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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

MOSCATO Development and Integration in Fiscal Year 2025: Implementation of Multiphase, Multiphysics Modeling Capabilities for Molten Salt Systems

MOSCATO (Molten Salt Chemistry and Transport) is a multiphysics code that provides high-fidelity, coupled simulations of fluid flow, heat transfer, mass transfer, chemistry, electrochemical phenomena, and alloy corrosion for molten salt systems. In FY25, significant developments were made to the code package, enhancing its capabilities for modeling all relevant phenomena within operating moltens salt reactors (MSRs). The developments and activities in FY25 included: 1. Implementation of Level-Set methods to enable modeling of single-bubble behavior in molten salts. In FY25, the Level-Set two-phase flow modeling implementation was improved to simulate single bubble behavior with molten salt media. The large density and viscosity ratios between typical gases and molten salt liquids present challenges for these types of numerical solvers. With enhancements to the pressure projection method, MOSCATO’s Level-Set solver was able to be successfully validated to experiments related to helium bubble rise in stagnant molten salt. The simulated bubble rising velocity showed reasonable good agreement with experimental measurements. The bubble shape and dynamics were also visually compared with experimental snapshots, demonstrating a good qualitative match. 2. Generation of mass transfer correlations for multiphase flow systems. To enable calculations of the tritium transport across the interface between gas bubbles and salt, we modeled high- Schmidt-number mass transfer around a sphere across a broad range of Reynolds numbers. The mesh near the sphere surface was highly refined to resolve steep concentration gradients caused by the low diffusion coefficient. Literature-based mass transfer correlations were compared with the numerical results, and modifications were proposed to improve agreement, particularly at higher Schmidt numbers. These mass transfer correlations were subsequently provided to other national laboratories to help enable high quality mass transfer simulations using lower-order solvers under development within the NEAMS program. 3. Preliminary implementation of a bubbly flow solver. To model bubbly flow in molten salt, we implemented a bubbly flow solver for void fractions less than 5%. To do so, an algebraic relative velocity model that assumes small bubbles with rapid momentum equilibration was added to MOSCATO to compute bubble velocities. Preliminary comparisons with experimental data showed reasonable agreement, and further improvements are underway. 4. Generation of mass transfer correlations for MSRE subchannel The Molten-Salt Reactor Experiment (MSRE) was a landmark historical project that demonstrated the feasibility of molten-salt reactor technology. The MSRE campaign also generated a significant body of experimental data and reports that continue to support molten-salt–related research. In this report, the MSRE core subchannel was used as the reference geometry for a mass transfer study performed with MOSCATO. The geometry and computational mesh were adapted from a previous study, providing adequate resolution for the relatively low Reynolds number in this case. Additional mesh refinement was applied to reach higher Schmidt numbers, enabling the derivation of a reliable mass-transfer correlation for the present scenario. 5. Simulations of oxygen ingressions into molten salt. In the previous fiscal year, we initiated a study to simulate oxygen ingression in stagnant salt. As oxygen enters the salt through its surface, it reacts with Ce 3+ to form solid CeO 2 and other reaction products. To more fully capture the complex diffusion-convection-reaction mechanisms, capabilities for modeling natural convection in the salt vessel were added. These were needed as the flow of the ingressed gas induced flow in the salt caused by surface shear and non-isothermal effects. With these updated physics in place, we were able to successfully reproduce the experimental results for the rate of change of CeCl 3 concentrations versus time. 6. Flow corrosion model validation. In FY24, MOSCATO’s corrosion model was validated against static corrosion experiments. In FY25, this work was extended to a flow corrosion experiment, where FLiNaK salt was driven by natural convection, with initial salt impurities to initiate corrosion. Despite uncertainties in parameters such as elemental diffusion coefficients in the alloy and unknown H + concentrations, the simulations achieved good agreement with experimental results, especially in predicting sample mass losses.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1995

An hp-adaptivity and error estimation for hyperbolic conservation laws

This paper presents an hp-adaptive discontinuous Galerkin method for linear hyperbolic conservation laws. A priori and a posteriori error estimates are derived in mesh-dependent norms which reflect the dependence of the approximate solution on the element size (h) and the degree (p) of the local polynomial approximation. The a posteriori error estimate, based on the element residual method, provides bounds on the actual global error in the approximate solution. The adaptive strategy is designed to deliver an approximate solution with the specified level of error in three steps. The a posteriori estimate is used to assess the accuracy of a given approximate solution and the a priori estimate is used to predict the mesh refinements and polynomial enrichment needed to deliver the desired solution. Numerical examples demonstrate the reliability of the a posteriori error estimates and the effectiveness of the hp-adaptive strategy.

Bey, Kim S.↗
NASA NTRS1999

Self-Avoiding Walks Over Adaptive Triangular Grids

Space-filling curves is a popular approach based on a geometric embedding for linearizing computational meshes. We present a new O(n log n) combinatorial algorithm for constructing a self avoiding walk through a two dimensional mesh containing n triangles. We show that for hierarchical adaptive meshes, the algorithm can be locally adapted and easily parallelized by taking advantage of the regularity of the refinement rules. The proposed approach should be very useful in the runtime partitioning and load balancing of adaptive unstructured grids.

Heber, Gerd↗
DOE OSTI2026

Causality-respecting adaptive refinement for PINNs: enabling precise interface evolution in phase field modeling

Physics-informed neural networks (PINNs) have emerged as a powerful tool for solving physical systems described by partial differential equations (PDEs). However, their accuracy in dynamical systems, particularly those involving sharp moving boundaries with complex initial morphologies, remains a challenge. Here, this study introduces an approach combining residual-based adaptive refinement (RBAR) with causality-informed training to enhance the performance of PINNs in solving spatio-temporal PDEs. Our method employs a three-step iterative process: initial causality-based training, RBAR-guided domain refinement, and subsequent causality training on the refined mesh. Applied to the Allen-Cahn equation, a widely-used model in phase field simulations, our approach demonstrates significant improvements in solution accuracy and computational efficiency over traditional PINNs. Notably, we observe an ‘overshoot and relocate’ phenomenon in dynamic cases with complex morphologies, showcasing the method’s adaptive error correction capabilities. This synergistic interaction between RBAR and causality training enables accurate capture of interface evolution, even in challenging scenarios where traditional PINNs fail. Our framework not only resolves the limitations of uniform refinement strategies but also provides a generalizable methodology for solving a broad range of spatio-temporal PDEs. The enhanced performance of the RBAR–causality combined framework demonstrates its strong potential for advancing PINN-based modeling of physical systems characterized by complex, evolving interfaces.

Allen-Cahn equations↗
NASA NTRS1989

Mesh refinement in finite element analysis by minimization of the stiffness matrix trace

Most finite element packages provide means to generate meshes automatically. However, the user is usually confronted with the problem of not knowing whether the mesh generated is appropriate for the problem at hand. Since the accuracy of the finite element results is mesh dependent, mesh selection forms a very important step in the analysis. Indeed, in accurate analyses, meshes need to be refined or rezoned until the solution converges to a value so that the error is below a predetermined tolerance. A-posteriori methods use error indicators, developed by using the theory of interpolation and approximation theory, for mesh refinements. Some use other criterions, such as strain energy density variation and stress contours for example, to obtain near optimal meshes. Although these methods are adaptive, they are expensive. Alternatively, a priori methods, until now available, use geometrical parameters, for example, element aspect ratio. Therefore, they are not adaptive by nature. An adaptive a-priori method is developed. The criterion is that the minimization of the trace of the stiffness matrix with respect to the nodal coordinates, leads to a minimization of the potential energy, and as a consequence provide a good starting mesh. In a few examples the method is shown to provide the optimal mesh. The method is also shown to be relatively simple and amenable to development of computer algorithms. When the procedure is used in conjunction with a-posteriori methods of grid refinement, it is shown that fewer refinement iterations and fewer degrees of freedom are required for convergence as opposed to when the procedure is not used. The mesh obtained is shown to have uniform distribution of stiffness among the nodes and elements which, as a consequence, leads to uniform error distribution. Thus the mesh obtained meets the optimality criterion of uniform error distribution.

Kittur, Madan G.↗
NASA NTRS2003

Three-Dimensional Turbulent RANS Adjoint-Based Error Correction

Engineering problems commonly require functional outputs of computational fluid dynamics (CFD) simulations with specified accuracy. These simulations are performed with limited computational resources. Computable error estimates offer the possibility of quantifying accuracy on a given mesh and predicting a fine grid functional on a coarser mesh. Such an estimate can be computed by solving the flow equations and the associated adjoint problem for the functional of interest. An adjoint-based error correction procedure is demonstrated for transonic inviscid and subsonic laminar and turbulent flow. A mesh adaptation procedure is formulated to target uncertainty in the corrected functional and terminate when error remaining in the calculation is less than a user-specified error tolerance. This adaptation scheme is shown to yield anisotropic meshes with corrected functionals that are more accurate for a given number of grid points then isotropic adapted and uniformly refined grids.

Park, Michael A.↗
DOE OSTI2025

LDRD Abbreviated report: High-Order General-Discrete-Ordinates Method Enabling Efficient Deterministic Transport in Hydrodynamic Simulations

Deterministic transport simulations for national-security and energy applications often operate in high-dimensional phase-space, where accuracy and cost both become major challenges. A common numerical artifact in such problems is the “ray-effect,” which appears as unphysical streaks. Beyond misinterpretation, these artifacts can contaminate tightly coupled physics, such as fluid dynamics, radiation-hydrodynamics, and laser-plasma interactions, eroding the predictive capability of entire multiphysics workflows. Our objective was to make high-dimension studies practical on modern hardware while mitigating the ray-effect without relying on prohibitively expensive sampling approaches such as Monte Carlo methods. We developed the Generic Discretization Library (GenDiL), a Graphics Processing Unit (GPU)-first framework that uses high-order Discontinuous Galerkin (DG) methods and matrix-free algorithms to reduce memory usage and improve computational efficiency, critical for phase-space simulations. GenDiL supports phase-space adaptivity in both mesh size and polynomial order (hp-adaptivity) to place resolution only where it is needed. A central capability is Local Dimensional Refinement (LDR), which couples lower-dimension continuum models to higher-dimension kinetic models through stable and conservative interfaces, so that high-fidelity physics is applied only in regions where it is essential. Building on the GenDiL framework, we developed the General SN (GSN) family of algorithms as a true generalization of the polar SN approach (discrete ordinates, often denoted SN). Rather than tying discrete ordinates to a specific polar change of coordinates, GSN formulates transport on an arbitrary change of coordinates chosen to reduce ray-effect. We studied two complementary variants: an analytic variant, where the coordinate map is prescribed in advance by a closed-form function; and a data-driven variant, where a quantity of interest, such as the net flux, guides the coordinate system. GenDiL provides the library infrastructure for efficient GPU execution, but the GSN concept is algorithmic and independent of any one library. Across representative high-dimension tests, including non-symmetric solutions, both variants delivered strong ray-effect mitigation at practical cost, moving four- to six-dimensional analysis toward repeatable, routine studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2019

Adjoint-Based Mesh Adaptation and Shape Optimization for Simulations with Propulsion

We demonstrate a well-posed formulation of permeable boundary conditions and mass- flow-rate functionals for adjoint-based mesh refinement and shape optimization governed by the steady Euler equations. The boundary conditions are used to model propulsion- system effects of inlets and nozzles. A two-shock diffuser with an analytic solution is used to verify the implementation. Numerical examples show that the adjoint solution is smooth at the boundary, indicating that the discretization is adjoint consistent when exit pressure is specified at subsonic outflow, and stagnation temperature and pressure at subsonic inflow. The results focus on improving simulation techniques for low-boom aircraft analysis and design. By including mass-flow-rate outputs, we obtain reliable estimates of engine flow rates concurrently with nearfield pressure signatures without increasing simulation cost. We also demonstrate the importance of mass-flow-rate constraints in shape optimization by examining trade-offs between maximizing performance of a shrouded supersonic nozzle and minimizing shocks in its nearfield.

Nemec, Marian↗
NASA NTRS1985

Solution adaptivity using a triangular mesh

Solution adaptivity is discussed first from a general perspective and then from the specific viewpoint of triangular meshes. The use of a general connectivity triangular mesh is emphasized. The development of monitor surfaces and their geometric properties is discussed. Mesh point movement is addressed, as is the dynamic restructuring of the connectivity pattern among moving modes. Changes in the number of mesh nodes to obtain suitable refinement for a physical simulation is examined, and the use of locally regular structures to offset the data structure limitation of a general connectivity triangular mesh and thus to obtain an enhanced range of application is considered. To illustrate the basic features of the adaptive triangular mesh strategy, an application to the study of plasma equilibrium is briefly considered.

Eiseman, P. R.↗
NASA NTRS2000

A Solution Adaptive Technique Using Tetrahedral Unstructured Grids

An adaptive unstructured grid refinement technique has been developed and successfully applied to several three dimensional inviscid flow test cases. The method is based on a combination of surface mesh subdivision and local remeshing of the volume grid Simple functions of flow quantities are employed to detect dominant features of the flowfield The method is designed for modular coupling with various error/feature analyzers and flow solvers. Several steady-state, inviscid flow test cases are presented to demonstrate the applicability of the method for solving practical three-dimensional problems. In all cases, accurate solutions featuring complex, nonlinear flow phenomena such as shock waves and vortices have been generated automatically and efficiently.

Pirzadeh, Shahyar Z.↗
NASA NTRS1990

Generation and adaptation of 3-D unstructured grids for transient problems

Grid generation and adaptive refinement techniques suitable for the simulation of strongly unsteady flows past geometrically complex bodies in 3-D are described. The grids are generated using the advancing front technique. Emphasis is placed not to generate elements that are too small, as this would severely increase the cost of simulations with explicit flow solvers. The grids are adapted to an evolving flowfield using simple h-refinement. A grid change is performed every 5 to 10 timesteps, and only one level of refinement/coarsening is allowed per mesh change.

Loehner, Rainald↗
NASA NTRSDate not supplied

HLPW-5: Overview and Workshop Summary

The Fifth AIAA CFD High-Lift Prediction Workshop was held with the goal of assessing the numerical prediction capability of current-generation computational fluid dynamics (CFD) technology for swept, medium/high-aspect-ratio wings in high-lift configurations. A key aspect of this endeavor was the use of Technology Focus Groups (TFG), which included both mesh generation and flow-solver experts working together to accelerate advancements for their particular CFD methodology, by addressing key questions of importance prior to the workshop. The high-lift version of the NASA Common Research Model (CRM-HL) configuration was the focus of this workshop, and was used for three unique test cases. Wind-tunnel data were available for comparison for one of the test cases. Altogether, 365 datasets of CFD results were submitted by 47 teams, with 41 teams contributing to the multiple configurations of Case 1, 40 to Case 2, and 18 to Case 3. This paper provides a high-level summary of the results and conclusions from the workshop. As concluded from past workshops, fixed-grid Reynolds-averaged Navier-Stokes methods continued to be inaccurate and inconsistent for high-lift flows near maximum lift. However, application of mesh-adaptation technology helped to achieve improved consistency. Scale-resolving methods appeared most promising for predicting high-lift flow physics, particularly at maximum lift. Best practices for these methods were refined over the course of the workshop and new challenges were identified.

Adam M Clark↗
NASA NTRSDate not supplied

Cartesian Mesh Simulations for the Third AIAA Sonic Boom Prediction Workshop

Simulation results are presented for all cases from the Third AIAA Sonic Boom Prediction Workshop. An inviscid, embedded-boundary Cartesian-mesh flow solver is used in conjunction with adjoint-based mesh adaptation to compute nearfield pressure signatures. Specialized techniques are applied to maximize accuracy and minimize cost on Cartesian meshes. The Richardson-based error estimate highlights regions of the signatures most sensitive to mesh refinement. Timing results and coarse, medium, and fine mesh sizes for nearfield cases demonstrate that the parallel decomposition approach is efficient in both computational time and wall-clock. Pressure signals are propagated to the ground using an augmented Burgers’ equation solver to predict boom carpets. Ground signatures and loudness metrics are presented for a standard atmosphere as well as more realistic atmospheric profiles, which affect overall noise levels and can significantly widen the boom carpet. Mesh convergence studies show that high sampling frequencies, around 500 kHz, are required for propagation, and the sampling frequency increases at large off-track angles with longer acoustic ray paths and propagation times. The numerical methods yield accurate results for predicting low sonic boom signatures while being among the least computationally expensive of the workshop.

ARMD↗
NASA NTRS1988

Finite element Euler computations in three dimensions

A two-step explicit FEM solution algorithm for the three-dimensional compressible Euler and Navier-Stokes equations based on unstructured triangular and tetrahedral grids is described and demonstrated. The method represents an extension and refinement of the algorithms presented by Loehner et al. (1984 and 1985), Peraire et al. (1987), and Morgan et al. (1987). The formulation and numerical implementation are outlined; the mesh generation, data structures, and adaptive remeshing are explained; and results for a two-dimensional airfoil, a three-dimensional engine air intake, a B747 in landing configuration, and a generic fighter aircraft are presented in extensive graphics and discussed in detail.

Peraire, Jaime↗
NASA NTRS1993

Unstructured adaptive mesh computations of rotorcraft high-speed impulsive noise

A new method is developed for modeling helicopter high-speed impulsive (HSI) noise. The aerodynamics and acoustics near the rotor blade tip are computed by solving the Euler equations on an unstructured grid. A stationary Kirchhoff surface integral is then used to propagate these acoustic signals to the far field. The near-field Euler solver uses a solution-adaptive grid scheme to improve the resolution of the acoustic signal. Grid points are locally added and/or deleted from the mesh at each adaptive step. An important part of this procedure is the choice of an appropriate error indicator. The error indicator is computed from the flow field solution and determines the regions for mesh coarsening and refinement. Computed results for HSI noise compare favorably with experimental data for three different hovering rotor cases.

Strawn, Roger↗
NASA NTRS2001

Parallel Programming Strategies for Irregular Adaptive Applications

Achieving scalable performance for dynamic irregular applications is eminently challenging. Traditional message-passing approaches have been making steady progress towards this goal; however, they suffer from complex implementation requirements. The use of a global address space greatly simplifies the programming task, but can degrade the performance for such computations. In this work, we examine two typical irregular adaptive applications, Dynamic Remeshing and N-Body, under competing programming methodologies and across various parallel architectures. The Dynamic Remeshing application simulates flow over an airfoil, and refines localized regions of the underlying unstructured mesh. The N-Body experiment models two neighboring Plummer galaxies that are about to undergo a merger. Both problems demonstrate dramatic changes in processor workloads and interprocessor communication with time; thus, dynamic load balancing is a required component.

Biswas, Rupak↗
DOE OSTI2025

Robust Implicit Adaptive Low Rank Time-Stepping Methods for Matrix Differential Equations

In this work, we develop implicit rank-adaptive schemes for time-dependent matrix differential equations. The dynamic low rank approximation (DLRA) is a well-known technique to capture the dynamic low rank structure based on Dirac–Frenkel time-dependent variational principle. In recent years, it has attracted a lot of attention due to its wide applicability. Our schemes are inspired by the three-step procedure used in the rank adaptive version of the unconventional robust integrator (the so called BUG integrator) (Ceruti et al. in BIT Numer Math 62(4):1149–1174, 2022) for DLRA. First, a prediction (basis update) step is made computing the approximate column and row spaces at the next time level. Second, a Galerkin evolution step is invoked using an implicit solves for the small core matrix. Finally, a truncation is made according to a prescribed error threshold. Since the DLRA is evolving the differential equation projected on to the tangent space of the low rank manifold, the error estimate of the BUG integrator contains the tangent projection (modeling) error which cannot be easily controlled by mesh refinement. This can cause convergence issue for equations with cross terms. To address this issue, we propose a simple modification, consisting of merging the row and column spaces from the explicit step truncation method together with the BUG spaces in the prediction step. In addition, we propose an adaptive strategy where the BUG spaces are only computed if the residual for the solution obtained from the prediction space by explicit step truncation method, is too large. Here, we prove stability and estimate the local truncation error of the schemes under assumptions. We benchmark the schemes in several tests, such as anisotropic diffusion, solid body rotation and the combination of the two, to show robust convergence properties.

97 MATHEMATICS AND COMPUTING↗