translated to coarse-grained approaches and tied directly to grid size.

AMReX↗

DOE OSTI2025

2025 Advances in NekRS: Supporting improved performance for nuclear applications

This report presents several 2025 advancements in NekRS, a high-fidelity spectral element CFD code developed at Argonne National Laboratory to support the NEAMS thermal-hydraulics program. The forthcoming v25 release consolidates several of these advances, adding new features for portability across heterogeneous GPU architectures, real-time in situ visualization, improved turbulence modeling, and conjugate heat transfer coupling. Over the past year, NekRS has demonstrated strong scalability and performance on DOE’s leading exascale platforms, including Aurora and Frontier, confirming its readiness for some of the largest and most complex simulations attempted to date. These achievements provide a powerful new platform for high-fidelity data generation, which in turn supports the development and validation of advanced closure models critical for reactor safety and design. Significant algorithmic innovations have also been introduced. A new global runtime h-refinement capability simplifies workflows by reducing mesh preparation burdens and enabling coarse-to-fine restarts. Building on this, a novel multigrid strategy was implemented to accelerate pressure and transport solves at scale, addressing long-standing bottlenecks in exascale CFD. Together, these developments improve both the efficiency and accessibility of high-fidelity simulations for reactor-relevant problems. Collectively, these enhancements represent a major step forward in simulation technology, positioning NekRS as a cornerstone of NEAMS efforts to enable accurate, efficient, and scalable high-fidelity analysis of advanced nuclear systems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRSDate not supplied

Dust Particle Aeroheating Calculations for Mars Entry Hypersonic Flows

The purpose of the current research effort is to predict particle trajectories in a hypersonic flowfield while accounting for all relevant particle-fluid and particle-particle interactions. The resulting particle solver is titled DUst Simulation & Tracking (DUST) and works in conjunction with the US3D CFD flow solver. The key elements underpinning the current work are an efficient mesh-localiztion algorithm, time-driven hard-sphere model, point-to-point MPI framework, coarse-graining using computational parcels, and high-order Adams-Bashforth time stepping. The coupled US3D-DUST framework will be applied to conduct a multi-physics examination of dust-laden flows around the the Schiarparelli capsule.

Dusty Flows↗

NASA NTRSDate not supplied

Dust Particle Aeroheating Calculations for Mars Entry Hypersonic Flows

Dusty Flows↗

DOE OSTI2025

An open-source hybrid unstructured mesh - CAD fusion multiphysics analysis workflow in SALAMANDER

Plasma facing components in fusion devices will endure extreme neutron and heat fluxes. To facilitate their design using simulation tools, the open-source Fusion Module, Fusion ENergy Integrated multiphys-X (FENIX) framework is being developed to model these components with a high-fidelity multi-physics multi-dimensional approach. It can iteratively resolve couplings between all the physics at play, from neutron radiation, to thermomechanics, to near-wall plasma dynamics. This framework is based on the Multiphysics Object Oriented Simulation Environment (MOOSE), which is developed by a collaboration of US National Laboratories since 2008, for advanced nuclear, geomechanics simulations and other applications. FENIX couples numerous simulation tools, including OpenMC, the Tritium Migration Analysis Program v8, the NekRS CFD software, and most MOOSE modules. For the coupling of radiation transport and other physics, FENIX supports a hybrid workflow between Computer Assisted Design (CAD) and unstructured mesh geometries. The CAD can be generated from skinning the unstructured mesh, to enable a coarse geometry for efficient particle transport, but still resolving the local material compositions and temperature gradients. Neutron transport is performed using DAGMC on the CAD, and Cardinal, integrated in FENIX, maps tallied quantities, such as the heat deposition or the tritium generation rates, from a tally volumetric mesh to the other physics’ unstructured mesh. This coupling was exercised on a simplified tokamak geometry, coupling neutron transport with the heat conduction equation, and on a monoblock divertor problem, coupling additionally with tritium migration. Mesh convergence studies highlight the importance of the mapping conservativeness. Coupling with thermo-mechanics is further enabled by the generalization of the approach to moving meshes. The presentation will include these coupled analysis as well as an update on status of the FENIX framework.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1992

Cartesian based grid generation/adaptive mesh refinement

Grid adaptation has recently received attention in the computational fluid dynamics (CFD) community as a means to capture the salient features of a flowfield by either moving grid points of a structured or by adding cells in an unstructured manner. An approach based on a background cartesian mesh is investigated from which the geometry is 'cut' out of the mesh. Once the mesh is obtained, a solution on this coarse grid is found, that indicates which cells need to be refined. This process of refining/solving continues until the flow is grid refined in terms of a user specified global parameter (such as drag coefficient etc.). The advantages of this approach are twofold: the generation of the base grid is independent of the topology of the bodies or surfaces around/through which the flow is to be computed, and the resulting grid (in uncut regions) is highly isotropic, so that the truncation error is low. The flow solver (which, along with the grid generation is still under development) uses a completely unstructured data base, and is a finite volume, upwinding scheme. Current and future work will address generating Navier-Stokes suitable grids by using locally aligned and normal face/cell refining. The attached plot shows a simple grid about two turbine blades.

Coirier, William J.↗

DOE OSTI2019

Numerical Analysis of Detonability Assessment in a Natural Gas-Air Fueled Rotating Detonation Engine

Rotating Detonation Engines (RDE) offer an alternative combustion strategy to replace conventional constant pressure combustion with a process that could produce a pressure gain without the use of a mechanical compressor. Recent numerical and experimental publications that consider air as the oxidizer have primarily focused on the ability of these annular combustors to sustain a stable continuous detonation wave when fueled by hydrogen. However, for this to be a viable consideration for the land-based power generation it is necessary to explore the ability to detonate natural gas and air within the confines of the annular geometry of an RDE. Previous studies on confined detonations have expressed the importance of permitting detonation cells to fully form within the combustor in order to achieve stability. This poses a challenge for natural gas–air fueled processes as their detonation cell size can be quite large even at moderate pressures. Despite the practical importance, only a few studies are available on natural gas detonations for air-breathing RDE applications. Moreover, the extreme thermodynamic condition (high temperature inside the combustor) allows limited accessibility inside the combustor for detailed experimental instrumentations, providing mostly single-point data. Recent experimental studies at the National Energy Technology Laboratory (NETL) have reported detonation failure at higher methane concentration in an air-breathing RDE fueled by natural gas-hydrogen fuel blends. This encourages to perform a detailed numerical investigation on the wave characteristics of detonation in a natural gas-air fueled RDE to understand the various aspects of instability associated with the natural gas-air detonation.This study is a numerical consideration of a methane-air fueled RDE with varying operating conditions to ascertain the ability to achieve a stable, continuous detonation wave. The simulations have been performed in a 2D unwrapped RDE geometry using the open-source CFD library “OpenFOAM” employing an unsteady pressure-based compressible reactive flow solver with a <em>k</em>–<em>ε</em> turbulence model in a structured rectangular grid system. Both reduced and detailed chemical kinetic models have been used to assess the effect of the chemistry on the detonation wave characteristics and the underlying flow features. A systematic grid sensitivity study has been conducted with various grid sizes to quantify the weakly stable overdriven detonation on a coarse mesh and oscillating features at fine mesh resolutions.The main focus of the current study is to investigate the effects of operating injection pressure on detonation wave characteristics of an air-breathing Rotating Detonation Engine (RDE) fueled with natural gas-hydrogen fuel blends. Wave speeds, peak pressures and temperatures, and dominant frequencies have been computed from the time histories. The flow structures were then visualized using 2D contours of temperature and species concentration.

Saha, Pankaj↗

DOE OSTI2020

Multiphysics Coupling of PROTEUS-NODAL and SAM for Molten Salt Reactor Simulation

The purpose of this report is to document the new features and capabilities that have been implemented in the PROTEUS-NODAL code and the coupling procedure of PROTEUS-NODAL with SAM to analyze MSRs. This report is organized as follows. Section 2 presents the variational nodal P 1 solver for cylindrical geometries and its verification test results. Section 3 discusses the transient analysis capability implemented in the P 1 solvers of PROTEUS-NODAL. The solution methods for the coupled system of TFSP and precursor drift equations, the coarse mesh finite difference (CMFD) acceleration, the kinetics parameter evaluation method, and the thermal feedback are discussed. The verification test results against the SP 3 solutions are also discussed. Section 4 describes the coupling scheme of PROTEUS-NODAL and SAM under the MOOSE framework for MSR applications. The developed MOOSE applications named “TreeFrog” and “TreeKangaroo” are discussed. Verification test results for the coupled system are also discussed by comparing the MSFR steady state solution with that obtained from a manually coupled PROTEUS-NODAL and ANSYS CFX computational fluid dynamics (CFD) calculations and the MSFR transient analysis results with the open literature solutions and the PROTEUS-NODAL solutions obtained with the standalone thermal-hydraulics solver. Section 5 provides conclusions and future works.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRSDate not supplied

Anisotropic Goal-Based Mesh Adaptation Metric Clarification and Development

Adaptive unstructured mesh techniques have a limited, but growing impact on production analysis workflows to control discretization error for reliable simulation results. Multiple independent implementations of flow solvers, anisotropic metric construction methods, and anisotropic mesh adaptation mechanics have matured. Goal-based metrics target estimated error in output functions, such as lift and drag, through the guidance of an adjoint solution. A unification of goal-based anisotropic metrics is presented for steady viscous flows, which is an active area of research. These goal-based metrics drive robust and efficient anisotropic mesh adaptation for the calculation of output functions. The super-convergent functional output error behavior of stabilized finite-element methods is exploited without a formal proof, and evidence of super-convergence is shown in numerical experiments. Mesh adapted drag and lift outputs for two simple bodies in compressible viscous flow show convergence of error to less than a single drag count. Asymptotic behavior established for relatively coarse meshes shows the efficiency of this goal-based metric when compared to solution interpolation error control and expert-guided meshing. Anisotropic mesh adaptation techniques are applied to a transport aircraft in a high-lift configuration where variation between approaches decreases with mesh refinement, but asymptotic behavior is not observed with available resources.

goal-based↗

NASA NTRS2006

Software for Automated Generation of Cartesian Meshes

Cart3D is a collection of computer programs for generating Cartesian meshes [for computational fluid dynamics (CFD) and other applications] in volumes bounded by solid objects. Aspects of Cart3D at earlier stages of development were reported in "Robust and Efficient Generation of Cartesian Meshes for CFD" (ARC-14275), NASA Tech Briefs, Vol. 23, No. 8 (August 1999), page 30. The geometric input to Cart3D comprises surface triangulations like those commonly generated by computer-aided-design programs. Complexly shaped objects can be represented as assemblies of simpler ones. Cart3D deletes all portions of such an assembled object that are not on the exterior surface. Intersections between components are preserved in the resulting triangulation. A tie-breaking routine unambiguously resolves geometric degeneracies. Then taking the intersected surface triangulation as input, the volume mesh is generated through division of cells of an initially coarse hexahedral grid. Cells are subdivided to refine the grid in regions of increased surface curvature and/or increased flow gradients. Cells that become split into multiple unconnected regions by thin pieces of surface are identified.

Aftosmis, Michael J.↗

NASA NTRS1996

LES on unstructured deforming meshes: Towards reciprocating IC engines

A variable explicit/implicit characteristics-based advection scheme that is second-order accurate in space and time has been developed recently for unstructured deforming meshes (O'Rourke & Sahota 1996a). To explore the suitability of this methodology for Large-Eddy Simulation (LES), three subgrid-scale turbulence models have been implemented in the CHAD CFD code (O'Rourke & Sahota 1996b): a constant-coefficient Smagorinsky model, a dynamic Smagorinsky model for flows having one or more directions of statistical homogeneity, and a Lagrangian dynamic Smagorinsky model for flows having no spatial or temporal homogeneity (Meneveau et al. 1996). Computations have been made for three canonical flows, progressing towards the intended application of in-cylinder flow in a reciprocating engine. Grid sizes were selected to be comparable to the coarsest meshes used in earlier spectral LES studies. Quantitative results are reported for decaying homogeneous isotropic turbulence, and for a planar channel flow. Computations are compared to experimental measurements, to Direct-Numerical Simulation (DNS) data, and to Rapid-Distortion Theory (RDT) where appropriate. Generally satisfactory evolution of first and second moments is found on these coarse meshes; deviations are attributed to insufficient mesh resolution. Issues include mesh resolution and computational requirements for a specified level of accuracy, analytic characterization of the filtering implied by the numerical method, wall treatment, and inflow boundary conditions. To resolve these issues, finer-mesh simulations and computations of a simplified axisymmetric reciprocating piston-cylinder assembly are in progress.

Haworth, D. C.↗

NASA NTRSDate not supplied

RDE Nozzle Computational Design Methodology Development and Application

The Open National Combustion Code (OpenNCC) is used to simulate the aerospike exhaust nozzle region of a rotating detonation engine (RDE).The main objectives of the current study are twofold. The first goal is to validate the proposed computational methodology using the experimental data. The second goal is to demonstrate how the validated prediction tool can be used to optimize the nozzle geometry. To achieve a significant speed-up of computational time, the computational domain in divided into two parts: a combustion region and a throat-nozzle section. In the combustion region, a validated quasi-two-dimensional in-house code is utilized to generate an unsteady RDE flow field solution just upstream of the combustor throat. Subsequently, the unsteady flow data is fed into the three-dimensional throat-nozzle section as the inflow boundary condition. This facilitates the design optimization process since the unsteady inflow can be reused, and a relatively coarse mesh (i.e., larger time-step) can be used to analyze the flow fields around the nozzle. Five nozzle designs were studied and the predicted performance (i.e., thrust)compared. The optimized nozzle was found to produce 3.2% more overall thrust than a baseline nozzle design. Without the nozzle, there is a large low-pressure region at the throat exit, which significantly reduces the overall performance. This methodology is shown to be a promising approach to explore a wide variety of nozzle geometries in a relatively short amount of time.

CFD↗

NASA NTRS2010

Summary of the Fourth AIAA CFD Drag Prediction Workshop

Results from the Fourth AIAA Drag Prediction Workshop (DPW-IV) are summarized. The workshop focused on the prediction of both absolute and differential drag levels for wing-body and wing-body-horizontal-tail configurations that are representative of transonic transport air- craft. Numerical calculations are performed using industry-relevant test cases that include lift- specific flight conditions, trimmed drag polars, downwash variations, dragrises and Reynolds- number effects. Drag, lift and pitching moment predictions from numerous Reynolds-Averaged Navier-Stokes computational fluid dynamics methods are presented. Solutions are performed on structured, unstructured and hybrid grid systems. The structured-grid sets include point- matched multi-block meshes and over-set grid systems. The unstructured and hybrid grid sets are comprised of tetrahedral, pyramid, prismatic, and hexahedral elements. Effort is made to provide a high-quality and parametrically consistent family of grids for each grid type about each configuration under study. The wing-body-horizontal families are comprised of a coarse, medium and fine grid; an optional extra-fine grid augments several of the grid families. These mesh sequences are utilized to determine asymptotic grid-convergence characteristics of the solution sets, and to estimate grid-converged absolute drag levels of the wing-body-horizontal configuration using Richardson extrapolation.

Vassberg, John C.↗

NASA NTRS2008

Output-Adaptive Tetrahedral Cut-Cell Validation for Sonic Boom Prediction

A cut-cell approach to Computational Fluid Dynamics (CFD) that utilizes the median dual of a tetrahedral background grid is described. The discrete adjoint is also calculated, which permits adaptation based on improving the calculation of a specified output (off-body pressure signature) in supersonic inviscid flow. These predicted signatures are compared to wind tunnel measurements on and off the configuration centerline 10 body lengths below the model to validate the method for sonic boom prediction. Accurate mid-field sonic boom pressure signatures are calculated with the Euler equations without the use of hybrid grid or signature propagation methods. Highly-refined, shock-aligned anisotropic grids were produced by this method from coarse isotropic grids created without prior knowledge of shock locations. A heuristic reconstruction limiter provided stable flow and adjoint solution schemes while producing similar signatures to Barth-Jespersen and Venkatakrishnan limiters. The use of cut-cells with an output-based adaptive scheme completely automated this accurate prediction capability after a triangular mesh is generated for the cut surface. This automation drastically reduces the manual intervention required by existing methods.

Park, Michael A.↗

DOE OSTI2022

Transient simulation of biomass combustion in a circulating fluidized bed riser

Interest in circulating fluidized bed (CFB) boilers as a power generation technology has sky-rocketed in recent years because of several advantages this technology offers over conventional boilers, such as increased gas-solid mixing, which results in higher combustion efficiency and the ability to use lower rank fuels. CFB combustors are operated at lower temperatures than conventional thermal power generation combustors, thus reducing NO x emissions, while SO 2 emissions can be conveniently controlled through the addition of Ca-based sulfur sorbents within the combustor. Herin this paper summarizes the modeling effort on a 50 kW th CFB combustor designed, built, and operated at CanmetENERGY in Ottawa, Canada. The numerical model employs the multiphase particle-in-cell (PIC) approach in the open-source Multiphase Flow with Interphase eXchanges (MFiX) Software Suite. The MFiX-PIC model parameters for the simulation are tuned against cold-flow experiments from CanmetENERGY using olivine sand as the inert bed material. It is shown that for the relatively coarse fluid meshes and large parcel sizes necessitated by the scale of the simulation, filter size dependent corrections to the drag law must be incorporated to ensure accuracy of the simulation results. The validated cold flow model is extended to simulate reacting flow with torrefied hardwood as the feedstock and to validate the combustion reaction scheme. The species concentrations at the riser outlet are compared against CanmetENERGY’s experiments and show satisfactory agreement. The simulations demonstrate the ability of MFiX-PIC to accurately capture both the physics and chemistry of a CFB combustor at bench scales, which can be further extended to pilot- and industrial-scale systems.

09 BIOMASS FUELS↗

NASA NTRS2007

Summary of the Third AIAA CFD Drag Prediction Workshop

The workshop focused on the prediction of both absolute and differential drag levels for wing-body and wing-al;one configurations of that are representative of transonic transport aircraft. The baseline DLR-F6 wing-body geometry, previously utilized in DPW-II, is also augmented with a side-body fairing to help reduce the complexity of the flow physics in the wing-body juncture region. In addition, two new wing-alone geometries have been developed for the DPW-II. Numerical calculations are performed using industry-relevant test cases that include lift-specific and fixed-alpha flight conditions, as well as full drag polars. Drag, lift, and pitching moment predictions from previous Reynolds-Averaged Navier-Stokes computational fluid Dynamics Methods are presented, focused on fully-turbulent flows. Solutions are performed on structured, unstructured, and hybrid grid systems. The structured grid sets include point-matched multi-block meshes and over-set grid systems. The unstructured and hybrid grid sets are comprised of tetrahedral, pyramid, and prismatic elements. Effort was made to provide a high-quality and parametrically consistent family of grids for each grid type about each configuration under study. The wing-body families are comprised of a coarse, medium, and fine grid, while the wing-alone families also include an extra-fine mesh. These mesh sequences are utilized to help determine how the provided flow solutions fair with respect to asymptotic grid convergence, and are used to estimate an absolute drag of each configuration.

Vassberg, John C.↗

NASA NTRS2026

A Modular Conjugate Heat Transfer Optimization Framework for Thermal Management of Electric Aircraft

Conjugate heat transfer (CHT) analysis and optimization is a powerful method for improving thermal management, as it simultaneously resolves the temperature distribution in both fluid and solid domains. This paper presents a modular, discrete adjoint-based CHT optimization capability integrated within the OpenMDAO/MPhys framework. A unique feature of the proposed framework is its flexibility to extend to multidisciplinary optimization, including aero-structural-thermal applications. The fluid domain is modeled using a finite-volume Computational Fluid Dynamics (CFD) solver, and the solid domain with a conduction heat transfer solver. A mixed Neumann-Dirichlet boundary condition is developed to enable full submersion of the solid geometry within the fluid domain, while ensuring consistent temperature and heat flux coupling at the CHT interface. Gradient-based optimization is performed; the gradients are efficiently computed using the discrete adjoint solvers implemented in DAFoam. To demonstrate the method, this paper considers two cases related to electric aircraft thermal management: a U-bend heat exchanger and an actively cooled battery pack. The U-bend case aims to minimize pressure loss while maximizing heat flux by changing the pipe geometry. The optimized design reduces pressure loss by 52.7% and increases total heat flux by 2.3%. In the battery pack case, a 3-by-3 cell configuration is cooled by ambient airflow, with constant heat generation prescribed in the cells. The battery casing shape serves as the design variable, and the objective function is a weighted sum of pressure loss and pack weight, subject to a maximum temperature constraint. The optimized design achieves a 44.6% reduction in pressure loss and a 1.5% reduction in weight, while satisfying the thermal constraint. To ensure the reliability of the optimized designs, this study validates coarse-mesh, steady-state predictions against fine-mesh unsteady simulations, demonstrating consistency within acceptable errors. This work demonstrates the potential of the developed framework to enable rapid, high-fidelity design of thermal management systems for electric aircraft.

heat transfer↗

NASA NTRS1993

Towards a generalized computational fluid dynamics technique for all Mach numbers

Currently there exists no single unified approach for efficiently and accurately solving computational fluid dynamics (CFD) problems across the Mach number regime, from truly low speed incompressible flows to hypersonic speeds. There are several CFD codes that have evolved into sophisticated prediction tools with a wide variety of features including multiblock capabilities, generalized chemistry and thermodynamics models among other features. However, as these codes evolve, the demand placed on the end user also increases simply because of the myriad of features that are incorporated into these codes. In order for a user to be able to solve a wide range of problems, several codes may be needed requiring the user to be familiar with the intricacies of each code and their rather complicated input files. Moreover, the cost of training users and maintaining several codes becomes prohibitive. The objective of the current work is to extend the compressible, characteristic-based, thermochemical nonequilibrium Navier-Stokes code GASP to very low speed flows and simultaneously improve convergence at all speeds. Before this work began, the practical speed range of GASP was Mach numbers on the order of 0.1 and higher. In addition, a number of new techniques have been developed for more accurate physical and numerical modeling. The primary focus has been on the development of optimal preconditioning techniques for the Euler and the Navier-Stokes equations with general finite-rate chemistry models and both equilibrium and nonequilibrium thermodynamics models. We began with the work of Van Leer, Lee, and Roe for inviscid, one-dimensional perfect gases and extended their approach to include three-dimensional reacting flows. The basic steps required to accomplish this task were a transformation to stream-aligned coordinates, the formulation of the preconditioning matrix, incorporation into both explicit and implicit temporal integration schemes, and modification of the numerical flux formulae. In addition, we improved the convergence rate of the implicit time integration schemes in GASP through the use of inner iteration strategies and the use of the GMRES (General Minimized Resisual) which belongs to the class of algorithms referred to as Krylov subspace iteration. Finally, we significantly improved the practical utility of GASP through the addition of mesh sequencing, a technique in which computations begin on a coarse grid and get interpolated onto successively finer grids. The fluid dynamic problems of interest to the propulsion community involve complex flow physics spanning different velocity regimes and possibly involving chemical reactions. This class of problems results in widely disparate time scales causing numerical stiffness. Even in the absence of chemical reactions, eigenvalue stiffness manifests itself at transonic and very low speed flows which can be quantified by the large condition number of the system and evidenced by slow convergence rates. This results in the need for thorough numerical analysis and subsequent implementation of sophisticated numerical techniques for these difficult yet practical problems. As a result of this work, we have been able to extend the range of applicability of compressible codes to very low speed inviscid flows (M = .001) and reacting flows.

Walters, R. W.↗