SEARCH · Engineering Papers

Results for “numerical continuation”

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.

SourceResearch connectionFrom yearThrough year

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

At least 1,171 records · Page 65

All sources NASA NTRS DOE OSTI

NASA NTRS2015

Numerical Calibration of Mass Flow Plug for Inlet Testing

A simple control volume model has been developed to calculate the discharge coefficient through a mass flow plug (MFP) and validated with a calibration experiment. The maximum error of the model within the operating region of the MFP is 0.54%. The control volume analysis developed work is comprised of a sequence of flow calculations through the MFP. The model uses the MFP geometry and operating pressure and temperature to couple continuity, momentum, energy, an equation of state, and wall shear. The discharge coefficient calculation also includes the effects of boundary layer growth, including the reduction in cross-sectional flow area as characterized by the boundary layer displacement thickness. The last calculation in the sequence uses an integral method to calculate the growth of the boundary layer, from which the displacement thickness is then determined. The result of these successive calculations is an accurate one-dimension model of the velocity, pressure, and temperature through the MFP. For comparison, a computational fluid dynamic (CFD) calibration is shown, which when compared to the presented numerical model, had a lower accuracy with a maximum error of 1.35% in addition to being slower by a factor of 100."

Flow Measurement↗

DOE OSTI2023

A conservative Galerkin solver for the quasilinear diffusion model in magnetized plasmas

We propose a conservative Galerkin scheme for the quasilinear model in three-dimensional momentum space and three-dimensional spectral space, with cylindrical symmetry. We construct an unconditionally conservative weak form and use a discretization that preserves conservation properties independent of the wave emission probability. The discrete operators, combined with a consistent quadrature rule, preserve all the conservation laws rigorously. The proposed scheme is quite general: it works for both relativistic and non-relativistic systems, for both magnetized and unmagnetized plasmas, and even for problems with time-dependent dispersion relations. We represent the particle distribution by continuous basis functions and use discontinuous basis functions for the wave spectral energy density, which enables the application of a positivity-preserving technique. We adopt the marching simplex algorithm, designed initially for computer graphics, for numerical integration on the resonance manifold. Furthermore, the numerical examples with a bump-on-tail initial configuration show how the unstable waves produce strong momentum space diffusion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Advances in solid-state NMR for the studies of mesoporous solids: fast magic spinning and dynamic nuclear polarization

Here, this review provides an up-to-date account of the development of two solid-state (SS)NMR methods for enhancing resolution and sensitivity, fast magic angle spinning (MAS) and dynamic nuclear polarization (DNP), and the resulting progress in surface science. We demonstrate the high resolution and efficiency that can be achieved by using two-dimensional homo- and heteronuclear correlation experiments with small rotors capable of MAS at rates exceeding 100 kHz. DNP has offered significant enhancements in signal sensitivity and allowed access to nuclei and experiments that are beyond the limits of conventional SSNMR. The continuing progress in fast MAS and DNP methodologies in recent years generated an unprecedented shift in SSNMR’s capabilities in the studies of surface and interface regions of solids, especially mesoporous supports and catalysts. We give numerous examples of recent applications and discuss the prospects for further improvements of both methods.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

High-pressure and temperature neural network reactive force field for energetic materials

Reactive force fields for molecular dynamics have enabled a wide range of studies in numerous material classes. These force fields are computationally inexpensive compared with electronic structure calculations and allow for simulations of millions of atoms. However, the accuracy of traditional force fields is limited by their functional forms, preventing continual refinement and improvement. Therefore, we develop a neural network-based reactive interatomic potential for the prediction of the mechanical, thermal, and chemical responses of energetic materials at extreme conditions. The training set is expanded in an automatic iterative approach and consists of various CHNO materials and their reactions under ambient and shock-loading conditions. Further, this new potential shows improved accuracy over the current state-of-the-art force fields for a wide range of properties such as detonation performance, decomposition product formation, and vibrational spectra under ambient and shock-loading conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Basic Research Needs in The Science of Scientific Software Development and Use: Investment in Software is Investment in Science

Increasingly powerful and affordable computing has revolutionized scientific and scholarly discovery across a broad range of fields. Computing relies on software, which has been rapidly growing in scope, diversity, and complexity. At the same time, the methods, processes, and tools used to produce and utilize this essential software are often ad hoc, and the study and improvement of them are often done without the benefit of direct funding or prioritization. Consequently, concerns are growing about the productivity of the developers and users of scientific software, its sustainability, and the trustworthiness of the results that it produces. Increased investment, especially in the characterization and improvement of how scientific software is developed and used, is important for sustaining and improving the impact of software as the scope and complexity of scientific efforts expand. Without this investment, we face the risk of diminishing returns on our software investments because the demands for increased functionality, usability, reliability, and more will not be sufficiently met. The US Department of Energy Office of Science (DOE/SC) is at the forefront of modern software-enabled scientific discovery across numerous areas of computational, experimental, and observational science, including major investments in national user facilities that support these activities. For many years, DOE/SC software investments have provided tremendous value to the scientific community. We want to continue and further improve the value of DOE/SC software efforts by using a scientific approach to understanding and improving how scientific software is developed and used. In December 2021, the DOE/SC Office of Advanced Scientific Computing Research (ASCR) convened a workshop on basic research needs for the Science of Scientific-Software Development and Use (SSSDU). Through keynote presentations, lightning talks, and breakout groups, which built on insights from 124 pre-workshop position papers, participants discussed the current practice of software development, maintenance, evolution, and use, and considered how the scientific method could be used to examine these practices and develop more evidence-based approaches to enhance the impact of software and computing on all areas of science. Workshop participants identified three priority research directions (PRDs) and three important crosscutting themes that center on the following overarching insight: Software has become an essential part of modern science, impacting discoveries, policy, and technological development. To maintain and improve confidence in science delivered via software, we must improve the processes and tools that help us create and use software, and this enhancement requires a deep understanding of the diverse array of teams and individuals doing the work.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

CORE-CM in The Greater Green River and Wind River Basins: Transforming and Advancing a National Coal Asset (Final Report)

The following document summarizes project results from “CORE-CM in the Greater Green River and Wind River Basins: Transforming and Advancing a National Coal Asset”. This project is part of the U.S. Department of Energy’s (“DOE”) National Energy Technology Laboratory’s (“NETL”) Carbon Ore, Rare Earth Elements, and Critical Minerals (CORE-CM) Initiative. This report concludes that the Greater Green River and Wind River Basins (GGRB-WRB) Area-of-Interest (AOI 9) is the ideal region for continued research and development in progressing the broader CORE-CM goals outlined by the DOE. Based upon the extensive analyses of technical, social, and community criteria, this report illustrates that the GGRB-WRB hosts numerous potential CORE-CM feedstocks (both coal- and non-coal based), diverse opportunities for utilizing existing industrial waste streams, ample infrastructure and industry to support new CORE-CM-focused technologies, and a highly motivated, well educated, and adaptable workforce to further develop the regional and national CORE-CM supply chain. Additionally, some potential solutions for technological gaps suggest that the GGRB-WRB's diverse resources can play a significant role in achieving the national goal of critical materials independence. With full community participation, meaningful involvement of regional Tribal Nations, and building upon the stakeholder engagement demonstrated here, the GGRB-WRB region presents a unique opportunity for advancing the CORE-CM Initiative. This project was designed to bring together coal-based communities and stakeholders from across the GGRB-WRB to advance new industries for CORE-CM resources. The University of Wyoming (UWyo) School of Energy Resources (SER) led a project team of experts from the Colorado Geological Survey (CGS), Colorado School of Mines (CSM), Los Alamos National Lab (LANL), and local community colleges. Input from basinal, regional, and national experts bolstered the coalition in order to advance the mission of DOE’s CORE-CM initiative and develop the domestic CORE-CM supply chain. Phase I of this project was designed to address the goal of developing and catalyzing economic growth, job creation, and technology innovation in the GGRB-WRB of Wyoming and Colorado, by increasing the supply of CORE-CM to manufacturers of non-fuel Carbon Based Products (CBP) and products reliant upon CM. The GGRB-WRB CORE-CM project worked toward providing benefit through several avenues of performance and research. • Develop a coalition team to achieve project objectives • Complete detailed assessments, including State-of-the-Art (SOTA) Data acquisition of potential CORE-CM materials across the AOI, and meaningfully contributes to DOE’s CORE-CM goals nationally. • Strategic planning for regional economic growth, job creation, and associated technology innovation around coal materials, including plans to maximize the development of potential CORE-CM resources and technology by creating regional public-private partnerships. • Define regional economic growth potential around existing strengths, energy infrastructure, business and industry, including planning for the leveraging of highly trained workforces, existing and novel coal technologies, and energy infrastructure in development of CORE-CM supply chains. • Develop a preliminary strategic plan for increasing the supply of CORE-CM materials to manufacturers of non-fuel Carbon Based Products (CBP) and products reliant upon CM, focusing on regional strengths that result in an emerging diversified CORE-CM economy. • Assemble a committed network of stakeholders and communities that learn about, accept, and grow new energy technologies within coal regions. Additionally, the project team significantly contributed to the CORE-CM Initiative’s national goals, through cross-regional scoping, collaborating with CORE-CM projects in other AOIs, and including parallel regional project experts. In addition to active inclusion and meaningful engagement and contribution to DOE-led working groups, the project team focused on engaging with regional communities including Tribal Nations, economic development groups, and regional government organizations. The project’s CORE-CM development and commercialization plan identified diverse CORECM feedstocks, potential routes towards integration with existing industries, methods for supply-chain development that leverage existing infrastructure and businesses considering the regional economy, identified entry barriers for incorporating traditional and new technologies in those supply chains, recognized opportunities for public-private partnerships to develop technology innovation centers, identified diverse workforces, and conducted stakeholder outreach and education to build a community of understanding on CORE-CM potential in the GGRB-WRB region. Detailed task descriptions can be found in each chapter.

01 COAL, LIGNITE, AND PEAT↗

NASA NTRS1974

Low thrust space vehicle trajectory optimization using regularized variables

Optimizing the trajectory of a low thrust space vehicle usually means solving a nonlinear two point boundary value problem. In general, accuracy requirements necessitate extensive computation times. In celestial mechanics, regularizing transformations of the equations of motion are used to eliminate computational and analytical problems that occur during close approaches to gravitational force centers. It was shown in previous investigations that regularization in the formulation of the trajectory optimization problem may reduce the computation time. In this study, a set of regularized equations describing the optimal trajectory of a continuously thrusting space vehicle is derived. The computational characteristics of the set are investigated and compared to the classical Newtonian unregularized set of equations. The comparison is made for low thrust, minimum time, escape trajectories and numerical calculations of Keplerian orbits. The comparison indicates that in the cases investigated for bad initial guesses of the known boundary values a remarkable reduction in the computation time was achieved. Furthermore, the investigated set of regularized equations shows high numerical stability even for long duration flights and is less sensitive to errors in the guesses of the unknown boundary values.

Schwenzfeger, K. J.↗

NASA NTRS1981

Static and dynamic characteristics of large deployable space reflectors

A linear numerical model of the structural characteristics of deployable reflectors was developed. Due to cyclic symmetry of the reflector structure about its axis, only one of many segments is modeled using finite elements. The succeeding segments satisfy continuity of displacement and slope at the interface between consecutive segments. This process leads to (N/2+1) static or dynamic problems of smaller order and bandwidth where N is the number of segments. The solution of each reduced problem leads to motions having a distinct circumferential wave number. The dynamic coupling to the feed support structure is studied adopting modal synthesis.

El-Raheb, M.↗

NASA NTRS1985

A homotopy continuation method for general preliminary orbit determination and special application to the Tracking and Data Relay Satellite System

A recent mathematical technique for solving systems of equations is applied in a very general way to the orbit determination problem. The use of this technique, the homotopy continuation method, was motivated by the possible need to perform preliminary orbit determination in the Tracking and Data Relay Satellite System (TDRSS), using range and Doppler tracking alone. In the formulation studied here, a set of six tracking observations is continuously transformed from a set with known solutions to the given set with unknown solutions, and the corresponding orbit state vector is followed from the a priori orbit state to the solution orbit states. A modular numerical algorithm is developed to follow the state vector. The technique is formulated and then tested, using both real and simulated tracking, with positive results. Direct comparisons show that the basic method has a much larger radius of convergence than standard or simply modified Newton-Raphson methods. An extension of the basic method is formulated that is expected to produce a global method.

Smith, R. L.↗

NASA NTRS1986

Active hold-down for heat treating

The object of the disclosure is to provide a vacuum hold-down for holding thin sheets to a support surface, which permits the thin sheet to change dimensions as it is held down. The hold-down includes numerous holes in the support surface, through which a vacuum is applied from a vacuum source. The holes are arranged in zones. The vacuum is repeatedly interrupted at only one or a few zones, while it continues to be applied to other zones, to allow the workpiece to creep along that interrupted zone. The vacuum to different zones is interrupted at different times, as by a slowly turning valve number, to allow each zone of the workpiece to creep. A positive pressure may be applied from a pressured air source to a zone when the vacuum is interrupted there, to help lift the corresponding workpiece zone off the surface to aid in creeping. The workpiece may undergo dimensional changes because of heating, cooling, drying, or other procedure.

Collins, E. R., Jr.↗

NASA NTRS1989

A space-time discretization procedure for wave propagation problems

Higher order compact algorithms are developed for the numerical simulation of wave propagation by using the concept of a discrete dispersion relation. The dispersion relation is the imprint of any linear operator in space-time. The discrete dispersion relation is derived from the continuous dispersion relation by examining the process by which locally plane waves propagate through a chosen grid. The exponential structure of the discrete dispersion relation suggests an efficient splitting of convective and diffusive terms for dissipative waves. Fourth- and eighth-order convection schemes are examined that involve only three or five spatial grid points. These algorithms are subject to the same restrictions that govern the use of dispersion relations in the constructions of asymptotic expansions to nonlinear evolution equations. A new eighth-order scheme is developed that is exact for Courant numbers of 1, 2, 3, and 4. Examples are given of a pulse and step wave with a small amount of physical diffusion.

Davis, Sanford↗

NASA NTRS1992

Model reduction using new optimal Routh approximant technique

An optimal Routh approximant of a single-input single-output dynamic system is a reduced-order transfer function of which the denominator is obtained by the Routh approximation method while the numerator is determined by minimizing a time-response integral-squared-error (ISE) criterion. In this paper, a new elegant approach is presented for obtaining the optimal Routh approximants for linear time-invariant continuous-time systems. The approach is based on the Routh canonical expansion, which is a finite-term orthogonal series of rational basis functions, and minimization of the ISE criterion. A procedure for combining the above approach with the bilinear transformation is also presented in order to obtain the optimal bilinear Routh approximants of linear time-invariant discrete-time systems. The proposed technique is simple in formulation and is amenable to practical implementation.

Hwang, Chyi↗

NASA NTRS1992

Gamma-ray burst astrometry III - More results

In continuation of previous work, new computations are presented for the PVO/Ulysses/GRO/GRANAT case. Since timing errors dominate this problem, error distributions are computed analytically for the source position direction cosines. Taff's method is shown to be numerically robust, accurate, and analytically convenient.

Taff, L. G.↗

NASA NTRS2000

Natural Hazards of the Space Environment

Spacecraft in Low Earth Orbit (LEO) are subject to numerous environmental hazards. Here I'll briefly discuss three environment factors that pose acute threats to the survival of spacecraft systems and crew: atmospheric drag, impacts by meteoroids and orbital debris, and ionizing radiation. Atmospheric drag continuously opposes the orbital motion of a satellite, causing the orbit to decay. This decay will lead to reentry if not countered by reboost maneuvers. Orbital debris is a by-product of man's activities in space, and consists of objects ranging in size from miniscule paint chips to spent rocket stages and dead satellites. Ionizing radiation experienced in LEO has several components: geomagnetically trapped protons and electrons (Van Allen belts); energetic solar particles; galactic cosmic rays; and albedo neutrons. These particles can have several types of prompt harmful effects on equipment and crew, from single-event upsets, latchup, and burnout of electronics, to lethal doses to crew.All three types of prompt threat show some dependence on the solar activity cycle. Atmospheric drag mitigation and large debris avoidance require propulsive maneuvers. M/OD and ionizing radiation require some form of shielding for crew and sensitive equipment. Limiting exposure time is a mitigation technique for ionizing radiation and meteor streams.

Evans, Steven W.↗

NASA NTRS2007

Bayesian Analysis of the Cosmic Microwave Background

There is a wealth of cosmological information encoded in the spatial power spectrum of temperature anisotropies of the cosmic microwave background! Experiments designed to map the microwave sky are returning a flood of data (time streams of instrument response as a beam is swept over the sky) at several different frequencies (from 30 to 900 GHz), all with different resolutions and noise properties. The resulting analysis challenge is to estimate, and quantify our uncertainty in, the spatial power spectrum of the cosmic microwave background given the complexities of "missing data", foreground emission, and complicated instrumental noise. Bayesian formulation of this problem allows consistent treatment of many complexities including complicated instrumental noise and foregrounds, and can be numerically implemented with Gibbs sampling. Gibbs sampling has now been validated as an efficient, statistically exact, and practically useful method for low-resolution (as demonstrated on WMAP 1 and 3 year temperature and polarization data). Continuing development for Planck - the goal is to exploit the unique capabilities of Gibbs sampling to directly propagate uncertainties in both foreground and instrument models to total uncertainty in cosmological parameters.

methods - statistical↗

NASA NTRS2014

Towards Test Driven Development for Computational Science with pFUnit

Developers working in Computational Science & Engineering (CSE)/High Performance Computing (HPC) must contend with constant change due to advances in computing technology and science. Test Driven Development (TDD) is a methodology that mitigates software development risks due to change at the cost of adding comprehensive and continuous testing to the development process. Testing frameworks tailored for CSE/HPC, like pFUnit, can lower the barriers to such testing, yet CSE software faces unique constraints foreign to the broader software engineering community. Effective testing of numerical software requires a comprehensive suite of oracles, i.e., use cases with known answers, as well as robust estimates for the unavoidable numerical errors associated with implementation with finite-precision arithmetic. At first glance these concerns often seem exceedingly challenging or even insurmountable for real-world scientific applications. However, we argue that this common perception is incorrect and driven by (1) a conflation between model validation and software verification and (2) the general tendency in the scientific community to develop relatively coarse-grained, large procedures that compound numerous algorithmic steps.We believe TDD can be applied routinely to numerical software if developers pursue fine-grained implementations that permit testing, neatly side-stepping concerns about needing nontrivial oracles as well as the accumulation of errors. We present an example of a successful, complex legacy CSE/HPC code whose development process shares some aspects with TDD, which we contrast with current and potential capabilities. A mix of our proposed methodology and framework support should enable everyday use of TDD by CSE-expert developers.

pFUnit↗

NASA NTRSDate not supplied

Continuum Covariance Propagation for Understanding Variance Loss in Advective Systems

We demonstrate for state dynamics governed by the continuity equation and related hyperbolic partial differential equations that significant, spurious variance loss occurs during covariance propagation by traditional methods used in data assimilation, even at full rank. This inaccurate variance evolution is caused not by numerical dissipation, but rather by a discontinuous change in the continuum covariance dynamics as correlation lengths tend to zero.

Shay Gilpin↗

NASA NTRS2022

A Benchmark Example for Delamination Propagation Predictions Based on the Calibrated End-Loaded Split Specimen

A benchmark example based on the Calibrated End-Loaded Split (C-ELS) specimen is developed and used to assess the performance of recently developed delamination propagation capabilities in the Abaqus/Standard finite element code. The C-ELS specimen has the advantage of a longer region of stable delamination propagation compared to the existing mode II benchmark case. The new benchmark example may therefore provide a better assessment tool by enabling more stable crack growth in regions further away from the boundary conditions or load application. First, a benchmark result is created manually using two-dimensional finite element models of the C-ELS specimen with different delamination lengths. Second, the performance of the delamination propagation capabilities in the Abaqus/Standard finite element code are assessed by comparing the results to the benchmark case. Two examples with different starter delamination lengths are studied. A shorter starter length is chosen to create a scenario with unstable delamination propagation. A longer delamination causes stable delamination propagation. Detailed results from three-dimensional analyses with aligned and mis-aligned meshes and two levels of mesh refinement are provided for several permutations of numerical input parameters. In general, good agreement can be achieved between the results obtained from the quasi-static propagation analysis and the benchmark analysis. However, particular non-default settings are found to be most reliable, accurate, and numerically efficient. Numerical artifacts including anomalous unreleased nodes in the crack wake and zig-zag crack fronts occur, and further development of the Abaqus/Standard VCCT propagation may be required. Use of the benchmark case to assess the continuous improvements in one finite element code illustrates the value of establishing benchmark solutions.

delamination↗