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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Impacts of Bulk Microphysics Scheme Structural Choices on Simulations of Rain Initiation Through Drop Coalescence

This study examines how different structural choices in bulk microphysics schemes impact the simulation of warm rain initiation. A single liquid category (SLC) approach prognosing up to four moments of a single drop size distribution (DSD) is compared to the traditional two-category, two-moment approach with separate DSDs for cloud and rain (four total prognostic variables). Different methods for calculating tendencies of the prognostic variables from drop collision-coalescence are also tested: a discretized numerical-integration approach, machine learning via neural networks, lookup tables, and traditional power law fits. Relative to simulations using a bin microphysics model, SLC gives smaller error overall than the two-category approach when numerical integration is used to calculate the collision-coalescence tendencies for both. Replacing the numerical integration with a pre-computed lookup table reduces computational cost with little loss of accuracy. However, using fitted power laws with SLC to represent the collision-coalescence tendencies substantially reduces accuracy and leads to an order of magnitude increase in error. It is also demonstrated that with SLC, reasonably accurate solutions are obtained using only three prognostic moments, while a two-moment SLC scheme leads to substantial error. Overall, both the choice of prognostic moments (e.g., SLC vs. two-category) and method to calculate the collision-coalescence tendencies are important to consider for minimizing errors in bulk schemes. SLC with a sufficiently detailed calculation of the collision-coalescence tendencies provides accurate solutions for a reasonable computational cost, providing a viable alternative to the traditional two-category, two-moment approach for bulk microphysics.

320 (cloud physics and chemistry)↗
DOE OSTI2025

Classical Non-Markovian Noise in Symmetry-Preserving Quantum Dynamics

In quantum dynamics, symmetries are vital for identifying and assessing conserved quantities that govern the evolution of a quantum system. When promoted to the open quantum system setting, dynamical symmetries can be negatively altered by system-environment interactions, thus, complicating their analysis. Previous work on noisy symmetric quantum dynamics has focused on the Markovian setting, despite the ubiquity of non-Markovian noise in a number of widely used quantum technologies. Here, in this Letter, we develop a framework for quantifying the impact of non-Markovian noise on symmetric quantum evolution via root space decompositions and the filter function formalism. We demonstrate analytically that symmetry-preserving noise maintains the symmetric subspace, while nonsymmetric noise leads to highly specific leakage errors that are block diagonal in the symmetry representation. We support our findings with numerical studies of a transverse-field Ising model and a quantum error detecting code subject to spatiotemporally correlated multiaxis noise. Our results are broadly applicable, providing new analytic insights into the control and characterization of open quantum system dynamics.

decoherence↗
NASA NTRS1973

Mixed finite-difference scheme for analysis of simply supported thick plates.

A mixed finite-difference scheme is presented for the stress and free vibration analysis of simply supported nonhomogeneous and layered orthotropic thick plates. The analytical formulation is based on the linear, three-dimensional theory of orthotropic elasticity and a Fourier approach is used to reduce the governing equations to six first-order ordinary differential equations in the thickness coordinate. The governing equations possess a symmetric coefficient matrix and are free of derivatives of the elastic characteristics of the plate. In the finite difference discretization two interlacing grids are used for the different fundamental unknowns in such a way as to reduce both the local discretization error and the bandwidth of the resulting finite-difference field equations. Numerical studies are presented for the effects of reducing the interior and boundary discretization errors and of mesh refinement on the accuracy and convergence of solutions. It is shown that the proposed scheme, in addition to a number of other advantages, leads to highly accurate results, even when a small number of finite difference intervals is used.

Noor, A. K.↗
NASA NTRS1979

Computation of aerodynamic interference effects on oscillating airfoils with controls in ventilated subsonic wind tunnels

Lift interference effects are discussed based on Bland's (1968) integral equation. A mathematical existence theory is utilized for which convergence of the numerical method has been proved for general (square-integrable) downwashes. Airloads are computed using orthogonal airfoil polynomial pairs in conjunction with a collocation method which is numerically equivalent to Galerkin's method and complex least squares. Convergence exhibits exponentially decreasing error with the number n of collocation points for smooth downwashes, whereas errors are proportional to 1/n for discontinuous downwashes. The latter can be reduced to 1/n to the m+1 power with mth-order Richardson extrapolation (by using m = 2, hundredfold error reductions were obtained with only a 13% increase of computer time). Numerical results are presented showing acoustic resonance, as well as the effect of Mach number, ventilation, height-to-chord ratio, and mode shape on wind-tunnel interference. Excellent agreement with experiment is obtained in steady flow, and good agreement is obtained for unsteady flow.

Fromme, J. A.↗
NASA NTRS1984

Method for correction of errors in observation angles for limb thermal emission measurements

Thermal emission measurements of the earth's stratospheric limb from space platforms require an accurate knowledge of the observation angles for retrieval of temperature and constituent distributions. Without the use of expensive stabilizing systems, however, most observational instruments do not meet the required pointing accuracies, thus leading to large errors in the retrieval of atmospheric data. This paper describes a self-constituent method of correcting errors in pointing angles by using information contained in the observed spectrum. Numerical results based on temperature inversions of synthetic thermal emission spectra with assumed random errors in pointing angles are presented.

Abbas, M. M.↗
NASA NTRS1998

Conversion from Engineering Units to Telemetry Counts on Dryden Flight Simulators

Dryden real-time flight simulators encompass the simulation of pulse code modulation (PCM) telemetry signals. This paper presents a new method whereby the calibration polynomial (from first to sixth order), representing the conversion from counts to engineering units (EU), is numerically inverted in real time. The result is less than one-count error for valid EU inputs. The Newton-Raphson method is used to numerically invert the polynomial. A reverse linear interpolation between the EU limits is used to obtain an initial value for the desired telemetry count. The method presented here is not new. What is new is how classical numerical techniques are optimized to take advantage of modem computer power to perform the desired calculations in real time. This technique makes the method simple to understand and implement. There are no interpolation tables to store in memory as in traditional methods. The NASA F-15 simulation converts and transmits over 1000 parameters at 80 times/sec. This paper presents algorithm development, FORTRAN code, and performance results.

Fantini, Jay A.↗
DOE OSTI2024

Physics-preserving enriched Galerkin method for a fully-coupled thermo-poroelasticity model

This paper proposes a new numerical method for a fully-coupled, quasi-static thermo-poroelasticity model in a unified enriched Galerkin (EG) method framework. In our method, the mechanics sub-problem is solved using a locking-free EG method, and the flow and heat sub-problems are solved using a locally-conservative EG method. The proposed method offers mass and energy conservation properties with much lower costs than other methods with the same properties, including discontinuous Galerkin methods and mixed finite element methods. The well-posedness and optimal a priori error estimates are carefully derived. Here, several numerical tests confirm the theoretical optimal convergence rates and the mass and energy conservation properties of the new method.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

Optimal local truncation error method for 3-D elasticity interface problems

The paper deals with a new effective numerical technique on unfitted Cartesian meshes for simulations of heterogeneous elastic materials. Here, we develop the optimal local truncation error method (OLTEM) with 27- point stencils (similar to those for linear finite elements) for the 3-D time-independent elasticity equations with irregular interfaces. Only displacement unknowns at each internal Cartesian grid point are used. The interface conditions are added to the expression for the local truncation error and do not change the width of the stencils. The unknown stencil coefficients are calculated by the minimization of the local truncation error of the stencil equations and yield the optimal second order of accuracy for OLTEM with the 27-point stencils on unfitted Cartesian meshes. A new post-processing procedure for accurate stress calculations has been developed. Similar to basic computations it uses OLTEM with the 27-point stencils and the elasticity equations. The post-processing procedure can be easily extended to unstructured meshes and can be independently used with existing numerical techniques (e.g., with finite elements). Numerical experiments show that at an accuracy of 0.1% for stresses, OLTEM with the new post-processing procedure significantly (by 10 5 -10 9 times) reduces the number of degrees of freedom compared to linear finite elements. OLTEM with the 27-point stencils yields even more accurate results than high-order finite elements with wider stencils.

42 ENGINEERING↗
DOE OSTI2015

Verifying and Validating Simulation Models

This presentation is a high-level discussion of the Verification and Validation (V&V) of computational models. Definitions of V&V are given to emphasize that “validation” is never performed in a vacuum; it accounts, instead, for the current state-of-knowledge in the discipline considered. In particular comparisons between physical measurements and numerical predictions should account for their respective sources of uncertainty. The differences between error (bias), aleatoric uncertainty (randomness) and epistemic uncertainty (ignorance, lack-of- knowledge) are briefly discussed. Four types of uncertainty in physics and engineering are discussed: 1) experimental variability, 2) variability and randomness, 3) numerical uncertainty and 4) model-form uncertainty. Statistical sampling methods are available to propagate, and analyze, variability and randomness. Numerical uncertainty originates from the truncation error introduced by the discretization of partial differential equations in time and space. Model-form uncertainty is introduced by assumptions often formulated to render a complex problem more tractable and amenable to modeling and simulation. The discussion concludes with high-level guidance to assess the “credibility” of numerical simulations, which stems from the level of rigor with which these various sources of uncertainty are assessed and quantified.

Mathematics & Computing(97)↗
DOE OSTI2014

The zero-multipole summation method for estimating electrostatic interactions in molecular dynamics: Analysis of the accuracy and application to liquid systems

In the preceding paper [I. Fukuda, J. Chem. Phys. 139, 174107 (2013)], the zero-multipole (ZM) summation method was proposed for efficiently evaluating the electrostatic Coulombic interactions of a classical point charge system. The summation takes a simple pairwise form, but prevents the electrically non-neutral multipole states that may artificially be generated by a simple cutoff truncation, which often causes large energetic noises and significant artifacts. The purpose of this paper is to judge the ability of the ZM method by investigating the accuracy, parameter dependencies, and stability in applications to liquid systems. To conduct this, first, the energy-functional error was divided into three terms and each term was analyzed by a theoretical error-bound estimation. This estimation gave us a clear basis of the discussions on the numerical investigations. It also gave a new viewpoint between the excess energy error and the damping effect by the damping parameter. Second, with the aid of these analyses, the ZM method was evaluated based on molecular dynamics (MD) simulations of two fundamental liquid systems, a molten sodium-chlorine ion system and a pure water molecule system. In the ion system, the energy accuracy, compared with the Ewald summation, was better for a larger value of multipole moment l currently induced until l ≲ 3 on average. This accuracy improvement with increasing l is due to the enhancement of the excess-energy accuracy. However, this improvement is wholly effective in the total accuracy if the theoretical moment l is smaller than or equal to a system intrinsic moment L. The simulation results thus indicate L ∼ 3 in this system, and we observed less accuracy in l = 4. We demonstrated the origins of parameter dependencies appearing in the crossing behavior and the oscillations of the energy error curves. With raising the moment l we observed, smaller values of the damping parameter provided more accurate results and smoother behaviors with respect to cutoff length were obtained. These features can be explained, on the basis of the theoretical error analyses, such that the excess energy accuracy is improved with increasing l and that the total accuracy improvement within l ⩽ L is facilitated by a small damping parameter. Although the accuracy was fundamentally similar to the ion system, the bulk water system exhibited distinguishable quantitative behaviors. A smaller damping parameter was effective in all the practical cutoff distance, and this fact can be interpreted by the reduction of the excess subset. A lower moment was advantageous in the energy accuracy, where l = 1 was slightly superior to l = 2 in this system. However, the method with l = 2 (viz., the zero-quadrupole sum) gave accurate results for the radial distribution function. We confirmed the stability in the numerical integration for MD simulations employing the ZM scheme. This result is supported by the sufficient smoothness of the energy function. Along with the smoothness, the pairwise feature and the allowance of the atom-based cutoff mode on the energy formula lead to the exact zero total-force, ensuring the total-momentum conservations for typical MD equations of motion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

A convergence analysis of stochastic collocation method for Navier-Stokes equations with random input data

Stochastic collocation method has proved to be an efficient method and been widely applied to solve various partial differential equations with random input data, including Navier- Stokes equations. However, up to now, rigorous convergence analyses are limited to linear elliptic and parabolic equations; its performance for Navier-Stokes equations was demonstrated mostly by numerical experiments. In this paper, we provide an error analysis of stochastic collocation method for a semi-implicit Backward Euler discretization for NSE and prove the exponential decay of the interpolation error in the probability space. Our analysis indicates that due to the nonlinearity, as final time T increases and NSE solvers pile up, the accuracy may be reduced significantly. Subsequently, the theoretical results are illustrated by the numerical test of time dependent fluid flow around a bluff body.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

(Doublon) Benchmarking of Different Inverse Point Kinetics Implementations for an Autocorrected Reactimeter Algorithm

In November 2017, the Transient Reactor Test Facility returned to operation. Since that time, many transient test series have been completed, such as the Transient Heatsink Overpower Response capsule (THOR), the Transient Water Irradiation System for TREAT (TWIST), and Sirius. Each has provided valuable data for materials performance and reactor safety that can be applied in future designs. During each experimental series, detector count rates provided important information on the core behavior during transients. However, a limitation of these data is that variations in the neutron distribution during experiments can cause errors when attempting to infer reactivity evolution from detector signals. Neutron physics codes can be used to compute the flux shape variations. However, this is a poor solution when the experimental data is used for code verification, validation and uncertainty quantification. Indeed, if the output of the code is used both as a reference and to correct what the reference is compared to, the circular dependency limits the quality of the verification, validation and uncertainty quantification approach. To overcome this problem, the autocorrected reactimeter algorithm (ACRA) has been developed. This approach infers a time-dependent reactivity evolution by testing different spatial corrections and selecting the one that minimizes reactivity variations when the core is in a frozen configuration (i.e., when there is no variation in parameters affecting reactivity). However, the scope of this method was limited to transients where there were negligible thermal feedback. Indeed, the core is never in a frozen configuration when the fuel temperature varies during the whole transient. This is our motivation for developing an improved version of the ACRA that does not require frozen configurations. To develop this new algorithm, we need a precise and unbiased implementation of the inverse point kinetic equations (IPKEs) as any error in the reactivity evaluation will be propagated into the choice of the optimal spatial correction. Indeed, the previous reactimeter algorithm would use approximations, such as a negligible flux amplitude derivative, to focus on rapidity. For the numerical validation of ACRA, we aim at absolute error under for reactivity derived from signals similar to the one of this study. In this summary, we test eight different IPKE implementations. Each will process a mockup signal built for this study, similar to those that the future ACRA will process. Each reactivity output will be compared to the reference reactivity that has been used to generate the mockup signal. The implementation minimizing the difference with the reference reactivity will be used in the development of a new ACRA formulation.

73 - NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Stochastic Least-Squares Petrov--Galerkin Method for Parameterized Linear Systems

We consider the numerical solution of parameterized linear systems where the system matrix, the solution, and the right-hand side are parameterized by a set of uncertain input parameters. We explore spectral methods in which the solutions are approximated in a chosen finite-dimensional subspace. It has been shown that the stochastic Galerkin projection technique fails to minimize any measure of the solution error [A. Mugler and H.-J. Starkloff, ESAIM Math. Model. Numer. Anal., 47 (2013), pp. 1237--1263]. As a remedy for this, we propose a novel stochatic least-squares Petrov--Galerkin (LSPG) method. The proposed method is optimal in the sense that it produces the solution that minimizes a weighted $\ell^2$-norm of the residual over all solutions in a given finite-dimensional subspace. Moreover, the method can be adapted to minimize the solution error in different weighted $\ell^2$-norms by simply applying a weighting function within the least-squares formulation. In addition, a goal-oriented seminorm induced by an output quantity of interest can be minimized by defining a weighting function as a linear functional of the solution. We establish optimality and error bounds for the proposed method, and extensive numerical experiments show that the weighted LSPG method outperforms other spectral methods in minimizing corresponding target weighted norms.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2018

A Component-Level Model of Automatic Dependent Surveillance - Broadcast (ADS-B)

Automatic Dependent Surveillance – Broadcast (ADS-B) is being employed in numerous peer-to-peer initiatives attempting to expand the capacity of the National Airspace System (NAS) or enable mixed operations of manned and unmanned vehicles. Safety assessments of these initiatives rely, in part, on modeling the accuracy of ADS-B in reporting the position and direction of an ownship and surrounding traffic. Frequently, these initiatives utilize a position uncertainty model that applies a reported ADS-B estimation position uncertainty (EPU) value to a Rayleigh distribution and uses a Gauss-Markov random walk to add error to the ADS-B output of a vehicle. This model of ADS-B state error is easy to implement and apply to numerous problems. However, it has a couple of draw-backs. First, the ADS-B state errors are equally probable in all directions. This is a good assumption in situations where aircraft maneuvering is not constrained. However, in situations where the aircraft maneuvering is constrained such as landing, the error distribution is likely to exhibit directionality and the non-directional model may skew results especially when assessing very low probabilities (e.g., 10(exp -9)) of catastrophic encounters. Second, the model does not account for processing latency in the receiving aircraft. NASA Langley Research Center (LaRC) recently examined the feasibility of decreasing the spacing of aircraft on parallel approaches to runways separated by as little as 700 feet. For Monte-Carlo analysis using a high-fidelity simulation of a large transport, LaRC started with a Gauss-Markov model of ADS-B error but then developed a component level model of ADS-B error to increase the fidelity of results.

Madden, Michael M.↗
DOE OSTI2015

A Framework For Evaluating Comprehensive Fault Resilience Mechanisms In Numerical Programs

As HPC systems approach Exascale, their circuit feature will shrink, while their overall size will grow, all at a fixed power limit. These trends imply that soft faults in electronic circuits will become an increasingly significant problem for applications that run on these systems, causing them to occasionally crash or worse, silently return incorrect results. This is motivating extensive work on application resilience to such faults, ranging from generic techniques such as replication or checkpoint/restart to algorithm-specific error detection and resilience techniques. Effective use of such techniques requires a detailed understanding of (1) which vulnerable parts of the application are most worth protecting (2) the performance and resilience impact of fault resilience mechanisms on the application. This paper presents FaultTelescope, a tool that combines these two and generates actionable insights by presenting in an intuitive way application vulnerabilities and impact of fault resilience mechanisms on applications.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1983

A posteriori error indicators for the p-version of the finite element method

The existence of local a posteriori error indicators for the p-version of the finite element method is demonstrated through numerical examples. It is shown that it is possible to construct reliable error indicators from the residuums and tractions which have the same rate of convergence as the strain energy. The error indicators contribution of an element can be estimated by considering only the element and its immediate neighbors. The optimal sequence of p-distributions can be closely followed by the indicators even when there are only a very few elements, the elements vary greatly in size, the polynomial orders vary, the mesh grading is poor, and the smoothness indices and relative errors vary between wide limits.

Dunavant, D. A.↗
NASA NTRS1997

Computational Considerations for the Simulation of Discontinuous Flows

The numerical study of aeroacoustic problems places stringent demands on the choice of a computational algorithm, because it requires the ability to propagate disturbances of small amplitude and short wavelength. The demands are particularly high when shock waves are involved, because the chosen algorithm must also resolve discontinuities in the solution. In a previous work the capabilities and deficiencies of shock-capturing methods for aeroacoustic problems were demonstrated using a high-order essentially nonoscillatory (ENO) numerical method. It was shown that first-order results are obtained when simulating time-dependent flows with discontinuities. The present study reaffirms this conclusion by comparing the ENO results with those obtained using a conventional linear scheme. A sixth-order-accurate compact implicit finite difference scheme is used to investigate various discontinuous flows. The design order of accuracy is achieved in the smooth regions of a steady-state, quasi-one-dimensional Euler test case, as well as in the time-dependent Burgers' equation. However, in the unsteady Euler sound-shock interaction, first-order results are obtained downstream of the shock. A comparison is made between the linear and nonlinear results, noting the advantages of each method. A discontinuous linear model problem is then used to identify the cause of the first-order results. Here, the nature of the solution error is quantified as being predominantly a numerical phase shift, and a post-processing procedure is demonstrated which increases the solution accuracy downstream of the discontinuity to second-order.

Carpenter Mark H.↗
NASA NTRS2005

Cross Section Sensitivity and Propagated Errors in HZE Exposures

It has long been recognized that galactic cosmic rays are of such high energy that they tend to pass through available shielding materials resulting in exposure of astronauts and equipment within space vehicles and habitats. Any protection provided by shielding materials result not so much from stopping such particles but by changing their physical character in interaction with shielding material nuclei forming, hopefully, less dangerous species. Clearly, the fidelity of the nuclear cross-sections is essential to correct specification of shield design and sensitivity to cross-section error is important in guiding experimental validation of cross-section models and database. We examine the Boltzmann transport equation which is used to calculate dose equivalent during solar minimum, with units (cSv/yr), associated with various depths of shielding materials. The dose equivalent is a weighted sum of contributions from neutrons, protons, light ions, medium ions and heavy ions. We investigate the sensitivity of dose equivalent calculations due to errors in nuclear fragmentation cross-sections. We do this error analysis for all possible projectile-fragment combinations (14,365 such combinations) to estimate the sensitivity of the shielding calculations to errors in the nuclear fragmentation cross-sections. Numerical differentiation with respect to the cross-sections will be evaluated in a broad class of materials including polyethylene, aluminum and copper. We will identify the most important cross-sections for further experimental study and evaluate their impact on propagated errors in shielding estimates.

Heinbockel, John H.↗