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DOE OSTI2025

Adaptive Grid Redistribution for a 1D Model of Turbulence and Clouds

In global atmospheric models, resolving stratocumulus (Sc) in the vertical is computationally expensive. However, Sc appear only under special meteorological conditions. Therefore, there is motivation to refine the vertical grid levels adaptively. In order to facilitate the possibility of parallelization on graphical processing units, our grid adaptation method prescribes the number of vertical levels a priori. Then grid levels are relocated toward altitude ranges in need of refinement. Because the method relocates existing grid levels, rather than adding extra levels, there is a risk of creating regions with overly coarse grid spacing, that is, voids in the grid mesh. To prevent such voids from forming, a simple method is developed to impose a maximum grid spacing. To decide where to place enhanced resolution, the authors develop an empirical mesh refinement criterion. It refines grid spacing near the ground, near strong temperature gradients, and within clouds. Our grid adaptation method is implemented in a single-column model and evaluated on four test cases: decaying stratocumulus, developing shallow cumulus, a quasi-stationary stratocumulus deck, and the diurnal cycle of a dry boundary layer. In the stratocumulus cases, mesh refinement leads to improvements in both the time evolution of fields and their time averages. The other two cases show smaller differences.

Carstensen, Steffen [Univ. of Wisconsin, Milwaukee↗

NASA NTRS2014

Toward Automatic Verification of Goal-Oriented Flow Simulations

We demonstrate the power of adaptive mesh refinement with adjoint-based error estimates in verification of simulations governed by the steady Euler equations. The flow equations are discretized using a finite volume scheme on a Cartesian mesh with cut cells at the wall boundaries. The discretization error in selected simulation outputs is estimated using the method of adjoint-weighted residuals. Practical aspects of the implementation are emphasized, particularly in the formulation of the refinement criterion and the mesh adaptation strategy. Following a thorough code verification example, we demonstrate simulation verification of two- and three-dimensional problems. These involve an airfoil performance database, a pressure signature of a body in supersonic flow and a launch abort with strong jet interactions. The results show reliable estimates and automatic control of discretization error in all simulations at an affordable computational cost. Moreover, the approach remains effective even when theoretical assumptions, e.g., steady-state and solution smoothness, are relaxed.

Simulations↗

NASA NTRS1993

Solar flux forecasting using mutual information with an optimal delay

Solar flux F(sub 10.7) directly affects the atmospheric density, thereby changing the lifetime and prediction of satellite orbits. For this reason, accurate forecasting of F(sub 10.7) is crucial for orbit determination of spacecraft. Our attempts to model and forecast F(sub 10.7) uncovered highly entangled dynamics. We concluded that the general lack of predictability in solar activity arises from its nonlinear nature. Nonlinear dynamics allow us to predict F(sub 10.7) more accurately than is possible using stochastic methods for time scales shorter than a characteristic horizon, and with about the same accuracy as using stochastic techniques when the forecasted data exceed this horizon. The forecast horizon is a function of two dynamical invariants: the attractor dimension and the Lyapunov exponent. In recent years, estimation of the attractor dimension reconstructed from a time series has become an important tool in data analysis. In calculating the invariants of the system, the first necessary step is the reconstruction of the attractor for the system from the time-delayed values of the time series. The choice of the time delay is critical for this reconstruction. For an infinite amount of noise-free data, the time delay can, in principle, be chosen almost arbitrarily. However, the quality of the phase portraits produced using the time-delay technique is determined by the value chosen for the delay time. Fraser and Swinney have shown that a good choice for this time delay is the one suggested by Shaw, which uses the first local minimum of the mutual information rather than the autocorrelation function to determine the time delay. This paper presents a refinement of this criterion and applies the refined technique to solar flux data to produce a forecast of the solar activity.

Ashrafi, S.↗

DOE OSTI2024

Adaptive mesh refinement in binary black holes simulations

Abstract We discuss refinement criteria for the Berger–Rigoutsos (block-based) refinement algorithm in our numerical relativity code GR-Athena++ in the context of binary black hole (BBH) merger simulations. We compare three different strategies: the ‘box-in-box’ approach, the ‘sphere-in-sphere’ approach and a local criterion for refinement based on the estimation of truncation error of the finite difference scheme. We extract and compare gravitational waveforms using the three different mesh refinement methods and compare their accuracy against a calibration waveform and demonstrate that the sphere-in-sphere approach provides the best strategy overall when considering computational cost and the waveform accuracy. Ultimately, we demonstrate the capability of each mesh refinement method in accurately simulating gravitational waves from BBH systems—a crucial aspect for their application in next-generation detectors. We quantify the mismatch achievable with the different strategies by extrapolating the gravitational wave mismatch to higher resolution.

Astronomy & Astrophysics↗

DOE OSTI2015

Introducing Enabling Computational Tools to the Climate Sciences: Multi-Resolution Climate Modeling with Adaptive Cubed-Sphere Grids

The research investigates and advances strategies how to bridge the scale discrepancies between local, regional and global phenomena in climate models without the prohibitive computational costs of global cloud-resolving simulations. In particular, the research explores new frontiers in computational geoscience by introducing high-order Adaptive Mesh Refinement (AMR) techniques into climate research. AMR and statically-adapted variable-resolution approaches represent an emerging trend for atmospheric models and are likely to become the new norm in future-generation weather and climate models. The research advances the understanding of multi-scale interactions in the climate system and showcases a pathway how to model these interactions effectively with advanced computational tools, like the Chombo AMR library developed at the Lawrence Berkeley National Laboratory. The research is interdisciplinary and combines applied mathematics, scientific computing and the atmospheric sciences. In this research project, a hierarchy of high-order atmospheric models on cubed-sphere computational grids have been developed that serve as an algorithmic prototype for the finite-volume solution-adaptive Chombo-AMR approach. The foci of the investigations have lied on the characteristics of both static mesh adaptations and dynamically-adaptive grids that can capture flow fields of interest like tropical cyclones. Six research themes have been chosen. These are (1) the introduction of adaptive mesh refinement techniques into the climate sciences, (2) advanced algorithms for nonhydrostatic atmospheric dynamical cores, (3) an assessment of the interplay between resolved-scale dynamical motions and subgrid-scale physical parameterizations, (4) evaluation techniques for atmospheric model hierarchies, (5) the comparison of AMR refinement strategies and (6) tropical cyclone studies with a focus on multi-scale interactions and variable-resolution modeling. The results of this research project demonstrate significant advances in all six research areas. The major conclusions are that statically-adaptive variable-resolution modeling is currently becoming mature in the climate sciences, and that AMR holds outstanding promise for future-generation weather and climate models on high-performance computing architectures.

58 GEOSCIENCES↗

DOE OSTI2024

Oxygen Limit for Flammability of a Gas Mixture of Helium – Hydrogen – Oxygen in the U.S. Department of Energy Standard Canister

The radiolytic breakdown of residual free, physisorbed, and chemisorbed waters is anticipated in the sealed dry storage of spent nuclear fuel (SNF), releasing H 2 gas into the initial cover gas of helium. For aluminum-clad SNF (ASNF) in particular, the expected total hydrogen in the canister is enough to dominate the cover gas mixture if fully released, and based on experimental rates of H 2 generation, H 2 percentages exceeding the lower flammability limit appear likely. However, no evidence of radiolytic generation of O 2 has been observed to date, so the potential for flammability is averted due to the lack O 2 . Lack of oxygen has been credited for avoiding flammability in some existing storage and transportation approaches for SNF and other waste. This report reviews literature on flammability limits with a focus on the limiting oxygen concentration to provide technical underpinnings to refine a flammability criterion for gas mixtures of helium, hydrogen, and oxygen where the oxygen is expected to be the limiting species. While there is general consensus on H 2 flammability limits at standard temperature and pressure, the decay heat and gas generation within ASNF sealed dry storage canisters could push them to elevated temperatures and pressures, so the goal is to identify an oxygen threshold that will bound the behavior over the temperature and pressure range of the U.S. Department of Energy (DOE) Standard Canister. The information reviewed in this document supports the criterion that the oxygen concentration in a He-H 2 -O 2 mixture should be less than 1.5% to avoid flammability at temperatures and pressures relevant to sealed dry storage of ASNF in the DOE Standard Canister, i.e., up to 343°C (650°F) and 500 psig, respectively. Note that while data covering the full range of temperature at atmospheric pressure and nearly the full range of pressure at room temperature were available, data for the combined effects was available only at moderate temperatures and pressures; the recommended 1.5% O 2 threshold is based on the breadth of available data reported here and apparent trends therein.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1990

Reliability analysis of a structural ceramic combustion chamber

The Weibull modulus, fracture toughness and thermal properties of a silicon nitride material used to make a gas turbine combustor were experimentally measured. The location and nature of failure origins resulting from bend tests were determined with fractographic analysis. The measured Weibull parameters were used along with thermal and stress analysis to determine failure probabilities of the combustor with the CARES design code. The effect of data censoring, FEM mesh refinement, and fracture criterion were considered in the analysis.

Salem, Jonathan A.↗

NASA NTRS1991

Reliability analysis of a structural ceramic combustion chamber

Salem, Jonathan A.↗

NASA NTRS2004

Multipurpose Crew Restraints for Long Duration Space Flights

With permanent human presence onboard the International Space Station (ISS), a crew will be living and working in microgravity, interfacing with their physical environment. Without optimum restraints and mobility aids (R&MA' s), the crewmembers may be handicapped for perfonning some of the on-orbit tasks. In addition to weightlessness, the confined nature of a spacecraft environment results in ergonomic challenges such as limited visibility and access to the activity area and may cause prolonged periods of unnatural postures. Thus, determining the right set of human factors requirements and providing an ergonomically designed environment are crucial to astronauts' well-being and productivity. The purpose of this project is to develop requirements and guidelines, and conceptual designs, for an ergonomically designed multi-purpose crew restraint. In order to achieve this goal, the project would involve development of functional and human factors requirements, design concept prototype development, analytical and computer modeling evaluations of concepts, two sets of micro gravity evaluations and preparation of an implementation plan. It is anticipated that developing functional and design requirements for a multi-purpose restraint would facilitate development of ergonomically designed restraints to accommodate the off-nominal but repetitive tasks, and minimize the performance degradation due to lack of optimum setup for onboard task performance. In addition, development of an ergonomically designed restraint concept prototype would allow verification and validation of the requirements defined. To date, we have identified "unique" tasks and areas of need, determine characteristics of "ideal" restraints, and solicit ideas for restraint and mobility aid concepts. Focus group meetings with representatives from training, safety, crew, human factors, engineering, payload developers, and analog environment representatives were key to assist in the development of a restraint concept based on previous flight experiences, the needs of future tasks, and crewmembers' preferences. Also, a catalog with existing IVA/EVA restraint and mobility aids has been developed. Other efforts included the ISS crew debrief data on restraints, compilation of data from MIR, Skylab and ISS on restraints, and investigating possibility of an in-flight evaluation of current restraint systems. Preliminary restraint concepts were developed and presented to long duration crewmembers and focus groups for feedback. Currently, a selection criterion is being refined for prioritizing the candidate concepts. Next steps include analytical and computer modeling evaluations of the selected candidate concepts, prototype development, and microgravity evaluations.

Whitmore, Mihriban↗

DOE OSTI2020

An adaptive discontinuous Petrov-Galerkin method for the Grad-Shafranov equation

In this work, we propose and develop an arbitrary-order adaptive discontinuous Petrov--Galerkin (DPG) method for the nonlinear Grad--Shafranov equation. An ultraweak formulation of the DPG scheme for the equation is given based on a minimal residual method. The DPG scheme has the advantage of providing more accurate gradients compared to conventional finite element methods, which is desired for numerical solutions to the Grad--Shafranov equation. The numerical scheme is augmented with an adaptive mesh refinement approach, and a criterion based on the residual norm in the minimal residual method is developed to achieve dynamic refinement. Nonlinear solvers for the resulting system are explored and a Picard iteration with Anderson acceleration is found to be efficient to solve the system. Finally, the proposed algorithm is implemented in parallel on MFEM using a domain-decomposition approach, and our implementation is general, supporting arbitrary order of accuracy and general meshes. Furthermore, numerical results are presented to demonstrate the efficiency and accuracy of the proposed algorithm.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Crystal Structure Prediction of Binary Alloys via Deep Potential

Predicting crystal structure has been a challenging problem in physics and materials science for a long time. A reliable energy calculation engine combined with an efficient global search algorithm, such as particle swarm optimization algorithm or genetic algorithm, is needed to conduct crystal structure prediction. In recent years, machine learning-based interatomic potential energy surface models have been proposed, potentially allowing us to perform crystal structure prediction for systems with the accuracy of density functional theory (DFT) and the speed of empirical force fields. In this paper, we employ a previously developed Deep Potential model to predict the intermetallic compound of the aluminum–magnesium system, and find six meta-stable phases with negative or nearly zero formation energy. In particular, Mg 12 Al 8 shows excellent ductility and Mg 5 Al 27 has a high Young's modulus. Based on our benchmark results, we propose a relatively robust structure screening criterion that selects potentially stable structures from the Deep Potential-based convex hull and performs DFT refinement. By using this criterion, the computational cost needed to construct the convex hull with ab initio accuracy can be dramatically reduced.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRSDate not supplied

The Influence of Adaptive Mesh Refinement on the Prediction of Vortex Interactions about a Generic Missile Airframe

The complex interaction of forebody and wing vortices significantly impacts missile aerodynamics. The formation of these vortices involves smooth regions of the geometry or geometric discontinuities like leading edges, trailing edges, tips, and corners. Regions of supersonic flow and complex shock topologies interact with boundary layers and vortices. Smooth-body separation and 3D viscous effects strain current Reynolds-averaged Navier-Stokes (RANS) techniques. The quantification and control of discretization error is critical to obtaining reliable simulation results and often turbulence model assessments are made in the presence of unquantified (and potentially large) discretization errors. Two mesh adaptation schemes are applied to steady RANS simulations. Multiscale unstructured mesh adaptation is applied to control interpolation error estimates of the Mach field, which resolves boundary layers, vortices, and shocks. A dual-mesh approach with overset communication is applied between an expert-crafted near-body unstructured mesh and an adaptive off-body Cartesian mesh refined with Q-criterion scaled by the strain tensor magnitude. A generic missile configuration is examined in a supersonic flow field to show the interaction of mesh adaptation and turbulence model. Turbulence model modifications for rotational correction and a quadratic constitutive relationship show a strong influence on adaptive mesh refinement and predicted rolling moment.

slender body aerodynamics↗

NASA NTRS1989

Mesh refinement in finite element analysis by minimization of the stiffness matrix trace

Most finite element packages provide means to generate meshes automatically. However, the user is usually confronted with the problem of not knowing whether the mesh generated is appropriate for the problem at hand. Since the accuracy of the finite element results is mesh dependent, mesh selection forms a very important step in the analysis. Indeed, in accurate analyses, meshes need to be refined or rezoned until the solution converges to a value so that the error is below a predetermined tolerance. A-posteriori methods use error indicators, developed by using the theory of interpolation and approximation theory, for mesh refinements. Some use other criterions, such as strain energy density variation and stress contours for example, to obtain near optimal meshes. Although these methods are adaptive, they are expensive. Alternatively, a priori methods, until now available, use geometrical parameters, for example, element aspect ratio. Therefore, they are not adaptive by nature. An adaptive a-priori method is developed. The criterion is that the minimization of the trace of the stiffness matrix with respect to the nodal coordinates, leads to a minimization of the potential energy, and as a consequence provide a good starting mesh. In a few examples the method is shown to provide the optimal mesh. The method is also shown to be relatively simple and amenable to development of computer algorithms. When the procedure is used in conjunction with a-posteriori methods of grid refinement, it is shown that fewer refinement iterations and fewer degrees of freedom are required for convergence as opposed to when the procedure is not used. The mesh obtained is shown to have uniform distribution of stiffness among the nodes and elements which, as a consequence, leads to uniform error distribution. Thus the mesh obtained meets the optimality criterion of uniform error distribution.

Kittur, Madan G.↗

NASA NTRS1986

Flared landing approach flying qualities. Volume 1: Experiment design and analysis

An inflight research study was conducted utilizing the USAF Total Inflight Simulator (TIFS) to investigate longitudinal flying qualities for the flared landing approach phase of flight. The purpose of the experiment was to generate a consistent set of data for: (1) determining what kind of commanded response the pilot prefers in order to flare and land an airplane with precision, and (2) refining a time history criterion that took into account all the necessary variables and their characteristics that would accurately predict flying qualities. The result of the first part provides guidelines to the flight control system designer, using MIL-F-8785-(C) as a guide, that yield the dynamic behavior pilots perfer in flared landings. The results of the second part provides the flying qualities engineer with a newly derived flying qualities predictive tool which appears to be highly accurate. This time domain predictive flying qualities criterion was applied to the flight data as well as six previous flying qualities studies, and the results indicate that the criterion predicted the flying qualities level 81% of the time and the Cooper-Harper pilot rating, within + or - 1, 60% of the time.

Weingarten, Norman C.↗

NASA NTRS1986

Flared landing approach flying qualities. Volume 2: Appendices

An in-flight research study was conducted utilizing the USAF/Total In-Flight Simulator (TIFS) to investigate longitudinal flying qualities for the flared landing approach phase of flight. A consistent set of data were generated for: determining what kind of command response the pilot prefers/requires in order to flare and land an aircraft with precision, and refining a time history criterion that took into account all the necessary variables and the characteristics that would accurately predict flying qualities. Seven evaluation pilots participated representing NASA Langley, NASA Dryden, Calspan, Boeing, Lockheed, and DFVLR (Braunschweig, Germany). The results of the first part of the study provide guidelines to the flight control system designer, using MIL-F-8785-(C) as a guide, that yield the dynamic behavior pilots prefer in flared landings. The results of the second part provide the flying qualities engineer with a derived flying qualities predictive tool which appears to be highly accurate. This time-domain predictive flying qualities criterion was applied to the flight data as well as six previous flying qualities studies, and the results indicate that the criterion predicted the flying qualities level 81% of the time and the Cooper-Harper pilot rating, within + or - 1%, 60% of the time.

Weingarten, Norman C.↗

DOE OSTI2024

Machine Learning-Assisted Stability Boundary Determination of Multiport Autonomous Reconfigurable Solar Power Plants

The multiport autonomous reconfigurable solar (MARS) power plant is a promising solution to integrate renewable resources and energy storage systems into the alternating current (ac) power grid and an high-voltage direct current (HVdc) link. In the MARS system, various input power sources are connected to the individual submodules (SMs) through direct current (dc)–dc converters. However, the presence of external power sources can result in unbalanced capacitor voltages of SMs, thereby violating stability constraints under multiple/diverse operating conditions. This article aims to address the gap by accurately determining the stability boundary of the MARS system. As such, a novel machine learning (ML)-assisted energy balancing control (EBC) criterion is proposed. Further, in conjunction with a refined EBC, this approach ensures balanced capacitor voltages across various types of SMs, significantly enhancing the overall system efficiency. The proposed EBC criterion effectively controls EBC activation and deactivation, achieving remarkable accuracy. Both power systems computer aided design (PSCAD)/electromagnetic transients including direct current (EMTDC) simulations and control hardware-in-the-loop (cHIL) tests are conducted to validate the feasibility and efficiency of the proposed method. By combining the EBC and ML-assisted EBC criterion, efficient energy management is achieved for systems featuring multiple input power sources, such as MARS. This approach enables the system to fully exploit its potential across an expanded operational range while upholding high-efficiency standards.

14 SOLAR ENERGY↗

DOE OSTI2016

Recent Studies on the Asymptotic Convergence of the Spatial Discretization for Two-Dimensional Discrete Ordinates Solutions

In this paper, four types of quadrature schemes are used to define discrete directions in the solution of a two-dimensional fixed-source discrete ordinates problem in Cartesian geometry. Such schemes enable generating numerical results for averaged scalar fluxes over specified regions of the domain with high number (up to 105) of directions per octant. Two different nodal approaches, the ADO and AHOT-N0 methods, are utilized to obtain the numerical results of interest. The AHOT-N0 solutions on a sequence of refined meshes are then used to develop an asymptotic analysis of the spatial discretization error in order to derive a reference solution. It was more clearly observed that the spatial discretization error converges asymptotically with second order for the source region with all four quadratures employed, while for the other regions refined meshes along with tighter convergence criterion must be applied to evidence the same behavior. Although, in that case, some differences among the four quadrature schemes results were found.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Modeling Validation of Mechanical and Thermal Borehole Breakouts From Polyaxial Laboratory Tests to Determine Maximum Horizontal in Situ Stress

To accurately assess rock behavior in the deep subsurface, it is necessary to measure the in situ stress directions and magnitudes. The current methods for measuring the in situ stress state in the deep subsurface primarily include hydraulic fracturing tests (i.e., the minimum horizontal stress) or occasionally observing existing compressive borehole breakouts (i.e., the maximum horizontal stress) that have occurred naturally from drilling. If there are no existing compressive breakouts in a borehole, the maximum horizontal in situ stress cannot be estimated with much confidence. In response to this data gap, a new thermal breakout technology is being developed that will provide a method for thermally inducing borehole breakouts and obtaining consistent measurements of the maximum horizontal stress magnitude. This thermal breakout technology involves heating the borehole and increasing the thermoelastic compressive stress in the rock until a breakout develops, which is directly correlated to the maximum horizontal stress magnitude. In support of developing the thermal breakout technology, polyaxial laboratory tests have been performed on small-scale boreholes within rock blocks where mechanically- and thermally-induced borehole breakouts have been created. Numerical models along with the principal of superposition were created and used to analyze the polyaxial laboratory tests to predict the maximum horizontal stress, given the same data that would be obtained in an actual subsurface borehole thermal breakout test. Multiple failure criteria were used to evaluate the best prediction of the breakout onset and maximum horizontal stress. The maximum horizontal stress predictions were compared to the actual maximum horizontal stress applied at breakout using acoustic events recorded from emission sensors in the polyaxial tests. The results showed consistent results that could be used to refine the modeling approach and failure criterion that are used to make the maximum horizontal stress predictions. This study provided insight and validation for the thermal breakout stress measurement concept.

Jones, Matt↗