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NASA NTRS2009

Understanding Atmospheric Catastrophes

The atmosphere, as in other parts of nature, is full of phenomena that involve rapid transitions from one (quasi-) equilibrium state to another--- i.e. catastrophes. These (quasi-) equilibria are the multiple solutions of the same dynamical system. Unlocking the mystery behind a catastrophe reveals not only the physical mechanism responsible for the transition, but also how the (quasi-) equilibria before and after the transition are maintained. Each catastrophe is different, but they do have some common traits. Understanding these common traits is the first step in studying these catastrophes. In this seminar, three examples chosen based on the speaker's research interest--tropical cyclogenesis, stratospheric sudden warming, and monsoon onset--are given to illustrate how atmospheric catastrophes can be studied.

Chao, Winston C.↗

NASA NTRS1992

Optimal Estimation of Rain Rate Profiles from Single-Frequency Radar Echoes

The significant ambiguities inherent in the determination of a particular vertical rain intensity profile from a given time profile of radar echo powers measured by a downward-looking (spaceborne or airborne) radar at a single attenuating frequency are well-documented. Indeed, one already knows that by appropriately varying the parameters of the reflectivity-rain-rate (Z - R) and/or attenuation-rain-rate (k - R) relationships, one can produce several substantially different hypothetical rain rate profiles which would have the same radar power profile. Imposing the additional constraint that the path-averaged rain-rate be a given fixed number does reduce the ambiguities but falls far short of eliminating them. While we now know how to generate as many mutually ambiguous rain-rate profiles from a given profile of received radar reflectivities as we like, there remains to produce a quantitative measure to assess how likely each of these profiles is, what the appropriate 'average' profile should be, and what the 'variance' of these multiple solutions is. Of course, in order to do this, one needs to spell out the stochastic constraints that can allow us to make sense of the words 'average' and 'variance' in a mathematically rigorous way. Such a quantitative approach would be particularly well-suited for such systems as the proposed Precipitation Radar of the Tropical Rainfall Measuring Mission (TRMM). Indeed, one would then be able to use the radar reflectivities measured by the TRMM radar from one particular look in order to estimate the most likely rain-rate profile that would have produced the measurements, as well as the uncertainty in the estimated rain-rates as a function of range. Such an optimal approach is described in this paper.

deep space flight computer real-time advanced spac↗

NASA NTRSDate not supplied

Laminar-Turbulent Transition in High Mach-Number Flows

Accurate prediction of laminar-turbulent transition is critical for the design and characterization of high-speed flight systems. Presently, laminar-turbulent transition prediction in computational fluid dynamics (CFD) is accomplished using PDE-based models coupled to the governing equations of the flow system. Current industrial models suffer significant performance issues when analyzing high-speed systems because they were developed for lower speed flows. Current research focuses on multiple solutions to this problem. The coupling of physics-based stability analysis tools which produce quality transition predictions for high-speed flows to NASA’s OVERFLOW CFD solver is being pursued, as well as the implementation and improvement of emerging models developed specifically for high-speed flow.

High-Speed Flow↗

NASA NTRS2022

A Reinforcement Learning Hyper-Heuristic in Multi-Objective Optimization with Application to Structural Damage Identification

Multi-objective optimization allows satisfying multiple decision criteria concurrently, and generally yields multiple solutions. It has the potential to be applied to structural damage identification applications which are oftentimes under-determined. How to achieve high-quality solutions in terms of accuracy, diversity, and completeness is a challenging research subject. The solution techniques and parametric selections are believed to be problem specific. In this research, we formulate a reinforcement learning hyper-heuristic scheme to work coherently with the single-point search algorithm MOSA/R (Multi-Objective Simulated Annealing Algorithm based on Re-seed). The four low-level heuristics proposed can meet various optimization requirements adaptively and autonomously using the domination amount, crowding distance, and hypervolume calculations. The new approach exhibits improved and more robust performance than AMOSA, NSGA-II, and MOEA/D when applied to benchmark test cases. It is then applied to an active damage interrogation scheme for structural damage identification where solution diversity/completeness and accuracy are critically important. Results show that this approach can successfully include the true damage scenario in the solution set identified. The outcome of this research can potentially be extended to a variety of applications.

Pei Cao↗

NASA NTRS1978

Calculation of Pareto-optimal solutions to multiple-objective problems using threshold-of-acceptability constraints

A technique is presented for the calculation of Pareto-optimal solutions to a multiple-objective constrained optimization problem by solving a series of single-objective problems. Threshold-of-acceptability constraints are placed on the objective functions at each stage to both limit the area of search and to mathematically guarantee convergence to a Pareto optimum.

Giesy, D. P.↗

NASA NTRS1985

The formation of a standing shock in a polytropic solar wind model within 1-10 Rs

It is shown how a one-fluid polytropic solar wind model exhibits properties similar to an isothermal wind when localized momentum and/or rapid area divergence produce multiple critical points in the flow. In particular, it is shown that when the sonic transition in the flow occurs closer to the coronal base, multiple steady solutions can exist. These multiple steady solutions consist of a contiuous solution passing through the innermost critical point and other steady solutions involving a steady shock transition. By following the temporal evolution of the solar wind from a steady state with one critical point to a steady state with three critical points, it is shown that a standing shock solution is more likely to develop than a continuous solution when momentum deposition occurs close to the coronal base and the equation of motion admits multiple steady solutions. This result is particularly relevant to the solar wind when momentum deposition occurs as a result of a rapidly diverging coronal hole geometry.

Habbal, S. R.↗

DOE OSTI2021

Amphiphile conformation impacts aggregate morphology and solution structure across multiple lengthscales

Although the self-assembly of amphiphiles is well-studied in aqueous solutions, much less is understood about the fundamental driving forces and structure property relationships in non-polar media. In recent work [Journal of Physical Chemistry B, 2020, 124, 10822.] the authors have studied a series of malonomide-based amphiphiles that are relevant to liquid-liquid extraction. That work demonstrated that aggregation is largely driven by local dipole-dipole interactions between molecules. Here, we build upon this observation to develop a more detailed understanding of how the balance of dipole-dipole interactions (controlled by conformation) and molecular architecture influences the morphology of the aggregates across lengthscales. Using constrained molecular dynamics about key degrees of freedom, we demonstrate that the conformation of N,N-dimethyl,N,N-dioctylhexylethoxy malonamide (DMDOHEMA) and N,N-dimethyl,N,N-dibutyltetradecyl malonamide (DMDBTDMA) has a significant impact upon self-association - where appropriate conformational sampling is essential. To quantify the aggregate morphology, several graph theoretic and persistent homology based properties are determined. The former examines the patterns of intermolecular interactions within clusters, while the latter examines the 3-dimensional spatial distribution. Based upon these analyses, we find that the morphology of aggregates, particularly at higher malonamide concentration, depends on a balance of dipole alignment and alkyl tail sterics. Dipole alignment encourages linear patterns of the intermolecular interactions within aggregates, while the alkyl tail steric interactions between the malonamide result in noticeably less linear aggregates for DMDOHEMA than DMDBTDMA. This is reflected in the spatial distribution, where more holes or voids exist between extractants within the DMDOHEMA that distribute within the solution in more of a "swiss cheese" arrangement as opposed to the more filamentous distribution of DMBDTDMA. This study links conformation and molecular structure to the morphology of amphiphile assemblies, and serves as a basis for ongoing study of multicomponent amphiphile solutions with polar and other solutes, and how these impact aggregation phenomena.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Microbial potentiometric sensor technology for real-time detecting and monitoring of toxic metals in aquatic matrices

Considering that toxic metals can affect metabolic processes in microorganisms adversely, it can be hypothesized that these metals in water matrices would induce a decrease in metabolic activity of the biofilm microorganisms populating the surface of a sensing electrode, which could be registered as a change in the open-circuit potential (OCP) generated by the biofilm microorganisms. The goal of this study was to test this hypothesis and demonstrate the underlying principle that microbial potentiometric sensor (MPS) technology could be used for long-term and real-time monitoring and detection of rapid changes in metal concentrations in realistic aquatic environments. To address the goal, four objective were addressed: (1) a batch reactor with three graphite-based MPS electrodes was fabricated; (2) a set of single-ion solutions and one multiple ion solution were prepared reflecting realistic concentrations of metals found in electroplating wastewaters; (3) the responses of the MPS to the simultaneous presence of multiple toxic metal ions in a single solution were measured; and (4) the changes of the MPS signals to the presence of individual metal ion solutions were examined. While the hypothesis was validated, the study also revealed that the MPS was sufficiently sensitive to not only detect, but also quantify, toxic metal ion concentrations in aqueous solutions. The coefficients of determination, which were R 2 > 0.995, and responsiveness of <1 μmol/L for some toxic metal cations, strongly support the performance of MPS technology in the echelons of expensive analytical tools capable detecting and measuring trace elements.The magnitude of the MPS response was toxic metal specific. When the molar concertation normalizes the inhibition portion of the signal area, the assessed sensitivity order was: Se>Cd>Pb>Ag>Ni> Zn. The study provides valuable information for enforcement agents, environmental professionals, and wastewater treatment operators, so toxic metal pollution and its detrimental impacts can be prevented and mitigated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1987

A canopy reflectance model based on an analytical solution to the multiple scattering equation

An approximation to the radiative transfer equation for solar radiation in relatively full, homogeneous plant canopies is presented and solved analytically for solar zenith angles less than 60 deg. The model predicts reflectance at any depth in the canopy and in any direction and may be inverted with bidirectional reflectance measurements. The model was fit to data at two sun angles and two wavebands (visible and NIR) to within the assumed errors on the reflectance data. The calculated albedos are insensitive to achievable measurement errors. Some of the parameter values themselves found by the inversion agree reasonably well with independent measurements, but the uncertainties introduced by the data noise are rather large. However, the agreement is good enough to demonstrate that the model is physically realistic.

Camillo, Peter↗

NASA NTRS1987

A numerical solution of Duffing's equations including the prediction of jump phenomena

Numerical methodology for the solution of Duffing's differential equation is presented. Algorithms for the prediction of multiple equilibrium solutions and jump phenomena are developed. In addition, a filtering algorithm for producing steady state solutions is presented. The problem of a rigidly clamped circular plate subjected to cosinusoidal pressure loading is solved using the developed algorithms (the plate is assumed to be in the geometrically nonlinear range). The results accurately predict regions of solution multiplicity and jump phenomena.

Moyer, E. T., Jr.↗

NASA NTRS1984

Integrated-optical approaches to matrix multiplication

The solution of matrix equations is essential to carrying out a large variety of control algorithms and to reducing certain types of data such as the output of a multispectral sensor array. Optical techniques and, in particular, integrated-optical circuits (IOC's) can provide compact, low-power devices for performing the mitrix multiplications necessary for the solution of these problems. A specific IOC for performing vector-matrix multiplication and several approaches to the design of IOC's for matrix-matrix multiplication will be discussed.

Verber, C. M.↗

NASA NTRS1985

On the nonlinear characteristics of the axisymmetric flow regime: Cylindrical and spherical systems

The physical relationship between steady axisymmetric flows that might be observed in the atmosphere and in laboratory vessels is investigated theoretically. This is accomplished by comparing both the nonlinear structure and the thermal forcing mechanisms in two truncated spectral models of flow in the atmosphere and the rotating laboratory cylinder, respectively. Under statically stable conditions, the response of the internally forced spherical model (which is developed here from a set of new orthonormal basis functions) exhibits steady behavior different from that in the externally forced cylindrical model. Two regions of multiple steady solutions occur in the cylindrical model, under stable conditions, that are not found in the spherical one. The possible physical relevance of these multiple solutions is investigated by determining their location in parameter space with respect to the classical Hadley-Rossby transition curve. The results suggest that the wave flow regime, in an annulus, might develop catastrophically when an upper symmetric flow ceases to exist.

Higgins, R. W.↗

NASA NTRS1980

Analytic solutions for single and multiple cylinders of gravitating polytropes in magnetostatic equilibrium

Exact analytic solutions for the static equilibrium of a gravitating plasma polytrope in the presence of magnetic fields are presented. The means of generating various equilibrium configurations to illustrate directly the complex physical relationships between pressure, magnetic fields, and gravity in self-gravitating systems is demonstrated. One of the solutions is used to model interstellar clouds suspended by magnetic fields against the galactic gravity such as may be formed by the Parker (1966) instability. It is concluded that the pinching effect of closed loops of magnetic fields in the clouds may be a dominant agent in further collapsing the clouds following their formation.

Lerche, I.↗

DOE OSTI2024

Multi-Fidelity Scheme for Accelerating 4D Finite Element Analysis for Mircoreactors

Next-generation microreactors are currently being designed to be operated terrestrial and extraterrestrial for remote surface power production. These systems will provide an alternative source of carbon-free energy that is versatile and can be utilized for various applications. These applications of microreactors have prompted the usage of high-fidelity unstructured finite element (FE) based approaches to provide time-dependent solutions for multiple physics fields. Computing these high-fidelity (4-D) solutions for multiple design iterations, physics fields, and transient events requires an immense computational cost. These high-fidelity solutions are computational expensive and the cost can be reduced through the implementation of less accurate low-fidelity solutions. Unlike the current fleet of commercial nuclear reactors, these next-gen systems present challenges due to the material and physical limitations required. Due to these constraints, the brute force technique of parameterizing important system characteristics determines whether a design meets the project objective. A system such as a nuclear reactor could have thousands of design parameters that affect system performance. In order to analyze the entire parameter space of such a complex system would require millions of CPU hours and countless design iterations. This costly approach is not practical due to regulatory and budget limitations. In this proposal, an approach that utilizes hybrid high-fidelity and low-fidelity FE models to reduce the computational cost of evaluating these applications in 4-D will be presented. The accuracy of the high-fidelity model and the computational efficiency of the low-fidelity model are taken advantage of to produce a solution that closely resembles the full order high-fidelity solution. By utilizing an unconverged coarse FE mesh, operation limits such as temperature, structural loading, etc., can be evaluated in an accelerated fashion and then can be spatially interpolated onto a finer mesh. The resulting error arising from the coarse mesh can be mitigated with a discrepancy function that actively quantifies and corrects the error in the coarse solution. This discrepancy function can be periodically updated with high-fidelity calculations across the temporal domain thus requiring less iterations on the fine mesh. As a result, the computational cost can be reduced for the evaluation and design iteration of microreactors. The proposal for this research contains three sections: Section 2 provides a literature review, Section 3 outlines the methodology for the proposed multi-fidelity scheme, and Section 4 displays preliminary results of the proposed research.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1975

Numerical solution of the Navier-Stokes equations for arbitrary two-dimensional multi-element airfoils

Abstracts are presented on a method of numerical solution of the Navier-Stokes equation for the flow about arbitrary airfoils, using a numerically generated curvilinear coordinate system having a coordinate line coincident with the body contour. Results of continuing research are reported and include: application of the Navier-Stokes solution in the vorticity-stream function formulation to a number of single airfoils at Reynolds numbers up to 2000; programming of the Navier-Stokes solution for multiple airfoils in the primitive variable formulation; testing of the potential flow solution of multiple bodies; and development of a generalized coordinate system program.

Thompson, J. F.↗

DOE OSTI2022

Optimization of Water-Alternating-CO2 Injection Field Operations Using a Machine-Learning-Assisted Workflow

Summary This paper will present a robust workflow to address multiobjective optimization (MOO) of carbon dioxide (CO2)-enhanced oil recovery (EOR)-sequestration projects with a large number of operational control parameters. Farnsworth unit (FWU) field, a mature oil reservoir undergoing CO2 alternating water injection (CO2-WAG) EOR, will be used as a field case to validate the proposed optimization protocol. The expected outcome of this work would be a repository of Pareto-optimal solutions of multiple objective functions, including oil recovery, carbon storage volume, and project economics. FWU’s numerical model is used to demonstrate the proposed optimization workflow. Because using MOO requires computationally intensive procedures, machine-learning-based proxies are introduced to substitute for the high-fidelity model, thus reducing the total computation overhead. The vector machine regression combined with the Gaussian kernel (Gaussian-SVR) is used to construct proxies. An iterative self-adjusting process prepares the training knowledge base to develop robust proxies and minimizes computational time. The proxies’ hyperparameters will be optimally designed using Bayesian optimization to achieve better generalization performance. Trained proxies will be coupled with multiobjective particle swarm Optimization (MOPSO) protocol to construct the Pareto-front solution repository. The outcomes of this workflow will be a repository containing Pareto-optimal solutions of multiple objectives considered in the CO2-WAG project. The proposed optimization workflow will be compared with another established methodology using a multilayer neural network (MLNN) to validate its feasibility in handling MOO with a large number of parameters to control. Optimization parameters used include operational variables that might be used to control the CO2-WAG process, such as the duration of the water/gas injection period, producer bottomhole pressure (BHP) control, and water injection rate of each well included in the numerical model. It is proved that the workflow coupling Gaussian-SVR proxies and the iterative self-adjusting protocol is more computationally efficient. The MOO process is made more rapid by squeezing the size of the required training knowledge base while maintaining the high accuracy of the optimized results. The outcomes of the optimization study show promising results in successfully establishing the solution repository considering multiple objective functions. Results are also verified by validating the Pareto fronts with simulation results using obtained optimized control parameters. The outcome from this work could provide field operators an opportunity to design a CO2-WAG project using as many inputs as possible from the reservoir models. The proposed work introduces a novel concept that couples Gaussian-SVR proxies with a self-adjusting protocol to increase the computational efficiency of the proposed workflow and to guarantee the high accuracy of the obtained optimized results. More importantly, the workflow can optimize a large number of control parameters used in a complex CO2-WAG process, which greatly extends its utility in solving large-scale MOO problems in various projects with similar desired outcomes.

Energy & Fuels↗

DOE OSTI2024

AMReX v2024

The software framework, AMReX, supports the development of block-structured adaptive mesh refinement (AMR) algorithms for solving systems of partial differential equations. AMR reduces the computational cost and memory footprint compared to a uniform mesh while preserving the essential local descriptions of different physical processes in complex multiphysics algorithms. AMR uses a hierarchical representation of the solution at multiple levels of resolution where the solution on each level is defined on the union of data containers at that resolution. These data containers, which represent the solution over a logically rectangular subregion of the domain, can contain field data defined on a mesh, Lagrangian particles or combinations of both. In addition to these basic data types, AMReX supports a multilevel embedded boundary representation of complex geometry; linear solvers for cell-centered and nodal data; asynchronous I/O in a native format readable by ParaView, VisIt and yt; and interfaces to hypre and PETSc solvers. AMReX enables applications to run on distributed memory architectures with multicore CPUs and with GPU accelerators. AMReX uses a lightweight abstraction layer that effectively hides the details of the architecture from the application. The framework currently supports CUDA, HIP and SYCL for GPU acceleration and OpenMP for multi-core CPU architectures.

Almgren, Ann↗

DOE OSTI2023

Understanding Ionizing Radiation-Induced Speciation, Chemistry, and Transport in Nuclear Materials

The research to be presented will cover an overview of three projects supported by the United States Department of Energy Office of Science Solar Photochemistry Program: (i) Radiation-Induced Late Actinide Redox Chemistry (2019–2022); (ii) Understanding Radiation-Induced Iodine Speciation, Chemistry, and Transport in High Temperature Molten Salts (2022–2025); and (iii) Radiation-Induced Chemistry of Nuclear Materials (2023–2026). The overarching aim of these distinct projects is to develop a deep fundamental mechanistic understanding of ionizing-radiation-induced processes occurring in solutions over multiple time and length scales. Investigated solutions range from aqueous to organic to molten salt liquids in the presence and absence of ligands and various redox-active ions and molecules, including the actinides. The ultimate goal of these projects is to utilize the new foundational knowledge gained to construct quantitative multiscale computer models with the capacity to predict radiation-induced behavior in complex systems of relevance to nuclear energy technologies and beyond.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗