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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 793 records · Page 44

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NASA NTRS1981

Calculation of Unsteady Transonic Flow over an Airfoil

An implicit finite-difference solver for either the Euler equations or the "thin-layer" Navier-Stokes equations was used to calculate a transonic flow over the NACA 64A010 airfoil pitching about its one-quarter chord. An unsteady automatic grid-generation procedure that will improve significantly the computational efficiency of various unsteady flow problems is described. The calculated results for both inviscid and viscous flows at Much number 0.8 over the airfoil oscillating with reduced frequency referenced to one-half chord, 0.2, are compared with experimental data measured in the Ames 11 x 11-ft Transonic Wind Tunnel. Nonlinear, unsteady effects of the flow on the surface pressure variations, shock-wave excursions, and overall airloads are examined. Good agreements between the results of computations and experiments were obtained. In the shock-wave region, however, the results of the viscous-flow computations showed closer agreement with the experimental data.

Chyu, W. J.↗

NASA NTRS1981

Calculation of Unsteady Transonic Flow Over an Airfoil

An implicit finite-difference solver for either the Euler equations or the "thin-layer" Navier-Stokes equations was used to calculate a transonic flow over the NACA 64A010 airfoil pitching about its one-quarter chord. An unsteady automatic grid-generation procedure that will improve significantly the computational efficiency of various unsteady flow problems is described. The calculated results for both inviscid and viscous flows at Mach number 0.8 over the airfoil oscillating with reduced frequency referenced to one-half chord, 0.2, are compared with experimental data measured in the Ames 11 x 11 ft Transonic Wind Tunnel. Nonlinear, unsteady effects of the flow on the surface pressure variations, shock-wave excursions, and overall airloads are examined. Good agreements between the results of computations and experiments were obtained. In the shock-wave region, however, the results of the viscous-flow computations showed closer agreement with the experimental data.

Chyu, W. J.↗

DOE OSTI2026

Relaxations of the steady optimal gas flow problem for a non-Ideal gas

Natural gas ranks second in U.S. primary energy consumption. Because most production sites are remote, gas must be transported through pipeline networks equipped with compressors, valves, and other components. For both economic efficiency and system reliability, it is desirable to operate these networks optimally. The governing physics across pipeline components entails nonlinear, non-convex equality and inequality constraints, and the most general steady-flow operations problem is a Mixed-Integer Nonlinear Program (MINLP).This work focuses on one such steady-flow problem-the Optimal Gas Flow (OGF) for a natural gas pipeline network-which minimizes production cost subject to the steady-flow physics. For day-to-day operations, the ability to quickly compute a globally optimal solution and a strong lower bound for varying demand profiles is crucial. A promising strategy is to build tight relaxations of the OGF’s nonlinear constraints. However, many nonlinearities arising from non-ideal equations of state either lack relaxations or have relaxations that do not scale to realistic network sizes. We address this gap by combining recent advances in polyhedral relaxations for univariate functions to construct tight, computationally efficient relaxations of the OGF with a non-ideal equation of state. These relaxations solve within seconds on a standard laptop. In conclusion, we demonstrate their quality through extensive numerical experiments on very large-scale test networks from the literature and find that the proposed approach proves optimality in 92% of tested instances.

03 NATURAL GAS↗

DOE OSTI2025

Materials Learning Algorithms (MALA): Scalable machine learning for electronic structure calculations in large-scale atomistic simulations

We present the Materials Learning Algorithms (MALA) package, a scalable machine learning framework designed to accelerate density functional theory (DFT) calculations suitable for large-scale atomistic simulations. Using local descriptors of the atomic environment, MALA models efficiently predict key electronic observables, including local density of states, electronic density, density of states, and total energy. The package integrates data sampling, model training and scalable inference into a unified library, while ensuring compatibility with standard DFT and molecular dynamics codes. We demonstrate MALA's capabilities with examples including boron clusters, aluminum across its solid-liquid phase boundary, and predicting the electronic structure of a stacking fault in a large beryllium slab. Scaling analyses reveal MALA's computational efficiency and identify bottlenecks for future optimization. With its ability to model electronic structures at scales far beyond standard DFT, MALA is well suited for modeling complex material systems, making it a versatile tool for advanced materials research.

Density functional theory↗

NASA NTRSDate not supplied

Ab initio ground states of strongly-correlated materials on quantum computers

The accurate first-principles description of strongly-correlated materials is an important and challenging problem in condensed matter physics. Ab initio downfolding has emerged as a way of deriving accurate many-body Hamiltonians including strong correlations, representing a subspace of interest of a material, using density functional theory calculations as a starting point. However, the solution of these material-specific models can scale exponentially on classical computers, constituting a challenge. Here we propose that utilizing quantum computers for obtaining the properties of downfolded Hamiltonians yields an accurate description of the ground state properties of strongly-correlated systems, while circumventing the exponential scaling problem. We benchmark the solution of Hubbard-like models obtained through downfolding by utilizing a classical tensor network implementation of variational quantum eigensolvers (VQE), and we reveal a strategy for driving the optimization through a hybrid minimization of the energy and maximization of the overlap with an approximate solution obtained through low-cost computational methods. This results in a reduction of the energy error by orders of magnitude compared to conventional VQE approaches, and allows us to reproduce long-range correlations for the first time. We demonstrate our first-principles approach for diverse strongly-correlated materials, correctly predicting the antiferromagnetic state of one-dimensional cuprate Ca 2 CuO 3 , the excitonic ground state of monolayer WTe2, and the charge-ordered state of correlated metal SrVO 3 . Our efficient computational implementation allows us to simulate large systems with up to 54 qubits and encompassing up to four correlated bands, which is indicative of the complexity that our framework can address.

Antonios M Alvertis↗

DOE OSTI2026

Neural operator transformers capture bifurcating drift-wave turbulence in fusion plasma simulations

Self-consistent modeling of turbulence-driven transport is critical for optimizing confinement in magnetically confined fusion plasmas, such as tokamaks and stellarators. In particular, capturing the long-term co-evolution of turbulence, flow, and background plasma profiles remains computationally challenging. Direct numerical simulation of these multiscale, highly nonlinear processes is often demanding and impractical for real-time control or design optimization. To address this bottleneck, we investigate transformer-based neural operator partial differential equation surrogates for emulating the dynamics of drift-wave turbulence bifurcation mediated by zonal flows, using the modified Hasegawa–Wakatani (MHW) model as a prototypical system. We find that the finetuned neural operator model has excellent performance in capturing the multi-spatiotemporal-scales of MHW turbulence bifurcation and is robust to testing on rare and out-of-distribution dynamics. Specifically, we demonstrate that a single unified model accurately predicts both quasi-steady-state turbulence and a wide range of dynamical transition processes, such as nonlinear saturation, spontaneous suppression of turbulence, and the emergence of macroscopic zonal flows, over time horizons vastly exceeding the local turbulence correlation time. This computationally efficient approach establishes a strong foundation for fast, AI-based modeling of complex, multiscale phenomena in magnetized fusion plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Acceleration of Thermochemistry Solves in MOOSE and Pronghorn

This work focuses on the development and implementation of strategies to accelerate thermochemical calculations within MOOSE-based multiphysics simulations, particularly for applications in MSRs. We highlight the inherent complexity of nuclear materials, which require a multiscale approach to accurately model their behavior across various physical domains, including mechanical, chemical, and thermal phenomena. Thermochemical equilibrium calculations are crucial for predicting material properties and enhancing the fidelity of these simulations. The integration of Thermochimica, a Gibbs energy minimizer, into MOOSE allows for the direct minimization of Gibbs energy at every point on the mesh. However, the computational cost of such integration is significant. To address this, we explored acceleration strategies such as multi-threading support and the use of a thermodynamic ValueCache to reduce redundant calculations. Additionally, we investigated modifications to Thermochimica to enable phase constraints and improve its coupling with phase-field models, which are essential for simulating microstructural evolution and corrosion in MSR. These efforts aim to optimize the computational efficiency and accuracy of multiphysics simulations, thereby supporting the development of reliable and efficient nuclear materials for next-generation reactor technologies.

36 - MATERIALS SCIENCE↗

NASA NTRS1997

Nonlinear Behavior of a Typical Airfoil Section with Control Surface Freeplay: A Numerical and Experimental Study

A three degree-of-freedom aeroelastic typical section with control surface freeplay is modeled theoretically as a system of piecewise linear state-space models. The system response is determined by time marching of the governing equations using a standard Runge-Kutta algorithm in conjunction with Henon's method for integrating a system of equations to a prescribed surface of phase space section. Henon's method is used to locate the "switching points" accurately and efficiently as the system moves from one linear region into another. An experimental model which closely approximates the three degree-of-freedom, typical section in two-dimensional, incompressible flow has been created to validate the theoretical model. Consideration is given to modeling realistically the structural damping present in the experimental system. The effect of the freeplay on the system response is examined numerically and experimentally. The development of the state-space model offers a low-order, computationally efficient means of modeling fully the freeplay nonlinearity and may offer advantages in future research which will investigate the effects of freeplay on the control of flutter in the typical section.

Conner, M. D.↗

NASA NTRS2017

Multifidelity, Multidisciplinary Design Under Uncertainty with Non-Intrusive Polynomial Chaos

The primary objective of this work is to develop an approach for multifidelity uncertainty quantification and to lay the framework for future design under uncertainty efforts. In this study, multifidelity is used to describe both the fidelity of the modeling of the physical systems, as well as the difference in the uncertainty in each of the models. For computational efficiency, a multifidelity surrogate modeling approach based on non-intrusive polynomial chaos using the point-collocation technique is developed for the treatment of both multifidelity modeling and multifidelity uncertainty modeling. Two stochastic model problems are used to demonstrate the developed methodologies: a transonic airfoil model and multidisciplinary aircraft analysis model. The results of both showed the multifidelity modeling approach was able to predict the output uncertainty predicted by the high-fidelity model as a significant reduction in computational cost.

West, Thomas K., IV↗

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 NTRS1996

Simplified Phased-Mission System Analysis for Systems with Independent Component Repairs

Accurate analysis of reliability of system requires that it accounts for all major variations in system's operation. Most reliability analyses assume that the system configuration, success criteria, and component behavior remain the same. However, multiple phases are natural. We present a new computationally efficient technique for analysis of phased-mission systems where the operational states of a system can be described by combinations of components states (such as fault trees or assertions). Moreover, individual components may be repaired, if failed, as part of system operation but repairs are independent of the system state. For repairable systems Markov analysis techniques are used but they suffer from state space explosion. That limits the size of system that can be analyzed and it is expensive in computation. We avoid the state space explosion. The phase algebra is used to account for the effects of variable configurations, repairs, and success criteria from phase to phase. Our technique yields exact (as opposed to approximate) results. We demonstrate our technique by means of several examples and present numerical results to show the effects of phases and repairs on the system reliability/availability.

Somani, Arun K.↗

NASA NTRS1998

Efficient and Optimal Attitude Determination Using Recursive Global Positioning System Signal Operations

In this paper, a new and efficient algorithm is developed for attitude determination from Global Positioning System signals. The new algorithm is derived from a generalized nonlinear predictive filter for nonlinear systems. This uses a one time-step ahead approach to propagate a simple kinematics model for attitude determination. The advantages of the new algorithm over previously developed methods include: it provides optimal attitudes even for coplanar baseline configurations; it guarantees convergence even for poor initial conditions; it is a non-iterative algorithm; and it is computationally efficient. These advantages clearly make the new algorithm well suited to on-board applications. The performance of the new algorithm is tested on a dynamic hardware simulator. Results indicate that the new algorithm accurately estimates the attitude of a moving vehicle, and provides robust attitude estimates even when other methods, such as a linearized least-squares approach, fail due to poor initial starting conditions.

Crassidis, John L.↗

NASA NTRS2012

Alternative Modal Basis Selection Procedures For Reduced-Order Nonlinear Random Response Simulation

Three procedures to guide selection of an efficient modal basis in a nonlinear random response analysis are examined. One method is based only on proper orthogonal decomposition, while the other two additionally involve smooth orthogonal decomposition. Acoustic random response problems are employed to assess the performance of the three modal basis selection approaches. A thermally post-buckled beam exhibiting snap-through behavior, a shallowly curved arch in the auto-parametric response regime and a plate structure are used as numerical test articles. The results of a computationally taxing full-order analysis in physical degrees of freedom are taken as the benchmark for comparison with the results from the three reduced-order analyses. For the cases considered, all three methods are shown to produce modal bases resulting in accurate and computationally efficient reduced-order nonlinear simulations.

Przekop, Adam↗

NASA NTRS1995

Unsteady Aerodynamic Models for Turbomachinery Aeroelastic and Aeroacoustic Applications

Theoretical analyses and computer codes are being developed for predicting compressible unsteady inviscid and viscous flows through blade rows of axial-flow turbomachines. Such analyses are needed to determine the impact of unsteady flow phenomena on the structural durability and noise generation characteristics of the blading. The emphasis has been placed on developing analyses based on asymptotic representations of unsteady flow phenomena. Thus, high Reynolds number flows driven by small amplitude unsteady excitations have been considered. The resulting analyses should apply in many practical situations and lead to a better understanding of the relevant flow physics. In addition, they will be efficient computationally, and therefore, appropriate for use in aeroelastic and aeroacoustic design studies. Under the present effort, inviscid interaction and linearized inviscid unsteady flow models have been formulated, and inviscid and viscid prediction capabilities for subsonic steady and unsteady cascade flows have been developed. In this report, we describe the linearized inviscid unsteady analysis, LINFLO, the steady inviscid/viscid interaction analysis, SFLOW-IVI, and the unsteady viscous layer analysis, UNSVIS. These analyses are demonstrated via application to unsteady flows through compressor and turbine cascades that are excited by prescribed vortical and acoustic excitations and by prescribed blade vibrations. Recommendations are also given for the future research needed for extending and improving the foregoing asymptotic analyses, and to meet the goal of providing efficient inviscid/viscid interaction capabilities for subsonic and transonic unsteady cascade flows.

Verdon, Joseph M.↗

DOE OSTI2025

6D large charge and 2D Virasoro blocks

We compute observables in the interacting rank-one 6D 𝒩 =(2,0) superconformal field theory (SCFT) at large 𝑅-charge. We focus on correlators involving Φ 𝑛 , namely symmetric products of the bottom component of the supermultiplet containing the stress tensor. By using the moduli space effective action and methods from the large-charge expansion, we compute the operator product expansion coefficients ⟨Φ 𝑛 ⁢Φ 𝑚 ⁢Φ 𝑛+𝑚 ⟩ in an expansion in 1/𝑛. The coefficients of the expansion are only partially determined from the 6D perspective, but we manage to fix them order-by-order in 1/𝑛 numerically by utilizing the 6⁢D/2⁢D correspondence. This is made possible by the fact that this 6D observable can be extracted in 2D from a specific double-scaling limit of the vacuum Virasoro block, which can be efficiently computed numerically. We also extend the computation to higher-rank SCFTs, and discuss various applications of our results to 6D as well as 2D.

classical solutions in field theory↗

DOE OSTI2025

AutonomieAI: An efficient and deployable vehicle energy consumption estimation toolkit

Here, this paper presents AutonomieAI, a novel toolkit designed for efficient energy estimation of vehicles across diverse trip scenarios, routes, and drive cycles, applicable to a broad range of vehicle powertrain technologies. It leverages state-of-the-art Machine Learning techniques to deliver real-time energy prediction of vehicles, enabling co-simulation with transportation level system tools and opening doors for large-scale optimization at city, network or national level. Benchmark results show that AutonomieAI achieves high accuracy, with an average percentage error below 2% for most powertrain types, and computational efficiency capable of processing over 10,000 trips per second. Applications of AutonomieAI have potential to offer the flexibility to assist in solving eco-routing problems, optimize for vehicle and powertrain selection, study charging decision behavior, and optimize for charging station placement. AutonomieAI is the result of large neural network based model architectures, trained on very large and unique high fidelity vehicle simulation data. It is lightweight, deployable, efficient and has accuracy comparable to specialized and complex physics based simulation softwares.

Autonomie↗

NASA NTRSDate not supplied

Look-up Table for Lidar and Polarimeter Liquid Water Cloud Studies

- Combined lidar and polarimeter retrievals of aerosol, cloud and ocean microphysical properties involve single scattering cloud calculations that are time consuming. - We create a look-up table to speed up calculations for water droplets in the atmosphere. The gained increase in computational efficiency is up to 10^(4). - In our new Lorenz-Mie look-up table we tabulate the light scattering by an ensemble of homogeneous isotropic spheres at wavelengths starting from 0.35 µm. - The look-up table covers liquid water cloud particles with radii in the range of 0.001—500 µm. - The covered complex refractive indices range from 1.25 to 1.36 for the real part and from 0 to 0.001 for the imaginary part. - Using look-up table, we can precisely compute inherent optical properties for the particle size distributions ranging up to 100 µm for the effective radius and up to 0.6 for the effective variance. - We test wavelengths from 0.35 to 2.3 µm and find that the P12 element of the normalized scattering matrix is precise to within 1% for 96.7% of cases; the absorption and backscatter coefficients, and lidar ratio are precise to within 1% for 99% of cases; the P11 , P33 and P34 elements of the normalized scattering matrix, the asymmetry parameter, the extinction and scattering coefficients are precise to within 1% for all cases. - We provide an example of using the look-up table with in situ measurements to determine agreement with remote sensing. - The look-up table along with examples of its use soon will be freely available at https://science.larc.nasa.gov/polarimetry

Eduard Chemyakin↗

NASA NTRS1991

A kinematic analysis of the Space Station remote manipulator system (SSRMS)

An efficient reverse analysis of three 6-degree-of-freedom (dof) subchains of the 7-dof SSRMS is presented. The first subchain is formed by locking the seventh joint. The second subchain is formed by locking the second joint, while the third subchain is formed by locking the first joint (the grounded joint is counted as the first joint in the chain). There are a maximum of eight different arm configurations in each of the three subchains, and these were determined by employing a computer-efficient algorithm, which required the rooting of only at most quadratic polynomials. The algorithms were implemented, and the SSRMS was employed in an animated environment to perform and practice a number of useful tasks for Space Station servicing. The locking of the second joint has the advantage in that an operator can choose the orientation of the plane that contains the two longest links so as to avoid collisions with obstacles. However, it has the disadvantage that when the second joint angle equals 0 deg or 180 deg, the manipulator is in a singularity configuration. This plane can also be oriented by specifying the first joint angle, so that the plane can be oriented arbitrarily and, in this, the singularity is avoided.

Crane, Carl D., III↗