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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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NASA NTRS1999

Hydrodynamic Stability and Magnetic Reconnection in Disks and Stars

The purpose of this grant is to study parametric instability. The simplest example of parametric instability is a harmonic oscillator with a periodic modulation of the spring constant. If the modulation frequency is close to twice the natural frequency of the oscillator, the amplitude of oscillation tends to grow exponentially. The growth rate is proportional to the strength of the modulation, but it also depends upon the closeness to resonance of the two frequencies, and upon natural damping rate or "Q" of the oscillator. Parametric instabilities are very common in physics. A familiar example is a jogger's ponytail--normally a very strongly damped pendulum, it can be destabilized by the variation in effective gravity during the jogger's stride. Observation confirms that the period of the pendulum is half that of the jogger's vertical motion. In astrophysics, parametric instability may occur by external tidal forcing, or by interaction among eigenmodes. In the latter case, an energetic eigenmode may destabilize modes of half its frequency, provided some weak nonlinearity exists to couple them. Under a previous Astrophysical Theory grant (NAGW-2419), the PI discovered a parametric instability of tidally forced disks such as the accretion disks in cataclysmic variables and X ray binaries [2]. The destabilized modes are tightly-wound, incompressible, three-dimensional waves analogous to g-modes and r-modes in stars. Later work has confirmed our analysis [4]. It was hoped that these modes might provide a source of turbulence and angular momentum transport in accretion disks. However, a follow-up investigation of this instability by local numerical simulations, although confirming the analytically estimated growth rates, found negligible angular momentum flux [3]. Other work, partly supported by the ATP, now strongly indicates that the transport mechanism in such disks is magnetohydrodynamic turbulence [6]. Nevertheless, the parametric mechanism may truncate the outer edges of disks in close binaries [2], and it may be important in disks of very low ionization such as protostellar disks, or even cataclysmic-variable disks in quiescence where the MHD mechanism may be ineffective [5]. All analyses up to 1996 were done in a local approximation where the orbital frequency, shear rate, and tidal field were treated as constants. The locally computed growth rate turns out to depend strongly on radius, and it was unclear how to average these local rates to obtain the correct global rate. This is a critical issue for accretion disks in close binaries, because the local growth rate is comparable to the orbital frequency towards the outer edge of the disk but decreases rapidly inwards. Paper #1 examined this issue in a simplified global model where the destabilizing terms vary with position. We found that the global growth rate is essentially equal to the maximum local rate, provided that the latter is smoothed over a radial range equal to the distance that the destabilized wave propagates at its group speed in one growth time. Thus, in an accretion disk, waves would grow rapidly in the outer parts but would propagate both inwards and outwards at a maximum group speed of order the disk thickness divided by the orbital period.

Goodman, Jeremy↗
NASA NTRS1995

Coupled Ablation, Heat Conduction, Pyrolysis, Shape Change and Spallation of the Galileo Probe

The Galileo probe enters the atmosphere of Jupiter in December 1995. This paper presents numerical methodology and detailed results of our final pre-impact calculations for the heat shield response. The calculations are performed using a highly modified version of a viscous shock layer code with massive radiation coupled with a surface thermochemical ablation and spallation model and with the transient in-depth thermal response of the charring and ablating heat shield. The flowfield is quasi-steady along the trajectory, but the heat shield thermal response is dynamic. Each surface node of the VSL grid is coupled with a one-dimensional thermal response calculation. The thermal solver includes heat conduction, pyrolysis, and grid movement owing to surface recession. Initial conditions for the heat shield temperature and density were obtained from the high altitude rarefied-flow calculations of Haas and Milos. Galileo probe surface temperature, shape, mass flux, and element flux are all determined as functions of time along the trajectory with spallation varied parametrically. The calculations also estimate the in-depth density and temperature profiles for the heat shield. All this information is required to determine the time-dependent vehicle mass and drag coefficient which are necessary inputs for the atmospheric reconstruction experiment on board the probe.

Milos, Frank S.↗
DOE OSTI2023

ORNL_AISD-Ex: Quantum chemical prediction of UV/Vis absorption spectra for over 10 million organic molecules

We performed calculations of electronic excitation energies and associated oscillator strengths based on the time-dependent density-functional tight-binding (TD-DFTB) method [1]. The SMILES (Simplified molecular-input line-entry system) strings of the molecules from the AISD HOMO-LUMO database [2] were converted to a 3D atomistic structure and stored in a PDB file after preliminary geometry optimization using the Merck Molecular Force Field (MMFF94) in RDKit [3,4]. The primary information stored in the PDB file archive consists of Cartesian coordinates for each atom of the molecule in their 3D location in space, along with summary information about the structure, sequence, and experiment. We then performed molecular geometry optimization using the density-functional tight-binding (DFTB) method [5] in the electronic ground state, followed by single-point excited states calculations, as described below. We note that, since RDKit employs a random choice for the generation of molecular conformers, the molecular geometries obtained in this dataset could be different from the ones that were generated when the AISD HOMO-LUMO dataset was generated. The computed excitation energies and associated oscillator strengths can be converted to predict UV/Vis absorption spectra, where excitation energies correspond to absorption peak positions, and oscillator strengths are a good measure of the probability of absorption of visible or UV light in transitions between electronic ground and excited states. The conversion of SMILES strings to 3D Cartesian coordinates of fully DFTB-optimized molecules was successful for 10,502,904 out of 10,502,917 molecules. For these molecules, both geometry optimizations and excited states calculations were successful. The DFTB calculations did not complete for 13 molecules of the original AISD HOMO-LUMO dataset. We still provide information about the geometry of these molecules. The molecules are diverse for chemical compositions (which span 5 non-hydrogen elements: oxygen, carbon, nitrogen, fluorine, sulfur) and molecular size (the smallest molecule contains 5 non-hydrogen atoms, and the largest molecule contains 71 non-hydrogen atoms). The DFTB method [5] is an approximation to density functional theory (DFT), utilizing a minimal basis set in conjunction with a two-center approximation to the electronic Hamiltonian and overlap matrix elements. The DFTB total energy is the sum of an electronic and a repulsive energy contribution, and their calculation requires optimized electronic parameters and diatomic repulsive potential energy functions. All DFTB calculations were performed using the DFTB+ code [6] (version 21.2) and the wrapper for DFTB+ in the Atomic Simulation Environment (ASE) (version 3.22.1) [7], which performed an internal conversion of Cartesian coordinates from PDB to the .gen file format. For the geometry optimizations on the electronic ground state potential energy surface of the molecules, we have chosen the third-order DFTB (DFTB3) method [5c] and employed the matching 3ob set of electronic parameters and repulsive potentials [8]. The empirical γ-damping for hydrogen bond correction, and Grimme's D3 empirical dispersion correction with Becke-Johnson damping (D3(BJ)) [9] dispersion correction was included to improve the description of non-covalent interactions. For excited states single-point energy calculations, we employed the TD-DFTB method in conjunction with the DFTB2 method [5b] and the matching mio [5b,10] and halorg [11] parameter sets. We opted to request the simultaneous calculation of 50 excited states for singlet transition to investigate sufficient number of excited states, based on linear response theory using the Casida equation [Ref: T. A. Niehaus, S. Suhai, F. Della Sala, P Lugli, M. Elstner, G. Seifert, and Th. Frauenheim. Tight-binding approach to time-dependent density-functional response theory. Phys. Rev. B, 63:085108, 2001] and the ARPACK diagonalizer [R. B. Lehoucq, D. C. Sorensen, and C. Yang. Arpack users guide: Solution of large-scale eigenvalue problems by implicitly restarted arnoldi methods, 1997. 46, 51]. The dataset contains 1001 tar.gz files. Tar files are named as “ornl_aisd_ex_1.tar.gz†through “ornl_aisd_ex_1000.tar.gzâ€. Additionally, the 13 failed molecules are in “ornl_aisd_ex_unprocessed.tar.gzâ€. Except for the tar files listed below, each tar file contains 10,500 molecules. Tar files numbered 34, 121, 128, 352, 360, 429, 495, 509, 518, 627, 676, 668, and 862 contain 10,499 molecules each. The last tar file numbered 1000 contains 13,417 molecules. The total size of the uncompressed dataset is over 283 Gigabytes. The code for calculating the electronic excitation energies and statistical analysis of the dataset is provided at the following GitLab repository: https://github.com/ORNL/Analysis-of-Large-Scale-Molecular-Datasets-with-Python Calculating the UV spectrum of a molecule requires performing 3 main operations: 1. Converting the smiles string representation of a molecule into a geometric structure where each atom is assigned XYZ coordinates. The geometric structure is written to the file smiles.pdb. 2. Using smiles.pdb to compute the relaxed geometry of the molecule, which corresponds with the position of the atoms at the position of equilibrium at the ground state. This generates the files band.out, detailed.out, and geo_end.gen. 3. Using geo_end.gen to calculate the UV spectrum of the molecule which is written into the file EXC.DAT. Every molecule in the dataset has its own directory. The files contained in each molecule directory are as follows: 1. geo_end.gen 2. detailed.out 3. band.out 4. EXC.DAT 5. smiles.pdb REFERENCES [1] Niehaus, T. A.; Suhai, S.; Della Salla, F.; Lugli, P.; Elstner, M.; Seifert, G.; Frauenheim, Th. Tight-binding approach to time-dependent density-functional response theory. Phys. Rev. B, 2001, 63, 085108/1-9. [2] Blanchard, A.; Gounley, J.; Metha, K.; Yoo, P.; Irle, S. AISD HOMO-LUMO. DOI: 10.13139/ORNLNCCS/1869409 [3] RDKit: Cheminformatics and Machine Learning Software. 2013, [http://www.rdkit.org] [4] Tosco, P.; Stiefl, N. and Landrum, G. Bringing the MMFF force field to the RDKit: implementation and validation. J Cheminform. 2014, 6, 1–4. [5] a) Porezag, D.; Frauenheim, T.; Kohler, T.; Seifert, G.; Kaschner, Construction of tight-binding-like potentials on the basis of density-functional theory: Application to carbon, R. Phys. Rev. B 1995, 51, 12947-12957; b) Elstner, M.; Porezag, D.; Jungnickel, G.; Elsner, J.; Haugk, M.; Frauenheim, Th.; Suhai, S.; Seifert, G.; Phys. Rev. B 1998, 58, 7260-7268; c) Gaus, M.; Cui, Q.; Elstner, M. DFTB3: Extension of the Self-Consistent-Charge Density-Functional Tight-Binding Method (SCC-DFTB), J. Chem. Theory Comput. 2011, 7, 931-948; d) Cui, Q.; Elstner, M. Density functional tight binding: values of semi-empirical methods in an ab initio era, Phys. Chem. Chem. Phys. 2014, 16, 14368-14377. [6] Hourahine, B. et al. DFTB+, a software package for efficient approximate density functional theory based atomistic simulations, J. Chem. Phys. 2020, 152, 124101/1-19. [7] Larsen, A. H. et al. The atomic simulation environment—a Python library for working with atoms. J. Phys.: Cond. Matter 2017, 29, 273002. [8] Kubillus, M.; Kubar, T.; Gaus, M.; Rezac, J.; Elstner, M. Parameterization of the DFTB3 Method for Br, Ca, Cl, F, I, K, and Na in Organic and Biological Systems, J. Chem. Theory Comput. 2015, 11, 332-342. [9] Brandenburg, J. G.; Grimme, S. Accurate Modeling of Organic Molecular Crystals by Dispersion-Corrected Density Functional Tight Binding (DFTB), J. Phys. Chem. Lett. 2014, 5, 1785−1789. [10] a) Niehaus, T. A.; Elstner, M.; Frauenheim, Th.; Suhai, S. Application of an approximate density-functional method to sulfur containing compounds. J. Mol. Struct.: THEOCHEM 2001, 541, 185-94; b) Elstner, M.; Hobza, P.; Frauenheim, Th.; Suhai, S.; Kaxiras, E. Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment. J. Chem. Phys. 2001, 114, 5149-55. [11] Kubar, T.; Bodrog, Z.; Gaus, M.; Köhler, C.; Aradi, B.; Frauenheim, Th.; Elstner, M. Parametrization of the SCC-DFTB Method for Halogens. J. Chem. Theory Comput. 2013, 9, 2939-49.

36 MATERIALS SCIENCE↗
NASA NTRS1992

The kinematics of buoyancy induced mixing

A model problem to study mixing driven by buoyancy flow fields due to a time dependent body force which consists of a steady and an oscillatory component is considered. Flow fields generated by a time dependent body force, which consists of a steady and an oscillatory component from vibrations or g-jitter, mix two fluids inside a cavity by stretching and folding the interface into various morphological patterns. These patterns show two basic structures depending on the dominant components of the body force. These structures are whirls and tendrils, corresponding to the dominance of either the steady or oscillatory component, respectively. A combination of these structures also occurs in the interaction region. In this region the effect of the steady component opposes the oscillatory component and the result is to smooth the interface, and prevent breakup of the interface. For the parametric range considered, two basic flow regimes occur: convective and chaotic. In the convective regime, the morphological patterns are topological. In the chaotic regime, mixing occurs by a repetitive sequence of bubble formation, necking, and breakup which spreads the concentration field throughout the cavity. The length stretch of the interface increases exponentially with time. The dynamical system characteristics show that in the convective regime, at a point in space, the flow field is oscillatory with elliptical phase space trajectories, and its power spectrum indicates that the flow field responds to the corresponding input frequency. Whereas, in the chaotic regime, the flow field is aperiodic, the phase space trajectories show irregular patterns, and the power spectrum shows a broadband distribution.

Duval, Walter M. B.↗
NASA NTRS2005

Business Intelligence Modeling in Launch Operations

This technology project is to advance an integrated Planning and Management Simulation Model for evaluation of risks, costs, and reliability of launch systems from Earth to Orbit for Space Exploration. The approach builds on research done in the NASA ARC/KSC developed Virtual Test Bed (VTB) to integrate architectural, operations process, and mission simulations for the purpose of evaluating enterprise level strategies to reduce cost, improve systems operability, and reduce mission risks. The objectives are to understand the interdependency of architecture and process on recurring launch cost of operations, provide management a tool for assessing systems safety and dependability versus cost, and leverage lessons learned and empirical models from Shuttle and International Space Station to validate models applied to Exploration. The systems-of-systems concept is built to balance the conflicting objectives of safety, reliability, and process strategy in order to achieve long term sustainability. A planning and analysis test bed is needed for evaluation of enterprise level options and strategies for transit and launch systems as well as surface and orbital systems. This environment can also support agency simulation .based acquisition process objectives. The technology development approach is based on the collaborative effort set forth in the VTB's integrating operations. process models, systems and environment models, and cost models as a comprehensive disciplined enterprise analysis environment. Significant emphasis is being placed on adapting root cause from existing Shuttle operations to exploration. Technical challenges include cost model validation, integration of parametric models with discrete event process and systems simulations. and large-scale simulation integration. The enterprise architecture is required for coherent integration of systems models. It will also require a plan for evolution over the life of the program. The proposed technology will produce long-term benefits in support of the NASA objectives for simulation based acquisition, will improve the ability to assess architectural options verses safety/risk for future exploration systems, and will facilitate incorporation of operability as a systems design consideration, reducing overall life cycle cost for future systems. The future of business intelligence of space exploration will focus on the intelligent system-of-systems real-time enterprise. In present business intelligence, a number of technologies that are most relevant to space exploration are experiencing the greatest change. Emerging patterns of set of processes rather than organizational units leading to end-to-end automation is becoming a major objective of enterprise information technology. The cost element is a leading factor of future exploration systems.

Bardina, Jorge E.↗
DOE OSTI2022

Anisotropic yield models for lattice unit cell structures exploiting orthotropic symmetry

We report numerical homogenization enables efficient computational analysis and design of multiscale structures made of micro-architected materials including lattice unit cells. However, predicting yield is nontrivial because it requires accurate and efficient predictions of the maximum stress inside the homogenized unit cells. To address this challenge, we develop a macroscale anisotropic yield function for micro-architected materials. The yield function depends on the three-dimensional macroscale stress state and the parameters describing a family of micro-architectures, such as the radii of the struts in a lattice unit cell. To ensure accuracy, we determine the maximum stress using three-dimensional continuum finite-element analysis. To ensure efficiency, we construct surrogate models from the aforementioned high-fidelity results for yield prediction. To reduce simulation costs and surrogate modeling complexity, we leverage orthotropic symmetry commonly found in lattice unit cells. In this paper, we provide a thorough presentation of group representations and the systematic procedure to exploit orthotropic domain symmetry in homogenization and surrogate modeling. We illustrate the use of linear homogenization results to predict yield in specific unit cells without further simulations. We furthermore show that surrogate modeling presents a viable option for anisotropic yield prediction in a continuously parametrized family of micro-architectures. More specifically, despite the dimensionality and degree of nonlinearity in the maximum micro von Mises stress within the unit cell, the surrogate models can predict it with less than 5% error at least 90% of the time. Moreover, the largest under-prediction error, which is more critical than the over-prediction error, is typically less than 10%.

42 ENGINEERING↗
DOE OSTI2024

The hyperplane of early-type galaxies: using stellar population properties to increase the precision and accuracy of the fundamental plane as a distance indicator

ABSTRACT We use deep spectroscopy from the SAMI (Sydney-AAO Multi-object Integral) Galaxy Survey to explore the precision of the fundamental plane (FP) of early-type galaxies as a distance indicator for future single-fibre spectroscopy surveys. We study the optimal trade-off between sample size and signal-to-noise ratio (SNR), and investigate which additional observables can be used to construct hyperplanes with smaller intrinsic scatter than the FP. We add increasing levels of random noise (parametrized as effective exposure time) to the SAMI spectra to study the effect of increasing measurement uncertainties on the FP- and hyperplane-inferred distances. We find that, using direct-fit methods, the values of the FP and hyperplane best-fitting coefficients depend on the spectral SNR, and reach asymptotic values for a mean $\langle \mathrm{ SNR} \rangle =40\, \mathrm{\mathring{\rm A}}^{-1}$. As additional variables for the FP we consider three stellar-population observables: light-weighted age, stellar mass-to-light ratio, and a novel combination of Lick indices ($I_\mathrm{age}$). For an $\langle \mathrm{ SNR} \rangle =45~\mathrm{\mathring{\rm A}}^{-1}$ (equivalent to 1-h exposure on a 4-m telescope), all three hyperplanes outperform the FP as distance indicators. Being an empirical spectral index, $I_\mathrm{age}$ avoids the model-dependent uncertainties and bias underlying age and mass-to-light ratio measurements, yet yields a 10 per cent reduction of the median distance uncertainty compared to the FP. We also find that, as a by-product, the $I_\mathrm{age}$ hyperplane removes most of the reported environment bias of the FP. After accounting for the different SNR, these conclusions also apply to a 50 times larger sample from SDSS-III (Sloan Digital Sky Survey). However, in this case, only $\mathrm{ age}$ removes the environment bias.

D’Eugenio, Francesco (ORCID:0000000323888172)↗
DOE OSTI2024

Intracore Natural Circulation Study in the High Temperature Test Facility

The development of the Modular High-Temperature Gas-Cooled Reactor is a significant milestone in advanced nuclear reactor technology. One of the concerns for the reactor’s safe operation is the effects of a loss-of-flow accident (LOFA) where the coolant circulators are tripped, and forced coolant flow through the core is lost. Depending on the steam generator placement, loop or intracore natural circulation develops to help transfer heat from the core to the reactor cavity, cooling system. This paper investigates the fundamental physical phenomena associated with intracore coolant natural circulation flow in a one-sixth Computational Fluid Dynamics (CFD) model of the Oregon State University High Temperature Test Facility (OSU HTTF) following a loss-of-flow accident transient. This study employs conjugate heat transfer and steady-state flow along with an SST k-ω turbulence model to characterize the phenomenon of core channel-to-channel natural convection. Previous studies have revealed the importance of complex flow distribution in the inlet and outlet plenums with the potential to generate hot coolant jets. For this reason, complete upper and lower plenum volumes are included in the analyzed computational domain. CFD results also include parametric studies performed for a mesh sensitivity analysis, generated using the STAR-CCM+ software. The resulting channel axial velocities and flow directions support the test facility scaling analysis and similarity group distortions calculation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1981

Acoustic and aerodynamic performance investigation of inverted velocity profile coannular plug nozzles

The results of model scale parametric static and wind tunnel aerodynamic performance tests on unsuppressed coannular plug nozzle configurations with inverted velocity profile are discussed. The nozzle configurations are high-radius-ratio coannular plug nozzles applicable to dual-stream exhaust systems typical of a variable cycle engine for Advanced Supersonic Transport application. In all, seven acoustic models and eight aerodynamic performance models were tested. The nozzle geometric variables included outer stream radius ratio, inner stream to outer stream ratio, and inner stream plug shape. When compared to a conical nozzle at the same specific thrust, the results of the static acoustic tests with the coannular nozzles showed noise reductions of up to 7 PNdB. Extensive data analysis showed that the overall acoustic results can be well correlated using the mixed stream velocity and the mixed stream density. Results also showed that suppression levels are geometry and flow regulation dependent with the outer stream radius ratio, inner stream-to-outer stream velocity ratio and inner stream velocity ratio and inner stream plug shape, as the primary suppression parameters. In addition, high-radius ratio coannular plug nozzles were found to yield shock associated noise level reductions relative to a conical nozzle. The wind tunnel aerodynamic tests showed that static and simulated flight thrust coefficient at typical takeoff conditions are quite good - up to 0.98 at static conditions and 0.974 at a takeoff Mach number of 0.36. At low inner stream flow conditions significant thrust loss was observed. Using an inner stream conical plug resulted in 1% to 2% higher performance levels than nozzle geometries using a bent inner plug.

Knott, P. R.↗
NASA NTRS1994

Interlaminar stress analysis of dropped-ply laminated plates and shells by a mixed method

A mixed method of approximation based on Reissner's variational principle is developed for the linear analysis of interlaminar stresses in laminated composites, with special interest in laminates that contain terminated internal plies (dropped-ply laminates). Two models are derived, one for problems of generalized plane deformation and the other for the axisymmetric response of shells of revolution. A layerwise approach is taken in which the stress field is assumed with an explicit dependence on the thickness coordinate in each layer. The dependence of the stress field on the thickness coordinate is determined such that the three-dimensional equilibrium equations are satisfied by the approximation. The solution domain is reduced to one dimension by integration through the thickness. Continuity of tractions and displacements between layers is imposed. The governing two-point boundary value problem is composed of a system of both differential and algebraic equations (DAE's) and their associated boundary conditions. Careful evaluation of the system of DAE's was required to arrive at a form that allowed application of a one-step finite difference approximation. A two-stage Gauss implicit Runge-Kutta finite difference scheme was used for the solution because of its relatively high degree of accuracy. Patch tests of the two models revealed problems with solution accuracy for the axisymmetric model of a cylindrical shell loaded by internal pressure. Parametric studies of dropped-ply laminate characteristics and their influence on the interlaminar stresses were performed using the generalized plane deformation model. Eccentricity of the middle surface of the laminate through the ply drop-off was found to have a minimal effect on the interlaminar stresses under longitudinal compression, transverse tension, and in-plane shear. A second study found the stiffness change across the ply termination to have a much greater influence on the interlaminar stresses.

Harrison, Peter N.↗
DOE OSTI2022

Modeling the non-Schmid crystallographic slip in MAX phases

We present a crystal plasticity constitutive relation for the description of experimentally observed non-Schmid crystallographic slip in a class of ternary carbides and nitrides commonly referred to as MAX phases. In the constitutive relation, we assume that the evolution of the slip system strength in MAX phases has two components – a classical component that depends on the Taylor cumulative shear strain and a non-Schmid component that depends on the stress normal to the slip plane. The non-Schmid crystal plasticity constitutive relation is then used to carry out finite element simulations of micropillar compression of single crystals of two MAX phases, Ti 2 AlC and Ti 3 AlC 2 . The finite element simulations not only quantitatively predict the stress – strain response of a wide range of crystallographic orientations of the micropillars but also rationalize the non-uniform deformation and the deformed shape of the micropillars observed in the experiments for the two materials. As a result, parametric studies are also carried out to quantify the role of the non-Schmid effect and understand the effects of key experimental parameters on the stress – strain response of the micropillars of the two MAX phases.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Development Support for NREL's System Advisor Model (SAM): Cooperative Research and Development, CRADA Number CRD-20-16998 (Final Report)

The variable nature of renewable generation, which depends on the sun shining and wind blowing for example, presents challenges for adequate and least-cost resource planning. The deployment of renewable generation assets is anticipated to increase due to various drivers, such as declining costs, favorable government policies, and increasing procurement by corporations and consumers. High levels of renewable penetration are anticipated to pose flexibility, reliability, and cost challenges to the electrical system. The development and implementation of new features into performance modeling software, such as the National Renewable Energy Laboratory's (NREL) System Advisor Model (SAM), is one way to help think through these challenges and develop appropriate strategies.

14 SOLAR ENERGY↗
NASA NTRS1992

Effect of afterbody geometry on aerodynamic characteristics of isolated nonaxisymmetric afterbodies at transonic Mach numbers

A parametric study was conducted in the Langley 16-Foot Transonic Tunnel on an isolated nonaxisymmetic fuselage model that simulates a twin-engine fighter. The effects of aft-end closure distribution (top/bottom) nozzle-flap boattail angle versus nozzle-sidewall boattail angle) and afterbody and nozzle corner treatment (sharp or radius) were investigated. Four different closure distributions with three different corner radii were tested. Tests were conducted over a range of Mach numbers from 0.40 to 1.25 and over a range of angles of attack from -3 to 9 degrees. Solid plume simulators were used to simulate the jet exhaust. For a given closure distribution in the range of Mach numbers tested, the sharp-corner nozzles generally had the highest drag, and the 2-in. corner-radius nozzles generally had the lowest drag. The effect of closure distribution on afterbody drag was highly dependent on configuration and flight condition.

Bangert, Linda S.↗
DOE OSTI2022

Dark Energy Survey year 3 results: Constraints on cosmological parameters and galaxy-bias models from galaxy clustering and galaxy-galaxy lensing using the redMaGiC sample

We constrain cosmological parameters and galaxy-bias parameters using the combination of galaxy clustering and galaxy-galaxy lensing measurements from the Dark Energy Survey (DES) year-3 data. We describe our modeling framework and choice of scales analyzed, validating their robustness to theoretical uncertainties in small-scale clustering by analyzing simulated data. Using a linear galaxy-bias model and redMaGiC galaxy sample, we obtain 10% constraints on the matter density of the Universe. Here, we also implement a nonlinear galaxy-bias model to probe smaller scales that includes parametrization based on hybrid perturbation theory and find that it leads to a 17% gain in cosmological constraining power. We perform robustness tests of our methodology pipeline and demonstrate stability of the constraints to changes in the theory model. Using the redMaGiC galaxy sample as foreground lens galaxies and adopting the best-fitting cosmological parameters from DES year-1 data, we find the galaxy clustering and galaxy-galaxy lensing measurements to exhibit significant signals akin to decorrelation between galaxies and mass on large scales, which is not expected in any current models. This likely systematic measurement error biases our constraints on galaxy bias and the S 8 parameter. We find that a scale-, redshift- and sky-area-independent phenomenological decorrelation parameter can effectively capture this inconsistency between the galaxy clustering and galaxy-galaxy lensing. We trace the source of this correlation to a color-dependent photometric issue and minimize its impact on our result by changing the selection criteria of redMaGiC galaxies. Using this new sample, our constraints on the S 8 parameter are consistent with previous studies and we find a small shift in the Ω m constraints compared to the fiducial redMaGiC sample. We infer the constraints on the mean host-halo mass of the redMaGiC galaxies in this new sample from the large-scale bias constraints, finding the galaxies occupy halos of mass approximately 1.6 × 10 13 M ⊙ /h.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2018

Norton-Thevenin Receptance Coupling (NTRC) as a Payload Analysis Tool

The NASA Engineering and Safety Center (NESC) has funded a study of a new method formulated by NASA Engineers called Norton-Thevenin Receptance Coupling (NTRC) to perform coupled loads analysis (CLA). The problem that NTRC attempts to solve is the dependency of the payload organization to high CLA costs, long schedules, lack of standard capabilities to evaluate multiple configurations and unavailability of loads when needed. NTRC solves the problem by providing a tool that payload developers can use to obtain loads at a fraction of the cost of a CLA at any time that it is required. While NTRC is not intended to replace the formal load cycles performed by the launch vehicle (LV) provider, it will provide the ability to reduce the conservatism in defining preliminary design loads, assess the impact of design changes between formal load cycles, perform trade studies and perform parametric loads analysis where many different design configurations can be evaluated with a minimum amount of data required from the LV provider. NTRC condenses all the necessary information into the launch vehicle to payload/s connection points or boundary degrees of freedom (BD). The launch vehicle model is represented by its impedance at its BDs; its forcing functions are represented by the acceleration at those BDs when the payload is absent and the latter is represented by its impedance at the same BDs. Payload responses are represented by transfer functions of selected response to interface BDs. The methodology has contributed to the Loads and Dynamics discipline advancement and successfully passed Peer Reviews. NTRC is exact in the frequency domain. Time domain replication and accuracy is outstanding. A second phase is envisioned to benchmark the whole set of CLA events for the Agency's most utilized Launch Vehicles, and ready it for operational deployment at NASA.

Kaufman, Daniel↗
DOE OSTI2025

Leveraging operator learning to accelerate convergence of the preconditioned conjugate gradient method

We propose a new deflation strategy to accelerate the convergence of the preconditioned conjugate gradient (PCG) method for solving parametric large-scale linear systems of equations. Unlike traditional deflation techniques that rely on eigenvector approximations or recycled Krylov subspaces, we generate the deflation subspaces using operator learning, specifically the Deep Operator Network (DeepONet). To this aim, we introduce two complementary approaches for assembling the deflation operators. The first approach approximates near-null space vectors of the discrete PDE operator using the basis functions learned by the DeepONet. The second approach directly leverages solutions predicted by the DeepONet. To further enhance convergence, we also propose several strategies for prescribing the sparsity pattern of the deflation operator. Here, a comprehensive set of numerical experiments encompassing steady-state, time-dependent, scalar, and vector-valued problems posed on both structured and unstructured geometries is presented and demonstrates the effectiveness of the proposed DeepONet-based deflated PCG method, as well as its generalization across a wide range of model parameters and problem resolutions.

Deflation↗
DOE OSTI2021

Data-driven optimized control of the COVID-19 epidemics

Optimizing the impact on the economy of control strategies aiming at containing the spread of COVID-19 is a critical challenge. We use daily new case counts of COVID-19 patients reported by local health administrations from different Metropolitan Statistical Areas (MSAs) within the US to parametrize a model that well describes the propagation of the disease in each area. We then introduce a time-varying control input that represents the level of social distancing imposed on the population of a given area and solve an optimal control problem with the goal of minimizing the impact of social distancing on the economy in the presence of relevant constraints, such as a desired level of suppression for the epidemics at a terminal time. We find that with the exception of the initial time and of the final time, the optimal control input is well approximated by a constant, specific to each area, which contrasts with the implemented system of reopening ‘in phases’. For all the areas considered, this optimal level corresponds to stricter social distancing than the level estimated from data. Proper selection of the time period for application of the control action optimally is important: depending on the particular MSA this period should be either short or long or intermediate. We also consider the case that the transmissibility increases in time (due e.g. to increasingly colder weather), for which we find that the optimal control solution yields progressively stricter measures of social distancing. We finally compute the optimal control solution for a model modified to incorporate the effects of vaccinations on the population and we see that depending on a number of factors, social distancing measures could be optimally reduced during the period over which vaccines are administered to the population.

60 APPLIED LIFE SCIENCES↗