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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

MPAS-Seaice (v1.0.0): sea-ice dynamics on unstructured Voronoi meshes

Abstract. We present MPAS-Seaice, a sea-ice model which uses the Model for Prediction Across Scales (MPAS) framework and spherical centroidal Voronoi tessellation (SCVT) unstructured meshes. As well as SCVT meshes, MPAS-Seaice can run on the traditional quadrilateral grids used by sea-ice models such as CICE. The MPAS-Seaice velocity solver uses the elastic–viscous–plastic (EVP) rheology and the variational discretization of the internal stress divergence operator used by CICE, but adapted for the polygonal cells of MPAS meshes, or alternatively an integral (“finite-volume”) formulation of the stress divergence operator. An incremental remapping advection scheme is used for mass and tracer transport. We validate these formulations with idealized test cases, both planar and on the sphere. The variational scheme displays lower errors than the finite-volume formulation for the strain rate operator but higher errors for the stress divergence operator. The variational stress divergence operator displays increased errors around the pentagonal cells of a quasi-uniform mesh, which is ameliorated with an alternate formulation for the operator. MPAS-Seaice shares the sophisticated column physics and biogeochemistry of CICE and when used with quadrilateral meshes can reproduce the results of CICE. We have used global simulations with realistic forcing to validate MPAS-Seaice against similar simulations with CICE and against observations. We find very similar results compared to CICE, with differences explained by minor differences in implementation such as with interpolation between the primary and dual meshes at coastlines. We have assessed the computational performance of the model, which, because it is unstructured, runs with 70 % of the throughput of CICE for a comparison quadrilateral simulation. The SCVT meshes used by MPAS-Seaice allow removal of equatorial model cells and flexibility in domain decomposition, improving model performance. MPAS-Seaice is the current sea-ice component of the Energy Exascale Earth System Model (E3SM).

58 GEOSCIENCES↗
DOE OSTI2020

Learning to Optimize Variational Quantum Circuits to Solve Combinatorial Problems

Quantum computing is a computational paradigm with the potential to outperform classical methods for a variety of problems. Proposed recently, the Quantum Approximate Optimization Algorithm (QAOA) is considered as one of the leading candidates for demonstrating quantum advantage in the near term. QAOA is a variational hybrid quantum-classical algorithm for approximately solving combinatorial optimization problems. The quality of the solution obtained by QAOA for a given problem instance depends on the performance of the classical optimizer used to optimize the variational parameters. In this paper, we formulate the problem of finding optimal QAOA parameters as a learning task in which the knowledge gained from solving training instances can be leveraged to find high-quality solutions for unseen test instances. To this end, we develop two machine-learning-based approaches. Our first approach adopts a reinforcement learning (RL) framework to learn a policy network to optimize QAOA circuits. Our second approach adopts a kernel density estimation (KDE) technique to learn a generative model of optimal QAOA parameters. In both approaches, the training procedure is performed on small-sized problem instances that can be simulated on a classical computer; yet the learned RL policy and the generative model can be used to efficiently solve larger problems. Furthermore, extensive simulations using the IBM Qiskit Aer quantum circuit simulator demonstrate that our proposed RL- and KDE-based approaches reduce the optimality gap by factors up to 30.15 when compared with other commonly used off-the-shelf optimizers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

SICOPOLIS-AD v1: an open-source adjoint modeling framework for ice sheet simulation enabled by the algorithmic differentiation tool OpenAD

We present a new capability of the ice sheet model SICOPOLIS that enables flexible adjoint code generation via source transformation using the open-source algorithmic differentiation (AD) tool OpenAD.The adjoint code enables efficient calculation of the sensitivities of a scalar-valued objective function or quantity of interest (QoI) to a range of important, often spatially varying and uncertain model input variables, including initial and boundary conditions, as well as model parameters.Compared to earlier work on the adjoint code generation of SICOPOLIS, our work makes several important advances:(i) it is embedded within the up-to-date trunk of the SICOPOLIS repository – accounting for 1.5 decades of code development and improvements – and is readily available to the wider community;(ii) the AD tool used, OpenAD, is an open-source tool;(iii) the adjoint code developed is applicable to both Greenland and Antarctica, including grounded ice as well as floating ice shelves, with an extended choice of thermodynamical representations.A number of code refactorization steps were required. They are discussed in detail in an Appendix as they hold lessons for the application of AD to legacy codes at large.As an example application, we examine the sensitivity of the total Antarctic Ice Sheet volume to changes in initial ice thickness, austral summer precipitation, and basal and surface temperatures across the ice sheet.Simulations of Antarctica with floating ice shelves show that over 100 years of simulation the sensitivity of total ice sheet volume to the initial ice thickness and precipitation is almost uniformly positive, while the sensitivities to surface and basal temperature are almost uniformly negative. Sensitivity to austral summer precipitation is largest on floating ice shelves from Queen Maud to Queen Mary Land. The largest sensitivity to initial ice thickness is at outlet glaciers around Antarctica. Comparison between total ice sheet volume sensitivities to surface and basal temperature shows that surface temperature sensitivities are higher broadly across the floating ice shelves, while basal temperature sensitivities are highest at the grounding lines of floating ice shelves and outlet glaciers. A uniformly perturbed region of East Antarctica reveals that, among the four control variables tested here, total ice sheet volume is the most sensitive to variations in austral summer precipitation as formulated in SICOPOLIS.Comparison between adjoint- and finite-difference-derived sensitivities shows good agreement, lending confidence that the AD tool is producing correct adjoint code.The new modeling infrastructure is freely available at http://www.sicopolis.net (last access: 2 April 2020) under the development trunk.

58 GEOSCIENCES↗
NASA NTRS1973

Formulation of image quality prediction criteria for the Viking lander camera

Image quality criteria are defined and mathematically formulated for the prediction computer program which is to be developed for the Viking lander imaging experiment. The general objective of broad-band (black and white) imagery to resolve small spatial details and slopes is formulated as the detectability of a right-circular cone with surface properties of the surrounding terrain. The general objective of narrow-band (color and near-infrared) imagery to observe spectral characteristics if formulated as the minimum detectable albedo variation. The general goal to encompass, but not exceed, the range of the scene radiance distribution within single, commandable, camera dynamic range setting is also considered.

Huck, F. O.↗
NASA NTRS1974

Shuttle ascent trajectory optimization with function space quasi-Newton techniques

A Space Shuttle ascent trajectory optimization problem from lift-off to orbital insertion is solved with a function space version of a quasi-Newton parameter optimization method developed by Broyden. The problem includes five parameter and one bounded-function controls, two state-variable constraints, and four terminal conditions. The bounded controls are treated directly, while the remaining constraints are adjoined to the performance index (maximum payload) with penalty functions. The problem is formulated as a four-phase variational problem (liftoff, pitch-over, gravity-turn, linear tangent steering), and the appropriate gradients are developed by first variation theory. A projection operator is introduced to aid in the interpretation of the algorithm with mixed parameter and function controls.

Edge, E. R.↗
NASA NTRS1974

A study of unmanned mission opportunities to comets and asteroids

Several unmanned multiple-target mission opportunities to comets and asteroids were studied. The targets investigated include Grigg-Skjellerup, Giacobini-Zinner, Tuttle-Giacobini-Kresak, Borrelly, Halley, Schaumasse, Geographos, Eros, Icarus, and Toro, and the trajectories consist of purely ballistic flight, except that powered swingbys and deep space burns are employed when necessary. Optimum solar electric rendezvous trajectories to the comets Giacobini-Zinner/85, Borrelly/87, and Temple (2)/83 and /88 employing the 8.67 kw Sert III spacecraft modified for interplanetary flight were also investigated. The problem of optimizing electric propulsion heliocentric trajectories, including the effects of geocentric launch asymptote declination on launch vehicle performance capability, was formulated, and a solution developed using variational calculus techniques. Improvements were made to the HILTOP trajectory optimization computer program. An error analysis of high-thrust maneuvers involving spin-stabilized spacecraft was developed and applied to a synchronous meteorological satellite mission.

Mann, F. I.↗
NASA NTRS1991

Advanced stress analysis methods applicable to turbine engine structures

The following tasks on the study of advanced stress analysis methods applicable to turbine engine structures are described: (1) constructions of special elements which contain traction-free circular boundaries; (2) formulation of new version of mixed variational principles and new version of hybrid stress elements; (3) establishment of methods for suppression of kinematic deformation modes; (4) construction of semiLoof plate and shell elements by assumed stress hybrid method; and (5) elastic-plastic analysis by viscoplasticity theory using the mechanical subelement model.

Pian, Theodore H. H.↗
NASA NTRS1992

A first-order global model of Late Cenozoic climatic change: Orbital forcing as a pacemaker of the ice ages

The development of a theory of the evolution of the climate of the earth over millions of years can be subdivided into three fundamental, nested, problems: (1) to establish by equilibrium climate models (e.g., general circulation models) the diagnostic relations, valid at any time, between the fast-response climate variables (i.e., the 'weather statistics') and both the prescribed external radiative forcing and the prescribed distribution of the slow response variables (e.g., the ice sheets and shelves, the deep ocean state, and the atmospheric CO2 concentration); (2) to construct, by an essentially inductive process, a model of the time-dependent evolution of the slow-response climatic variables over time scales longer than the damping times of these variables but shorter than the time scale of tectonic changes in the boundary conditions (e.g., altered geography and elevation of the continents, slow outgassing, and weathering) and ultra-slow astronomical changes such as in the solar radiative output; and (3) to determine the nature of these ultra-slow processes and their effects on the evolution of the equilibrium state of the climatic system about which the above time-dependent variations occur. All three problems are discussed in the context of the theory of the Quaternary climate, which will be incomplete unless it is embedded in a more general theory for the fuller Cenozoic that can accommodate the onset of the ice-age fluctuations. We construct a simple mathematical model for the Late Cenozoic climatic changes based on the hypothesis that forced and free variations of the concentration of atmospheric greenhouse gases (notably CO2), coupled with changes in the deep ocean state and ice mass, under the additional 'pacemaking' influence of earth-orbital forcing, are primary determinants of the climate state over this period. Our goal is to illustrate how a single model governing both very long term variations and higher frequency oscillatory variations in the Pleistocene can be formulated with relatively few adjustable parameters.

Saltzman, Barry↗
NASA NTRS2006

Model Predictive Optimal Control of a Time-Delay Distributed-Parameter Systems

This paper presents an optimal control method for a class of distributed-parameter systems governed by first order, quasilinear hyperbolic partial differential equations that arise in many physical systems. Such systems are characterized by time delays since information is transported from one state to another by wave propagation. A general closed-loop hyperbolic transport model is controlled by a boundary control embedded in a periodic boundary condition. The boundary control is subject to a nonlinear differential equation constraint that models actuator dynamics of the system. The hyperbolic equation is thus coupled with the ordinary differential equation via the boundary condition. Optimality of this coupled system is investigated using variational principles to seek an adjoint formulation of the optimal control problem. The results are then applied to implement a model predictive control design for a wind tunnel to eliminate a transport delay effect that causes a poor Mach number regulation.

Nguyen, Nhan↗
NASA NTRS2017

Time Dependence of Collision Probabilities During Satellite Conjunctions

The NASA Conjunction Assessment Risk Analysis (CARA) team has recently implemented updated software to calculate the probability of collision (P (sub c)) for Earth-orbiting satellites. The algorithm can employ complex dynamical models for orbital motion, and account for the effects of non-linear trajectories as well as both position and velocity uncertainties. This “3D P (sub c)” method entails computing a 3-dimensional numerical integral for each estimated probability. Our analysis indicates that the 3D method provides several new insights over the traditional “2D P (sub c)” method, even when approximating the orbital motion using the relatively simple Keplerian two-body dynamical model. First, the formulation provides the means to estimate variations in the time derivative of the collision probability, or the probability rate, R (sub c). For close-proximity satellites, such as those orbiting in formations or clusters, R (sub c) variations can show multiple peaks that repeat or blend with one another, providing insight into the ongoing temporal distribution of risk. For single, isolated conjunctions, R (sub c) analysis provides the means to identify and bound the times of peak collision risk. Additionally, analysis of multiple actual archived conjunctions demonstrates that the commonly used “2D P (sub c)” approximation can occasionally provide inaccurate estimates. These include cases in which the 2D method yields negligibly small probabilities (e.g., P (sub c)) is greater than 10 (sup -10)), but the 3D estimates are sufficiently large to prompt increased monitoring or collision mitigation (e.g., P (sub c) is greater than or equal to 10 (sup -5)). Finally, the archive analysis indicates that a relatively efficient calculation can be used to identify which conjunctions will have negligibly small probabilities. This small-P (sub c) screening test can significantly speed the overall risk analysis computation for large numbers of conjunctions.

Hall, Doyle T.↗
DOE OSTI2025

Effects of SRPPF ARS Effluent Variations on Magnesium Oxysulfate Solidification

A magnesium oxysulfate (MOS) grout formulation has been identified to solidify the liquid effluent from the Savannah River Plutonium Processing Facility (SRPPF) Aqueous Recovery System (ARS). The formulation uses reactive, light burnt MgO (28 wt%), anhydrous MgSO 4 (10 wt%), and dead burnt MgO (62 wt%), resulting in a grout with good mixability, acceptable density, acceptable setting times, and a leachate pH around 9.4, within the assumed Waste Isolation Pilot Plant (WIPP) brine pH range. A series of tests were then designed to observe how this formula reacted to variations in the liquid effluent. Liquid effluent temperature, the caustic pH level, concentration of NaNO 3 , and the presence of neutralization products, trace metals, and/or sodium sulfate (all potential residuals found in the effluent from upstream processing), were evaluated to see how each impacts the grout mixing time, peak temperature, setting time, presence of bleed water, leachate pH, and density. The standard mix has an average mixing time of 18 minutes, peak temperature of 100.5 °C, and set time of 60 minutes. Increasing the temperature of the liquid effluent increased the reaction rate of the mix and reduced mixing and setting times. Between 30 and 40°C the change was relatively small, raising no more than 6 °C compared to the standard mix maximum temperature. Increasing the pH of the liquid effluent had no significant impact on the mix. The addition of neutralization products and trace metals had an overall impact of decreasing the reactivity of the mix. The addition of more ions in the liquid effluent, such as an increase in the concentration of NaNO 3 and the addition of Na 2 SO 4 , generally decreased the reactivity of the mix. None of the variations to the liquid effluent hindered solidification as indicated by the lack of bleed water found on all the samples. The leachate pH values for all mixes tested did not significantly vary from the expected pH of 9.4 and none of the density values fell below 1.8 g/cm 3 . Overall, changes to the liquid effluent were found to have a minimal impact on the formulation suggesting the grout's ability to properly form despite increased temperatures and the presence of residuals typically found in the liquid effluent from the ARS.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1973

Numerical simulation of noise propagation in jet engine ducts

A finite difference formulation is presented which is useful in the study of acoustically treated inlet and exhaust ducts used in turbofan engines. The difference formulation can readily handle acoustic flow field complications, such as axial variations in wall impedance and cross-sectional area, that would occur in a sonic inlet. In formulating the difference solutions, the continuous acoustic field is lumped into a series of grid points spread uniformly throughout the field. At each point, the pressure is separated into its real and imaginary terms. Example solutions are presented for sound propagation in a one-dimensional straight hard-wall duct and in a two-dimensional straight soft-wall duct without steady flow.

Baumeister, K. J.↗
NASA NTRS1990

Some Aspects of Essentially Nonoscillatory (ENO) Formulations for the Euler Equations, Part 3

An essentially nonoscillatory (ENO) formulation is described for hyperbolic systems of conservation laws. ENO approaches are based on smart interpolation to avoid spurious numerical oscillations. ENO schemes are a superset of Total Variation Diminishing (TVD) schemes. In the recent past, TVD formulations were used to construct shock capturing finite difference methods. At extremum points of the solution, TVD schemes automatically reduce to being first-order accurate discretizations locally, while away from extrema they can be constructed to be of higher order accuracy. The new framework helps construct essentially non-oscillatory finite difference methods without recourse to local reductions of accuracy to first order. Thus arbitrarily high orders of accuracy can be obtained. The basic general ideas of the new approach can be specialized in several ways and one specific implementation is described based on: (1) the integral form of the conservation laws; (2) reconstruction based on the primitive functions; (3) extension to multiple dimensions in a tensor product fashion; and (4) Runge-Kutta time integration. The resulting method is fourth-order accurate in time and space and is applicable to uniform Cartesian grids. The construction of such schemes for scalar equations and systems in one and two space dimensions is described along with several examples which illustrate interesting aspects of the new approach.

Chakravarthy, Sukumar R.↗
NASA NTRS1984

Variational objective analyses for cyclone studies

The basic analysis equations, i.e., the two horizontal momentum equations, the hydrostatic equation, and the integrated continuity equation were derived for the nonlinear vertical coordinate, nondimensionalized, and expressed in finite differences on a staggered grid. Special care was taken to transform the hydrostatic equation and the pressure gradient terms of the horizontal momentum equations to nearly eliminate truncation error over steeply sloping terrain. This formulation also eliminated explicit reference to orographically induced variations in the thermodynamic variables so that the variational adjustments are on the scale of the meteorological perturbations. The analysis equations were subjected to the Euler-Lagrange operations as expressed for finite differences and an additional set of five partial differential equations was derived, bringing to nine the number of equations in Model I. Higher order terms, terms containing observed quantities, and terms containing none of the variables to be adjusted were grouped into forcing functions and the equations were solved for the zero order terms. Zero order variables were eliminated between these equations and there resulted two diagnostic equations which take the form of general linear second order partial differential equations with nonconstant coefficients.

Achtemeier, G. L.↗
NASA NTRS1996

An Inversion of Gravity and Topography for Mantle and Crustal Structure on Mars

Analysis of the gravity and topography of Mars presently provides our primary quantitative constraints on the internal structure of Mars. We present an inversion of the long-wavelength (harmonic degree less than or equal to 10) gravity and topography of Mars for lateral variations of mantle temperature and crustal thickness. Our formulation incorporates both viscous mantle flow (which most prior studies have neglected) and isostatically compensated density anomalies in the crust and lithosphere. Our nominal model has a 150-km-thick high-viscosity surface layer over an isoviscous mantle, with a core radius of 1840 km. It predicts lateral temperature variations of up to a few hundred degrees Kelvin relative to the mean mantle temperature, with high temperature under Tharsis and to a lesser extent under Elysium and cool temperatures elsewhere. Surprisingly, the model predicts crustal thinning beneath Tharsis. If correct, this implies that thinning of the crust by mantle shear stresses dominates over thickening of the crust by volcanism. The major impact basins (Hellas, Argyre, Isidis, Chryse, and Utopia) are regions of crustal thinning, as expected. Utopia is also predicted to be a region of hot mantle, which is hard to reconcile with the surface geology. An alternative model for Utopia treats it as a mascon basin. The Utopia gravity anomaly is consistent with the presence of a 1.2 to 1.6 km thick layer of uncompensated basalt, in good agreement with geologic arguments about the amount of volcanic fill in this area. The mantle thermal structure is the dominant contributor to the observed geoid in our inversion. The mantle also dominates the topography at the longest wavelengths, but shorter wavelengths (harmonic degrees greater than or equal to 4) are dominated by the crustal structure. Because of the uncertainty about the appropriate numerical values for some of the model's input parameters, we have examined the sensitivity of the model results to the planetary structural model (core radius and core and mantle densities), the mantle's viscosity stratification, and the mean crustal thickness. The model results are insensitive to the specific thickness or viscosity contrast of the high-viscosity surface layer and to the mean crustal thickness in the range 25 to 100 km. Models with a large core radius or with an upper mantle low-viscosity zone require implausibly large lateral variations in mantle temperature.

Kiefer, Walter S.↗
NASA NTRS1989

Developments in variational methods for high performance plate and shell elements

This paper is part of a series on the variational foundations of high-performance elements, with emphasis on plate and shell elements constructed with the free formulation (FF) and assumed natural strain (ANS) methods. Attention is given to parametrized variational principles that provide a common foundation for the FF and ANS methods, as well as a combination of both. From this unified formulation, a variant of the ANS formulation called the 'assumed natural deviatoric strain' (ANDES) formulation, emerges as an important case. The first ANDES element, a high-performance 9-dof triangular Kirchhoff plate bending element, is briefly described to illustrate the use of the new formulation.

Felippa, C. A.↗
DOE OSTI2023

High-Order Mesh Morphing for Boundary and Interface Fitting to Implicit Geometries

Here, we propose a method that morphs high-order meshes such that their boundaries and interfaces coincide/align with implicitly defined geometries. Our focus is particularly on the case when the target surface is prescribed as the zero isocontour of a smooth discrete function. Common examples of this scenario include using level set functions to represent material interfaces in multimaterial configurations, and evolving geometries in shape and topology optimization. The proposed method formulates the mesh optimization problem as a variational minimization of the sum of a chosen mesh-quality metric using the Target-Matrix Optimization Paradigm (TMOP) and a penalty term that weakly forces the selected faces of the mesh to align with the target surface. The distinct features of the method are use of a source mesh to represent the level set function with sufficient accuracy, and adaptive strategies for setting the penalization weight and selecting the faces of the mesh to be fit to the target isocontour of the level set field. We demonstrate that the proposed method is robust for generating boundary- and interface-fitted meshes for curvilinear domains using different element types in 2D and 3D.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

A phase-field model of quasi-brittle fracture for pressurized cracks: Application to UO 2 high-burnup microstructure fragmentation

Here, in this paper, we present a phase-field model of quasi-brittle fracture with pressurized cracks, with dedicated applications for polycrystalline materials. The model is formulated as a minimization problem within the variational framework. The external work done by pressure on the crack surfaces is included in the objective function. Several careful modeling choices lead to a regularization-length-independent critical strength. The model is constructed to give a softening response with an underlying linear traction-separation law. The pressure-dependent softening response and the regularization of the prescribed pressure are demonstrated with a (quasi) one-dimensional numerical analysis. In a two-dimensional numerical analysis under plane strain assumptions, the critical stress corresponding to crack propagation (as predicted by our quasi-brittle fracture model) is compared with linear elastic fracture mechanics (LEFM) analytical solutions. Our model is further utilized to simulate fission-gas-induced fragmentation of the UO 2 high-burnup structure (HBS). Simulation results show that pressurized bubbles can cause crack nucleation and propagation, and that the bubble size and the surrounding external pressure affect the critical pressure corresponding to crack nucleation. Simulations of a partial HBS at different recrystallization stages show that different grain structures (due to recrystallization) also influence crack paths and fragmentation morphology.

36 MATERIALS SCIENCE↗