Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “applied computing”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
NASA NTRS1979

Numerical computation of aeroelastically corrected transonic loads

A numerical scheme is presented for the computation of transonic aerodynamic loads on flexible wings. The method consists of iteratively applying the loads computed by a 3D transonic aerodynamics code to a structural model to obtain elastic twist, and then recomputing the loads. Because this iteration is performed concurrently with the iterations performed in computing the aerodynamics, flexible loads are obtained in roughly the same amount of computing time as required to obtain rigid loads. Applications of this method to a flexible supercritical transonic transport wing are presented and compared with model test data.

Chipman, R.↗
DOE OSTI2024

UMap: An application-oriented user level memory mapping library

Exploiting the prominent role of complex memories in exascale node architecture, the UMap page fault handler offers new capabilities to access large memory-mapped data sets directly. UMap provides flexible configuration options to customize page handling to each application, including analysis of massive observational and simulation data sets. The high-performance design features I/O decoupling, dynamic load balancing, and application-level controls. Page faults triggered by application threads and processes accessing data mapped to a UMapp’ed region are handled via the Linux userfaultfd protocol, an asynchronous message-oriented kernel-user communication mechanism that avoids the context switch penalty of traditional signal fault handlers. UMap is fully open source. In this paper, we give an overview of the UMap library architecture, its extensible plugin architecture, and the use/performance of UMap in emerging heterogeneous memory hierarchies such as near-node Non-volatile Memory (NVM) and network attached memories. We highlight new capabilities in two pagefault management plugins, the NetworkStore and SparseStore. We demonstrate the integration between UMap and multiple ECP products including Caliper, Metall, ZFP, Mochi, and Ripples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Memcomputing the Spectrum of Correlated Quantum Systems

The goals and objectives of the grant DE‐SC0020892 were to apply a new computing paradigm, MemComputing, to efficiently simulate properties of correlated quantum systems. The method has been applied to a wide set of problems ranging from quantum state tomography to finding the ground state of correlated systems. In all cases, substantial advantages compared to state-of-the-art approaches have been obtained. The project has also led to the suggestion of the transformer architecture (used nowadays in large-language models) as an efficient quantum state representation, and a better understanding of the role of memory in the generation of long-range order in neural networks. This grant has supported the work of a PhD student, inspired a new class on unconventional computing taught at the University of California, San Diego and has generated several peer-reviewed papers.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1987

Applications of Wynn's epsilon-algorithm to transonic flow-calculations

Convergence acceleration of iterative solutions of potential and Euler equations, based on Wynn's epsilon-algorithm, is demonstrated. The extra computational work, to apply the technique, is negligible, while the storage requirement is definitely affordable with the present computers, at least, for two-dimensional inviscid flow problems.

Hafez, M.↗
DOE OSTI2024

Landau Singularities Revisited: Computational Algebraic Geometry for Feynman Integrals

We reformulate the analysis of singularities of Feynman integrals in a way that can be practically applied to perturbative computations in the standard model in dimensional regularization. After highlighting issues in the textbook treatment of Landau singularities, we develop an algorithm for classifying and computing them using techniques from computational algebraic geometry. We introduce an algebraic variety called the principal Landau determinant, which captures the singularities even in the presence of massless particles or UV/IR divergences. We illustrate this for 114 example diagrams, including a cutting-edge 2-loop 5-point nonplanar QCD process with multiple mass scales. Published by the American Physical Society 2024

Physics↗
NASA NTRS1980

An Accurate Method for Computing the Absorption of Solar Radiation by Water Vapor

The method is based upon molecular line parameters and makes use of a far wing scaling approximation and k distribution approach previously applied to the computation of the infrared cooling rate due to water vapor. Taking into account the wave number dependence of the incident solar flux, the solar heating rate is computed for the entire water vapor spectrum and for individual absorption bands. The accuracy of the method is tested against line by line calculations. The method introduces a maximum error of 0.06 C/day. The method has the additional advantage over previous methods in that it can be applied to any portion of the spectral region containing the water vapor bands. The integrated absorptances and line intensities computed from the molecular line parameters were compared with laboratory measurements. The comparison reveals that, among the three different sources, absorptance is the largest for the laboratory measurements.

Chou, M. D.↗
NASA NTRS1981

Pilot guidance and display considerations for energy efficient flight profiles

Two computer programs are applied to energy efficient flight operation in order to minimize aircraft operating costs. One algorithm (OPTIM) computes vertical flight profiles which optimize direct operating costs, including fuel and time costs, for an aircraft flying over a fixed range and with a fixed time-of-arrival. The second program (TRAGEN) simulates an aircraft steered to fly along a specified vertical flight trajectory, in order to examine fuel and cost penalties involved in flying nonoptimal trajectories. Constraints such as air traffic control procedures, and atmospheric and weight conditions are considered and supported by graphs and diagrams. The use of the algorithms as preflight planning tools is discussed, emphasizing OPTIM's future application for on-board energy management. Finally, research questions concerning pilot guidance and display considerations for advanced energy/flight management systems are addressed.

Samms, K. H.↗
NASA NTRS1973

A method of billing third generation computer users

A method is presented for charging users for the processing of their applications on third generation digital computer systems is presented. For background purposes, problems and goals in billing on third generation systems are discussed. Detailed formulas are derived based on expected utilization and computer component cost. These formulas are then applied to a specific computer system (UNIVAC 1108). The method, although possessing some weaknesses, is presented as a definite improvement over use of second generation billing methods.

Anderson, P. N.↗
DOE OSTI2023

Accelerating Scientific Simulations with Bi-Fidelity Weighted Transfer Learning

High-fidelity modeling is an essential design tool for many engineering applications. However, for complex systems, computational cost can be a limiting factor. Analyzing parameter sensitivity, uncertainty quantification, and design optimization require many model evaluations. Surrogate models are often used to develop the relationship between model parameters and quantities of interest. However, in the case of complex systems, surrogate models require several degrees of freedom and, thus, a large number of data points to determine the correct dependencies. For many applications, this may be prohibitively expensive. The reduction of computational requirements can be achieved by leveraging low-fidelity models. Low-fidelity models represent the system at a coarser resolution with the advantage of computational efficiency. Therefore, a bi-fidelity modeling paradigm, which augments the accuracy of a low-fidelity model in a computationally efficient manner by invoking limited runs of a high-fidelity model, can be leveraged to sufficiently balance the accuracy and computational requirements. In this work, a bi-fidelity weighted transfer learning method using neural networks was applied to a computational fluid dynamics heat transfer modeling problem. The transfer learning advantage was investigated as a function of hyperparameters. Our main finding is that the use of a bi-fidelity modeling paradigm achieves accuracy close to that of a high-fidelity Gaussian process model while significantly reducing computational cost. The bi-fidelity model achieves comparable performance with 90 high-fidelity samples-that is, 60% less than the samples needed to achieve similar accuracy without the use of bi-fidelity modeling,

Borowiec, Katarzyna↗
NASA NTRS1995

Incompressible Navier-Stokes Simulation Procedure for a Wingtip Vortex Flow Analysis

The pacing items to reach the highly desirable goal of obtaining computationally accurate flow simulation of a wingtip vortex include; super-computer development, solver accuracy, grid generation and turbulence modeling. In these four areas, many advances have been made but the fact remains that most wing computations are, at best, five percent accurate (in drag coefficient, for example). This level of accuracy has been sufficient for many purposes such as airfoil design, rudimentary wing design, and some forms of optimization. However, this accuracy level will not allow commercial aircraft designers to extract the remaining few percent of efficiency theoretically possible for conventional aircraft configurations. Thus further research is needed, particularly in the areas of solver development and turbulence modeling, to advance the state of the art of viscous computational techniques as applied to problems in aerodynamics. During the course of this study, a substantial amount of measured and computed results have been acquired. In this paper, only a small selection of experimental and computational results will be presented. This paper will outline and discuss a simulation procedure for a wingtip vortex flow analysis using the method of artificial compressibility to solve the three-dimensional, incompressible, Navier-Stokes equations (INS3D-UP).

Jennifer Dacles-Mariani↗
NASA NTRS2023

Real Options Analysis for Valuation of Climate Adaptation Pathways With Application to Transit Infrastructure

Climate change and sea level rise (SLR) are expected to increase the frequency and intensity of coastal flood events, posing risks to coastal communities and infrastructure. While regional climate adaptation investments can provide substantive flood protection, existing plans often neglect uncertainty in future climate conditions and adaptation performance, consequently neglecting the option value of flexibly implementing proposed projects. Addressing this gap, we develop and employ a generalizable real options analysis (ROA) valuation framework that considers how uncertainty in adaptation project costs, SLR, flood severity, and flood losses inform the full range of adaptation performance outcomes. We further propose and apply a novel, computationally efficient flood loss sampling algorithm to estimate the consequences of randomly arriving coastal flood events. We apply this ROA framework to assess the option value of flexibly timing adaptation investments over time, investigating an adaptation pathway proposed by the City of Boston from the perspective of the regional transit system manager. Our results suggest that flexible implementation can provide significant option value in the near-to mid-term(>30 years), with highest option values under low-probability, high consequence scenarios. Our results also suggest adaptation pathway performance in the latter half of the 21stcenturyis most sensitive to uncertainty in sea level rise, flood loss estimates, and flood frequency, underscoring the importance of uncertainty quantification in the long-term valuation of adaptation investments.

Michael V. Martello↗
NASA NTRS2011

NASA Aerosciences Activities to Support Human Space Flight

The Lyndon B. Johnson Space Center (JSC) has been a critical element of the United State's human space flight program for over 50 years. It is the home to NASA s Mission Control Center, the astronaut corps, and many major programs and projects including the Space Shuttle Program, International Space Station Program, and the Orion Project. As part of JSC's Engineering Directorate, the Applied Aeroscience and Computational Fluid Dynamics Branch is charted to provide aerosciences support to all human spacecraft designs and missions for all phases of flight, including ascent, exo-atmospheric, and entry. The presentation will review past and current aeroscience applications and how NASA works to apply a balanced philosophy that leverages ground testing, computational modeling and simulation, and flight testing, to develop and validate related products. The speaker will address associated aspects of aerodynamics, aerothermodynamics, rarefied gas dynamics, and decelerator systems, involving both spacecraft vehicle design and analysis, and operational mission support. From these examples some of NASA leading aerosciences challenges will be identified. These challenges will be used to provide foundational motivation for the development of specific advanced modeling and simulation capabilities, and will also be used to highlight how development activities are increasing becoming more aligned with flight projects. NASA s efforts to apply principles of innovation and inclusion towards improving its ability to support the myriad of vehicle design and operational challenges will also be briefly reviewed.

LeBeau, Gerald J.↗
DOE OSTI2021

Cloud droplet diffusional growth in homogeneous isotropic turbulence: bin microphysics versus Lagrangian super-droplet simulations

The increase in the spectral width of an initially monodisperse population of cloud droplets in homogeneous isotropic turbulence is investigated by applying a finite-difference fluid flow model combined with either Eulerian bin microphysics or a Lagrangian particle-based scheme. The turbulence is forced applying a variant of the so-called linear forcing method that maintains the mean turbulent kinetic energy (TKE) and the TKE partitioning between velocity components. The latter is important for maintaining the quasi-steady forcing of the supersaturation fluctuations that drive the increase in the spectral width. We apply a large computational domain (64 3 m 3 ), one of the domains considered in Thomas et al. (2020). The simulations apply 1 m grid length and are in the spirit of the implicit large eddy simulation (ILES), that is, with small-scale dissipation provided by the model numerics. This is in contrast to the scaled-up direct numerical simulation (DNS) applied in Thomas et al. (2020). Two TKE intensities and three different droplet concentrations are considered. Analytic solutions derived in Sardina et al. (2015), valid for the case when the turbulence integral timescale is much larger than the droplet phase relaxation timescale, are used to guide the comparison between the two microphysics simulation techniques. The Lagrangian approach reproduces the scalings relatively well. Representing the spectral width increase in time is more challenging for the bin microphysics because appropriately high resolution in the bin space is needed. The bin width of 0.5 µm is only sufficient for the lowest droplet concentration (26 cm -3 ). For the highest droplet concentration (650 cm -3 ), an order of magnitude smaller bin size is barely sufficient. The scalings are not expected to be valid for the lowest droplet concentration and the high-TKE case, and the two microphysics schemes represent similar departures. Finally, because the fluid flow is the same for all simulations featuring either low or high TKE, one can compare point-by-point simulation results. Such a comparison shows very close temperature and water vapor point-by-point values across the computational domain and larger differences between simulated mean droplet radii and spectral width. The latter are explained by fundamental differences in the two simulation methodologies, numerical diffusion in the Eulerian bin approach and a relatively small number of Lagrangian particles that are used in the particle-based microphysics.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2000

Radiative Transfer and Satellite Remote Sensing of Cirrus Clouds Using FIRE-2-IFO Data

Under the support of the NASA grant, we have developed a new geometric-optics model (GOM2) for the calculation of the single-scattering and polarization properties for arbitrarily oriented hexagonal ice crystals. From comparisons with the results computed by the finite difference time domain (FDTD) method, we show that the novel geometric-optics can be applied to the computation of the extinction cross section and single-scattering albedo for ice crystals with size parameters along the minimum dimension as small as approximately 6. We demonstrate that the present model converges to the conventional ray tracing method for large size parameters and produces single-scattering results close to those computed by the FDTD method for size parameters along the minimum dimension smaller than approximately 20. We demonstrate that neither the conventional geometric optics method nor the Lorenz-Mie theory can be used to approximate the scattering, absorption, and polarization features for hexagonal ice crystals with size parameters from approximately 5 to 20. On the satellite remote sensing algorithm development and validation, we have developed a numerical scheme to identify multilayer cirrus cloud systems using AVHRR data. We have applied this scheme to the satellite data collected over the FIRE-2-IFO area during nine overpasses within seven observation dates. Determination of the threshold values used in the detection scheme are based on statistical analyses of these satellite data.

Source record↗
NASA NTRS1983

Finite element computational fluid mechanics

Finite element analysis as applied to the broad spectrum of computational fluid mechanics is analyzed. The finite element solution methodology is derived, developed, and applied directly to the differential equation systems governing classes of problems in fluid mechanics. The heat conduction equation is used to reveal the essence and elegance of finite element theory, including higher order accuracy and convergence. The algorithm is extended to the pervasive nonlinearity of the Navier-Stokes equations. A specific fluid mechanics problem class is analyzed with an even mix of theory and applications, including turbulence closure and the solution of turbulent flows.

Baker, A. J.↗
DOE OSTI2021

The LSBmax algorithm for boosting resilience of electric grids post (N‐2) contingencies

Abstract A computationally improved algorithm is presented to find the best transmission switching (TS) candidate for boosting resilience of electricity grids subject to ( N ‐2) contingencies. Here, resilience is computed as the reduction in load shed after the above‐mentioned ( N‐ ) contingencies. TS is a planned line outage, and past research shows that changing the transmission system's topology changes the power flow and removes post contingency violations. Finding the best TS candidate in a computationally suitable time for effectively boosting resilience is a challenge. The best TS candidate is found using a novel heuristic method by decreasing the search space based on proximity to the bus with the maximum load shedding (LSB). The LSB algorithm is faster than existing algorithms in the literature; and, it is compatible with both the AC and DC optimal power flow formulations. To validate the authors' claims of speedup and accuracy, two metrics are used to analyze the results from the IEEE 39‐bus and 118‐bus systems. Finally, the inherent parallelism of the LSB algorithm is leveraged on a high‐performance computing platform and applied to the large‐scale Polish 2383‐bus test system to validate scalability in both size and speedup in computation time.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Reduced scaling formulation of CASPT2 analytical gradients using the supporting subspace method

We present a reduced scaling and exact reformulation of state specific complete active space second-order perturbation (CASPT2) analytical gradients in terms of the MP2 and Fock derivatives using the supporting subspace method. This work follows naturally from the supporting subspace formulation of the CASPT2 energy in terms of the MP2 energy using dressed orbitals and Fock builds. For a given active space configuration, the terms corresponding to the MP2-gradient can be evaluated with O(N5) operations, while the rest of the calculations can be computed with O(N3) operations using Fock builds, Fock gradients, and linear algebra. When tensor-hyper-contraction is applied simultaneously, the computational cost can be further reduced to O(N4) for a fixed active space size. The new formulation enables efficient implementation of CASPT2 analytical gradients by leveraging the existing graphical processing unit (GPU)-based MP2 and Fock routines. We present benchmark results that demonstrate the accuracy and performance of the new method. Example applications of the new method in ab initio molecular dynamics simulation and constrained geometry optimization are given.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Unifying Combinatorial and Graphical Methods in Artificial Intelligence

Recently, a new graph Laplacian, called the inner product Laplacian, was introduced which generalizes many existing Laplacians, including the normalized and combinatorial Laplacian and their weighted variants. The key observation behind the inner product Laplacian is that by defining appropriate inner product spaces on the vertices and edges, the standard Laplacians can be recovered as Hodge Laplacians over the simplicial complex formed by the edges and vertices. These inner product spaces form a natural way to incorporate non-combinatorial information into the definition of a domain-specific Laplacian. In particular, in contrast to current domain-specific weighting schemes which rely solely on edge weights, information regarding the similarity of non-adjacent vertices and arbitrary pairs of edges can be effectively incorporated into the Laplacian. In order to illustrate this approach we consider the problem of calculating the potential energy of an atomistic configuration using Graph Neural Networks. In comparison with start-of-the-art approaches, such as SchNet, our approach replaces a learned (via auto-encoder) representation of the atom types with an inner product space on atoms based on scientific knowledge (e.g., electronegativity). We will illustrate how this approach captures key chemical properties of the molecules and compare the energy calculations with state-of-the-art neural network approaches. However, to compute the resulting Laplacian involves a mixture of sparse and dense matrix computation and yields a dense matrix as the basis for the graph convolution. This dense convolutional kernel necessitates moving away from the standard message passing framework for graph neural networks and increases the computational cost of applying the kernel. In order to mitigate these costs we investigate means of leveraging the mixed sparse and dense computations to reduce the overall computational cost and how these approaches can be automatically transferred to energy efficient hardware (e.g., field programmable gate arrays (FPGAs)).

97 MATHEMATICS AND COMPUTING↗