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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

OzDES Reverberation Mapping Programme: the first Mg ii lags from 5 yr of monitoring

ABSTRACT Reverberation mapping is a robust method to measure the masses of supermassive black holes outside of the local Universe. Measurements of the radius–luminosity (R−L) relation using the Mg ii emission line are critical for determining these masses near the peak of quasar activity at z ≈ 1−2, and for calibrating secondary mass estimators based on Mg ii that can be applied to large samples with only single-epoch spectroscopy. We present the first nine Mg ii lags from our 5-yr Australian Dark Energy Survey reverberation mapping programme, which substantially improves the number and quality of Mg ii lag measurements. As the Mg ii feature is somewhat blended with iron emission, we model and subtract both the continuum and iron contamination from the multiepoch spectra before analysing the Mg ii line. We also develop a new method of quantifying correlated spectroscopic calibration errors based on our numerous, contemporaneous observations of F-stars. The lag measurements for seven of our nine sources are consistent with both the H β and Mg ii R−L relations reported by previous studies. Our simulations verify the lag reliability of our nine measurements, and we estimate that the median false positive rate of the lag measurements is $4{{\ \rm per\ cent}}$.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Rounding Error Analysis of Mixed Precision Block Householder QR Algorithms

Although mixed precision arithmetic has recently garnered interest for training dense neural networks, many other applications could benefit from the speedups and lower storage cost if applied appropriately. The growing interest in employing mixed precision computations motivates the need for rounding error analysis that properly handles behavior from mixed precision arithmetic. We develop mixed precision variants of existing Householder QR algorithms and show error analyses supported by numerical experiments.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

A Fast Time-Stepping Strategy for Dynamical Systems Equipped with a Surrogate Model

Simulation of complex dynamical systems arising in many applications is computationally challenging due to their size and complexity. Model order reduction, machine learning, and other types of surrogate modeling techniques offer cheaper and simpler ways to describe the dynamics of these systems but are inexact and introduce additional approximation errors. In order to overcome the computational difficulties of the full complex models, on one hand, and the limitations of surrogate models, on the other, this work proposes a new accelerated time-stepping strategy that combines information from both. This approach is based on the multirate infinitesimal general-structure additive Runge--Kutta framework. The inexpensive surrogate model is integrated with a small time step to guide the solution trajectory, and the full model is treated with a large time step to occasionally correct for the surrogate model error and ensure convergence. Here, we provide a theoretical error analysis, and several numerical experiments, to show that this approach can be significantly more efficient than using only the full or only the surrogate model for the integration.

Surrogate models↗
DOE OSTI2025

Stability-preserving Lossy Compression for Large-scale Partial Differential Equations

Checkpoint/Restart (C/R) strategies are vital for fault tolerance in PDE-based scientific simulations, yet traditional checkpointing incurs significant I/O overhead. Lossy compression offers a scalable solution by reducing checkpoint data size, but conventional methods often lack control over physical invariants (e.g., energy), leading to instability such as oscillations or divergence in Partial Differential Equations (PDE) systems. This paper introduces a stability-preserving compression approach tailored for PDE simulations by explicitly controlling kinetic and potential energy perturbations to ensure stable restarts. Extensive experiments conducted across diverse PDE configurations demonstrate that our method maintains numerical stability with minimal error magnification—even across multiple checkpoint-restart cycles—outperforming state-of-the-art lossy compressors. Parallel evaluations on the Frontier supercomputer show up to 8.4× improvement in checkpoint write performance and 6.3× in read performance, while maintaining relative L2 errors ∼ 2e-6 throughout continued simulation. These results provide practical guidance for balancing compression accuracy, stability, and computational efficiency in large-scale PDE applications.

Gong, Qian [ORNL] (ORCID:0000000235704142)↗
DOE OSTI2021

Galvanostatic Intermittent Titration Technique Reinvented: Part I. A Critical Review

The galvanostatic intermittent titration technique (GITT), introduced in 1977 by Weppner and Huggins, provided a readily accessible means to measuring the chemical diffusion coefficient of electrochemical electrode materials. The method continues to be widely used today, but the reported diffusivity values are highly inconsistent, ranging as much as four orders of magnitude for some Li layered oxide compositions. Even qualitative trends of diffusivity are inconsistent, suggesting significant flaws in the implementation of the method. Other variants of the GITT method also suffer from similar inconsistency problems. Here we identify numerous sources of significant error including composition-dependent reaction overpotentials, mathematical flaws in the relaxation analysis methods, finite-size and non-planar geometry effects, inter-particle inhomogeneity issues, early transient effects, and surface area uncertainties. We propose a simple relaxation analysis scheme using the time variable t relax + τ - t relax , where t relax is relaxation time and τ is the galvanostatic pulse duration. We also propose to use dense diffusion-limited samples to isolate the bulk-diffusion process in the time domain. Chemical diffusivity can be extracted much more reliably with this improved implementation of the GITT method.

25 ENERGY STORAGE↗
DOE OSTI2025

Partnership Center for High-Fidelity Boundary Plasma Simulation (Final Report)

Within the Partnership Center for High-Fidelity Boundary Plasma Simulation (HBPS), work at UT-Austin was aimed at improved verification, validation, and uncertainty quantification (VVUQ) for edge plasma simulations and on performing gyrokinetics simulations of pedestal instabilities and turbulence in order to expand foundational understanding of pedestal transport. Regarding VVUQ, the accomplishments can be summarized as follows. First, it was shown that the Moment Preserving Constrained Resampling technique, when applied periodically in particle-in-cell simulations in the XGC code, can dramatically improve the accuracy of the simulation at essentially equivalent computational cost. Second, a technique for estimating model correlations, which are required to solve the model selection and sample allocation problem in multifidelity UQ techniques, without sampling the highest fidelity, most computationally expensive model, was developed and demonstrated. Third, previously developed methods for estimating statistical and discretization errors were applied to numerical methods relevant to edge plasma simulations, namely in particle-in-cell-based approaches, and shown to work. Finally, benchmark studies for comparing gyrokinetic codes were developed and performed, leading to reasonable agreement between four commonly used codes. Regarding physics studies, gyrokinetic simulations to investigate microtearing modes in the DIII-D pedestal were performed using the GENE code.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

A Block-Structured Adaptive Mesh Framework to Solve Radiation Transfer Equation in Irregular Embedded Geometries

Radiation transport arises in various scientific, industrial, and medical fields, and understanding its effect in applications is needed to make accurate predictions, safety assessments and performance optimizations. Solving the Radiation Transport Equation (RTE) is challenging due to its integro-differential nature, which involves both differential and integral terms. The differential term describes the change in radiation intensity due to absorption and emission, while the integral term accounts for scattering. The accurate modeling of radiation is further complicated in many applications due to the complex, irregular geometries. Various methods exist for solving the RTE, including the zonal, Monte Carlo, spherical harmonics, discrete ordinates, and finite volume methods. Traditional mesh-based approaches, which rely on structured or unstructured meshes, struggle with irregular geometries due to: a) the difficulty of conforming structured grids to irregular domains, b) challenges in enforcing boundary conditions correctly, and c) the additional computational cost of unstructured mesh methods. This work presents a second-order accurate method for solving the RTE in irregular geometries. The radiation intensity is discretized using the finite-volume method in both spatial and angular directions on regular Cartesian grid blocks. Leveraging the block-structured adaptive mesh refinement (AMR) framework provided by AMReX, our method refines the grid locally to reduce spatial discretization error, ensuring a converged numerical solution while minimizing computational costs elsewhere. A two-stage deferred correction approach is employed: First, a first-order discretization on grid blocks is solved using an algebraic multigrid method in HYPRE. Second, a correction term is applied explicitly to achieve second-order accuracy. The correction term is calculated by approximating the radiation flux on cell faces using a Total Variation Diminishing (TVD) scheme. This approach ensures quick convergence of the multigrid method while preserving higher-order accuracy of the numerical solution. Irregular geometries are resolved as embedded boundaries (EB), resulting in both cut cells and regular cells. In cut cells, we modify the fluxes using face fractions and incorporate additional contributions from EB boundary conditions. To ensure higher-order convergence near the EB interface, the correction term is modified by interpolating the radiation intensity to fictitious ghost points. The implementation takes advantage of modern supercomputers by leveraging AMReX’sMPI/X parallelization strategy where X can be MPI or a GPU accelerator including CUDA, HIP and DPC++. We validate our solver using classical test cases, both with and without EB, demonstrating accuracy and efficiency. Additionally, we analyze the impact of adaptive mesh refinement on solution accuracy and computational cost, highlighting the advantages of our approach for high-resolution radiation transport simulations.

computational fluid dynamics (CFD)↗
NASA NTRS1972

Some effects of bias errors in redundant flight control systems.

The controllability and steady-state response of parallel-redundant flight control systems are examined. It is found that state components which appear in the parallel signal paths, e.g., individual actuator commands, are not controllable, although the sum of the command signals is well-behaved. If the response modes associated with these components are not stable, bias errors can cause the components to diverge, leading to the possibility of 'nuisance trips' in failure detection/isolation logic and eventual control system lockup (at saturation). Combining the inputs to the control computers assures that sensor bias will not cause divergence, while cross-strapping control strings bounds divergent response to all bias error inputs. Results of numerical solutions confirm the problem and its solutions.

Stengel, R. F.↗
NASA NTRS1972

Some effects of bias errors in redundant flight control systems

The controllability and steady-state response of parallel-redundant flight control systems are examined. It is found that state components which appear in the parallel signal paths, or individual actuator commands, are not controllable, although the sum of the command signals is well-behaved. If the response modes associated with these components are not stable, bias errors can cause the components to diverge, leading to the possibility of nuisance trips in failure detection/isolation logic and eventual control system lockup (at saturation). Combining the inputs to the control computers assures that sensor bias will not cause divergence, while cross-strapping control strings bounds divergent response to all bias error inputs. Results of numerical solutions confirm the problem and its solutions.

Stengel, R. F.↗
NASA NTRS1973

Quarantine constraints as applied to satellites

Plans for unmanned missions to planets beyond Mars in the 1970s include satellite encounters. Recently published observations of data for Titan, a satellite of Saturn, indicate that conditions may be hospitable for the growth of microorganisms. Therefore, the problem of satisfying possible quarantine constraints for outer planet satellites was investigated. This involved determining the probability of impacting a satellite of Jupiter or Saturn by a spacecraft for a planned satellite encounter during an outer planet mission. Mathematical procedures were formulated which determine the areas in the aim-plane that would result in trajectories that impact the satellite and provide a technique for numerically integrating the navigation error function over the impact area to obtain impact probabilities. The results indicate which of the planned spacecraft trajectory correction maneuvers are most critical in terms of satellite quarantine violation.

Hoffman, A. R.↗
NASA NTRS1973

Quarantine constraints as applied to satellites.

Plans for unmanned missions to planets beyond Mars in the 1970s include satellite encounters. Recently published observations of data for Titan, a satellite of Saturn, indicate that conditions may be hospitable for the growth of microorganisms. Therefore, the problem of satisfying possible quarantine constraints for outer planet satellites was investigated. This involved determining the probability of impacting a satellite of Jupiter or Saturn by a spacecraft for a planned satellite encounter during an outer planet mission. Mathematical procedures were formulated which (1) determine the areas in the aim-plane that would result in trajectories that impact the satellite and (2) provide a technique for numerically integrating the navigation error function over the impact area to obtain impact probabilities. The results indicate which of the planned spacecraft trajectory correction maneuvers are most critical in terms of satellite quarantine violation.

Hoffman, A. R.↗
NASA NTRS1973

Numerical marching techniques for fluid flows with heat transfer

The finite difference formulation and method of solution is presented for a wide variety of fluid flow problems with associated heat transfer. Only a few direct results from these formulations are given as examples, since the book is intended primarily to serve a discussion of the techniques and as a starting point for further investigations; however, the formulations are sufficiently complete that a workable computer program may be written from them. In the appendixes a number of topics are discussed which are of interest with respect to the finite difference equations presented. These include a very rapid method for solving certain sets of linear algebraic equations, a discussion of numerical stability, the inherent error in flow rate for confined flow problems, and a method for obtaining high accuracy with a relatively small number of mesh points.

Hornbeck, R. W.↗
NASA NTRS1975

Analysis of synchronous digital-modulation schemes for satellite communication

The multipath communication channel for space communications is modeled as a multiplicative channel. This paper discusses the effects of multiplicative channel processes on the symbol error rate for quadrature modulation (QM) digital modulation schemes. An expression for the upper bound on the probability of error is derived and numerically evaluated. The results are compared with those obtained for additive channels.

Takhar, G. S.↗
NASA NTRS1975

Stabilization by modification of the Lagrangian

In order to reduce the error growth during a numerical integration, a method of stabilization of the differential equations of the Keplerian motion is offered. It is characterized by the use of the eccentric anomaly as an independent variable in such a way that the time transformation is given by a generalized Lagrange formalism. The control terms in the equations of motion obtained by this modified Lagrangian give immediately a completely Liapunov-stable set of differential equations. In contrast to other publications, here the equation of time integration is modified by a control term which leads to an integral which defined the time element for the perturbed Keplerian motion.

Baumgarte, J. W.↗
NASA NTRS1976

Stabilization by modification of the Lagrangian

In order to reduce the error growth during a numerical integration, a method for stabilizing the differential equations of Keplerian motion is offered. It is characterized by the use of the eccentric anomaly as independent variable in such a way that the time transformation is given by a generalized Lagrange formalism. The control terms in the equations of motion obtained by this modified Lagrangian give immediately a completely Lyapunov-stable set of differential equations. The equation of time integration is modified by a control term which leads to an integral which defined the time element for the perturbed Keplerian motion.

Baumgarte, J. W.↗
NASA NTRS1977

Error behavior of multistep methods applied to unstable differential systems

The problem of modeling a dynamic system described by a system of ordinary differential equations which has unstable components for limited periods of time is discussed. It is shown that the global error in a multistep numerical method is the solution to a difference equation initial value problem, and the approximate solution is given for several popular multistep integration formulas. Inspection of the solution leads to the formulation of four criteria for integrators appropriate to unstable problems. A sample problem is solved numerically using three popular formulas and two different stepsizes to illustrate the appropriateness of the criteria.

Brown, R. L.↗
NASA NTRS1978

Error behaviour of multistep methods applied to unstable differential systems

The problem of modelling a dynamic system described by a system of ordinary differential equations which has unstable components for limited periods of time is discussed. It is shown that the global error in a multistep numerical method is the solution to a difference equation initial value problem, and the approximate solution is given for several popular multistep integration formulae. Inspection of the solution leads to the formulation of four criteria for integrators appropriate to unstable problems. A sample problem is solved numerically using three popular formulae and two different stepsizes to illustrate the appropriateness of the criteria.

Brown, R. L.↗