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At least 469 records · Page 26

Preliminary Results from an Experimental Assessment of a Natural Laminar Flow Design Method

A 5.2% scale semispan model of the new Common Research Model with Natural Laminar Flow (CRM-NLF) was tested in the National Transonic Facility (NTF) at the NASA Langley Research Center. The model was tested at transonic cruise flight conditions with Reynolds numbers based on mean aerodynamic chord ranging from 10 to 30 million. The goal of the test was to experimentally validate a new design method, referred to as Crossflow Attenuated NLF (CATNLF), which shapes airfoils to have pressure distributions that delay transition on wings with high sweep and Reynolds numbers. Additionally, the test aimed to characterize the NTF laminar flow testing capabilities, as well as establish best practices for laminar flow wind tunnel testing. Preliminary results regarding the first goal of validating the new design method are presented in this paper. Experimental data analyzed in this assessment include surface pressure data and transition images. The surface pressure data acquired during the test agree well with computational fluid dynamics (CFD) results. Transition images at a variety of Reynolds numbers and angles of attack are presented and compared to computational transition predictions. The experimental data are used to assess transition due to a turbulent attachment line, as well as crossflow and Tollmien-Schlichting modal instabilities. Preliminary results suggest the CATNLF design method is successful at delaying transition on wings with high sweep. Initial analysis of the transition front images showed transition Reynolds numbers that exceed historic experimental values at similar sweep angles. , section lift

Lynde, Michelle N.↗

Introducing the SLICE Method for estimating pebble-bed reactor inventories at equilibrium operation with SCALE

This paper introduces the SCALE Leap-In method for Cores at Equilibrium (SLICE) for estimating pebble-bed reactor equilibrium core isotopic inventories using capabilities in the SCALE code system, requiring only a small computational cluster and a few days of computation. This method uses an iterative approach that relies on (1) a surrogate spectrum model that captures spatial and time-dependent spectral conditions, (2) a multi-pass model that captures the pebble’s evolving nuclide inventory as a function of location and time in the core, and (3) a full-core model that captures the core’s spatial neutron flux distribution. The SLICE approach is applied to a generic fluoride salt–cooled high-temperature reactor, demonstrating fuel inventory convergence through nuclide concentration inspection across iterations and comparisons for core realizations with varying discretizations. Results agree within ~5% with another state-of-the-art code, with differences attributed to input parameter or modeling assumption variations in the equilibrium generation methods.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Shuttle program: Computing atmospheric scale height for refraction corrections

Methods for computing the atmospheric scale height to determine radio wave refraction were investigated for different atmospheres, and different angles of elevation. Tables of refractivity versus altitude are included. The equations used to compute the refraction corrections are given. It is concluded that very accurate corrections are determined with the assumption of an exponential atmosphere.

Lear, W. M.↗

Comparing Theoretically Scaled Biomechanical Models

BACKGROUND An investigation into incorporating space suit aspects required a 50th-percentile male model which was not part of the existing dataset of models. Previously, theoretical models for 5th-percentile female and 95th-percentile male were created utilizing a scaled test subject as close as possible to the target height and weight. Scaling factors were created by taking the height ratio and applying it uniformly to the model body segments, then fine tuning to ensure the theoretical model’s height is as expected. This study was initiated to examine the existing method of isometrically scaling in OpenSim [1,2] and to create alternative methods which do not rely on an existing subject being close in height and weight to the theoretical model of interest. Generating a theoretical biomechanical model provides additional abilities without the reliance on available OpenSim models or real subjects. Gained abilities include creating different percentile models and attaining representative anthropometry for any target height/weight, such as targeting specific crew populations or gaps within the current dataset. METHODS AND RESULTS This study includes 3 methods for generating the theoretical model; utilizing the modified unscaled OpenSim Full Body Rajagopal Model (FBRM) [3,4], a dataset of scaled OpenSim models, and existing scaling factors from Dumas et al. [5]. All methods use the Anthropometric Survey of US Army Personnel (ANSUR II) [6] as an input of necessary anthropometric measurements. The following measurements are retrieved from the ANSUR II collection: mass, stature, cervicale height, acromial height, axilla height, waist height, trochanterion height, lateral femoral epicondyle height, lateral malleolus height, acromion-radiale length, radiale-stylion length, palm length, ball of foot length, bicristal breadth, bimalleolar breadth. Some of the measurements are direct segment lengths and others are utilized to derive segment lengths. Height, weight, and age ranges are the required inputs to parse the collection for a mean value of the measurements. A simple iterative process may be necessary for the output of mean mass and stature consistent with the theoretical model of interest. In some cases, one may specify exact values instead of a range but that is dependent upon whether those exact values pertain to a single subject from the ANSUR II collection. Equations from Dumas et al. were used to calculate scaling factors for the two methods that utilize OpenSim scaled and unscaled models. In the third method, Dumas’ scaling factors were used directly instead of generating our own. After scaling factors are achieved, they are applied along with the mass and segment lengths retrieved from ANSUR II in order to calculate the segment mass, Center of Mass (CoM), mass Moment of Inertia (MoI), and the joint location in the parent frame. The theoretical models from the different methods were compared to the previous existing method of isometrically scaling in OpenSim, as well as the standards found in NASA STD-3000 [7] and the NASA Human Integration Design Handbook [8]. The whole-body center of mass is the main comparison performed between the models and the standards. The body segment mass properties were also compared when possible. In some cases, the standards do not provide complete data, or the center of mass location is not provided with respect to the appropriate joint coordinate system. For a 50th-percentile male subject, results from isometric scaling in OpenSim and the method utilizing the unscaled FBRM were compared to the standards in NASA STD-3000. According to the standard, the whole-body vertical CoM location was taken from the head vertex to the CoM. The standards provide 80.2 cm for the CoM vertical component whereas isometric scaling in OpenSim and utilizing the unscaled FBRM provide 82.2 and 82.3 cm, respectively. Through definition, the whole-body CoM in the medial/lateral direction agreed across the models. Investigation is on-going to clearly identify the reference point pertaining to dorsal/ventral whole-body CoM position in standards and relate that to the theoretical models. REFERENCES [1] Delp, S.L., et al., “OpenSim: Open-source Software to Create and Analyze Dynamic Simulations of Movement”, IEEE Transactions on Biomedical Engineering, (2007). [2] Seth, A., Hicks J.L., Uchida, T.K., Habib, A., Dembia, C.L., Dunne, J.J., Ong, C.F., DeMers, M.S., Rajagopal, A., Millard, M., Hamner, S.R., Arnold, E.M., Yong, J.R., Lakshmikanth, S.K., Sherman,n M.A., Delp, S.L. OpenSim: Simulating musculoskeletal dynamics and neuromuscular control to study human and animal movement. Plos Computational Biology, 14(7). (2018) [3] R. K. Huffman, W. K. Thompson, C. A. Gallo, L. J. Quiocho, “Improvement of Scaling and Inverse Kinematic Results with Additional Upper Body Joints Added to Opensim Rajagopal Model”, NASA Human Research Program Investigator’s Workshop, (2019). [4] Huffman R.K., Thompson W., Gallo C., “Modified OpenSim Rajagopal Full Body Model”, New Technology Report, MSC-26872-1. (August 2020). [5] Dumas R., Cheze L. and Verriest J., 2007. “Adjustments to McConville et al. and Young et al. body segment inertial parameters”. Journal of Biomechanics 40, pp. 543-553 [6] Gordon C.C., 2012 “Anthropometric Survey of U.S. Army Personnel: Methods and Summary Statistics”, US Army Natick Soldier RD&E Center. [7] NASA STD-3000/REV-B, 1995. “The Man-System Integration Standards” [8] NASA/SP-2010-3407/REV-1, 2014. “The Human Integration Design Handbook (HIDH)”

F N Matari↗

Static dipole polarizabilities of polyacenes using self-interaction-corrected density functional approximations

Density functional approximations are known to significantly overestimate the polarizabilities of long chain-like molecules. We study the static electric dipole polarizabilities and the vertical ionization potentials of polyacenes from benzene to pentacene using the Fermi-L\"owdin orbital based self-interaction corrected (FLOSIC) density functional method. The orbital-by-orbital self-interaction correction corrects for the overestimation tendency of density functional approximations. The polarizabilities calculated with FLOSIC-DFA are however overly corrected. We also tested the recently developed locally-scaled self-interaction correction (LSIC) method on the polyacenes. The local-scaling method applies full SIC in the one-electron regions and restores the proper behavior of the SIC exchange-correlation functionals in the uniform density limit. The results show that LSIC removes the overcorrection tendency of the FLOSIC-DFA and produces results that are in excellent agreement with reference CCSD values. The vertical ionization potentials with LSIC also show good agreement with available experimental values.

74 ATOMIC AND MOLECULAR PHYSICS↗

Application of augmented-Lagrangian methods in meteorology: Comparison of different conjugate-gradient codes for large-scale minimization

A Lagrange multiplier method using techniques developed by Bertsekas (1982) was applied to solving the problem of enforcing simultaneous conservation of the nonlinear integral invariants of the shallow water equations on a limited area domain. This application of nonlinear constrained optimization is of the large dimensional type and the conjugate gradient method was found to be the only computationally viable method for the unconstrained minimization. Several conjugate-gradient codes were tested and compared for increasing accuracy requirements. Robustness and computational efficiency were the principal criteria.

Navon, I. M.↗

Radial storage efficiency for CO 2 injection: Quantifying effectiveness of local flow control methods

Basin-scale geologic carbon sequestration will require hundreds of injection wells, each of which has costs related to property rights and regulatory requirements that correlate with the areal size of the carbon dioxide plume. These surface-footprint-related issues motivate maximizing storage efficiency radially away from each well. Radial storage efficiency (RSE) is defined here as the ratio of the volumetrically weighted carbon dioxide free-phase saturation within a given radius away from the injection well to the available pore space within that same radius. Maximizing RSE effectively minimizes the radial extent of the CO 2 plume. Optimizing RSE around individual wells requires local flow control injection strategies that can increase the uniformity of the filling of pore space around the well over the entire length of the perforated injection interval despite differences in local formation transmissivity. The goal of uniform filling of the storage reservoir starting from the well outward is to maximize carbon dioxide sweep and trapping locally outward from the well in all of the layers of the storage region before buoyancy forces predominate and drive carbon dioxide upward where it will spread laterally under lower-permeability layers. Example simulations of carbon dioxide injection into a layered storage system with and without local flow control are presented to show the advantage of uniformly filling all layers and how RSE can be used to quantify storage efficiency for the two different injection approaches. Published 2021. This article is a U.S. Government work and is in the public domain in the USA.

03 NATURAL GAS↗

Studies relating to temperature control of a large scale telescope

Analytical methods are developed for estimating the circumferential and longitudinal temperature distributions in a large space telescope, idealized as a simple insulated tube with a flat mirror across one end. The effects of wall conduction, multilayer insulation, thermal coatings, heat pipes, and heated collars are analyzed, with numerical examples. For most of the study, the only thermal input to the tube was assumed to be from steady solar irradiation from one side, as in a geosynchronous orbit. Unsteady heat flow through the insulation, as in alternating sunlight and shadow of a low orbit, is briefly discussed.

Katzoff, S.↗

Computationally efficient modeling and simulation of large scale systems

A method of simulating operation of a VLSI interconnect structure having capacitive and inductive coupling between nodes thereof. A matrix X and a matrix Y containing different combinations of passive circuit element values for the interconnect structure are obtained where the element values for each matrix include inductance L and inverse capacitance P. An adjacency matrix A associated with the interconnect structure is obtained. Numerical integration is used to solve first and second equations, each including as a factor the product of the inverse matrix X.sup.1 and at least one other matrix, with first equation including X.sup.1Y, X.sup.1A, and X.sup.1P, and the second equation including X.sup.1A and X.sup.1P.

Jain, Jitesh↗

Computationally efficient modeling and simulation of large scale systems

A method of simulating operation of a VLSI interconnect structure having capacitive and inductive coupling between nodes thereof. A matrix X and a matrix Y containing different combinations of passive circuit element values for the interconnect structure are obtained where the element values for each matrix include inductance L and inverse capacitance P. An adjacency matrix A associated with the interconnect structure is obtained. Numerical integration is used to solve first and second equations, each including as a factor the product of the inverse matrix X.sup.-1 and at least one other matrix, with first equation including X.sup.-1Y, X.sup.-1A, and X.sup.-1P, and the second equation including X.sup.-1A and X.sup.-1P.

Jain, Jitesh↗

Ion beam mill etch depth monitoring with nanometer-scale resolution

A method for measuring conductance of a material real-time during etching/milling includes providing a fixture having a socket for receiving the material. The socket is attached to a printed circuit board (PCB) mounted on one side of a plate that has at least one opening for providing ion beam access to the material sample. Conductive probes extend from the other side of the PCB to contact and span a target area of the material. A measurement circuit in electrical communication with the probes measures the voltage produced when a current is applied across the material sample to measure changes in electrical properties of the sample over time.

Cybart, Shane A.↗

Striving to translate shale physics across ten orders of magnitude: What have we learned?

Shales will play an important role in the successful transition of energy from fossil-based resources to renewables in the coming decades. Aside from being a significant source of low-carbon intensity fuels, like natural gas, they also serve as geologic seals of subsurface formations that may be used to isolate nuclear waste, sequester CO 2 , or store intermittent energy (e.g., solar hydrogen). Despite their importance, shales pose significant engineering and environmental challenges due to their nanoporous structure and extreme heterogeneity that spans at least ~10 orders of magnitude in spatial scale. Two challenges inhibit a system-level understanding: (1) the physics of fluid flow and phase behavior in shales are poorly understood due to the dominant molecular interactions between minerals and fluids under confinement, and (2) the apparent lack of scale separation that prevents a reliable (closed) description of the physics at any single scale of observation. In this review, we focus on the latter issue and discuss scale translation, which in its broadest sense is transforming data or simulations from one spatiotemporal scale to another. While effective scale translation is not exclusive to shales, but all geologic porous media, the need for it is especially acute in shales given their high degree of heterogeneity. Classical theories like homogenization, while indispensable, fail when scales are not separated. Other methods, like numerical upscaling, scale-translate in only one direction: small to large, but not the reverse, called downscaling. However, the confluence of advances in three areas are bringing challenging problems such as shales within reach: increased computational power and scalable algorithms; high-resolution imaging and multi-modal data acquisition; and machine learning to process massive amounts of data. While these advances equip geoscientists with a wide array of experimental and computational tools, no individual tool can probe the entire gamut of heterogeneity in shales. Their effective use, therefore, requires an ability to bridge between various data types obtained at different scales. The aim of this review is to present a coherent account of computational and experimental methods that may be used to achieve just that, i.e., to perform scale translation. We provide a broader definition of scale translation, one that transcends classical homogenization and upscaling methods, but is consistent with them and accommodates notions like downscaling and data translation. After a brief introduction to homogenization, we review hybrid methods, numerical upscaling and its recent extensions, multiscale computing, high-resolution imaging, and machine learning. We place particular emphasis on multiscale computing and propose an algorithmic framework to bridge between the pore (micro) and Darcy (macro) scales. Throughout the paper, we draw comparisons between the various methods and highlight their (often hidden) similarities, differences, benefits, and pitfalls. We finally conclude with two case studies on shales that exemplify some of the methods presented.

58 GEOSCIENCES↗

Detailed comparison of renormalization scale-setting procedures based on the principle of maximum conformality

The Principle of Maximum Conformality (PMC), which generalizes the conventional Gell-Mann-Low method for scale-setting in perturbative QED to non-Abelian QCD, provides a rigorous method for achieving unambiguous scheme-independent, fixed-order predictions for physical observables consistent with the principles of the renormalization group. In addition to the original multi-scale-setting approach (PMCm), two variations of the PMC have been proposed to deal with ambiguities associated with the uncalculated higher order terms in the pQCD series, i.e. the single-scale-setting approach (PMCs) and the procedures based on ``intrinsic conformality" (PMC ∞ ). In this paper, we will give a detailed comparison of these PMC approaches by comparing their predictions for three important quantities R e+e– , R τ , and $Γ(H→b\bar{b}$) up to four-loop pQCD corrections. The PMCs approach determines an overall effective running coupling α s (Q) by the recursive use of the renormalization group equation, whose argument Q represents the actual momentum flow of the process. Our numerical results show that the PMCs method, which involves a somewhat simpler analysis, can serve as a reliable substitute for the full multi-scale PMCm method, and that it leads to more precise pQCD predictions with small residual scale dependence.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Separation of time scales in aircraft trajectory optimization

Two methods for analyzing the time-scale properties of aircraft trajectory optimization problems are presented. Time-scale properties must be identified before solutions can be obtained by using singular perturbation methods. Both methods only require a knowledge of the state equations, the aircraft characteristics, and the bounds on the state and control variables. Although these methods give only rough estimates of time-scale separation, they do not require that an 'exact' optimal trajectory be known, as do the more rigorous methods, and they are an improvement on the ad hoc methods currently in use. The two methods are applied to an example problem for a high performance aircraft.

Ardema, M. D.↗

Dissolution of periodic arrays of grains: Upscaling of pore-scale simulations with fast reactions

Upscaling methods are frequently used to derive transport equations at the macroscopic scale from more fundamental equations formulated at the pore scale. These methods typically give a suitable structure for the macroscopic equations and can also provide explicit expressions for the constitutive parameters, such as permeability and dispersion coefficients. Introducing chemical reactions complicates upscaling in at least two important ways. First, the interplay between chemical reactions and transport processes introduces a new length scale, which can be much smaller than the convective or dispersive length scales. A small reactive length scale breaks one of the key assumptions in upscaling; that there is a significant separation in length between the pore-scale and macro-scale processes. The second complication is that if reactions take place at mineral surfaces (dissolution or precipitation) then the pore space itself is evolving in time. In this paper we suggest ways in which these difficulties can be approached, based on analysis of pore-scale simulation data. First, we noticed that the concentration field in successive unit cells has an almost identical spatial variation, with a single scaling factor for each unit cell that is proportional to the incoming reactant flux. Using pore-scale simulations to determine the mass transfer coefficient in a few unit cells, we can calculate the concentration field in the whole domain, even when dissolution is entirely transport limited. Second, we have noticed a time-dependent mapping of the grain shapes from different unit cells. From these observations, we can deduce constitutive relations where the only time-varying parameter is the porosity. Here, we show that a model based on these ideas can quantitatively account for the pore-scale simulation data.

58 GEOSCIENCES↗

Bedrock architecture, soil texture, and hyporheic zone characterization combining electrical resistivity and induced polarization imaging

The shallow (<15 m depth) subsurface environment of a short reach along a bedrock stream was investigated with electrical resistivity and induced polarization (IP) to map details of bedrock and soil sediments. The bedrock is mostly comprised of limestone, and is generally resistive compared to the overlying soil. The soil-bedrock interface was determined through a trial and error approach using a sharp boundary feature in the inversion model. The inferred bedrock surface determined from the inversions exhibited undulating patterns with troughs and ridges. A near continuous trough ran alongside the stream within the floodplain, and is suggestive of a paleochannel among other interpretations of this feature. The structure of the electrical resistivity above the bedrock showed small-scale elongated features. The chargeability from the IP method showed larger scale features. High values of chargeability were associated with the sediments in the floodplain, and low values were associated with bedrock, stream, and soil on the elevated banks above the stream. If the chargeability is associated with membrane polarization characteristic of clayey soils, then IP seems to highlight the mere existence of clay, while the resistivity may be more discernable of the relative proportion of clay. Vegetation differences may also explain the chargeability distribution, where parts of the survey with high chargeability had dense pine with no understory making the soils more organically rich.

54 ENVIRONMENTAL SCIENCES↗

Overdestabilization vs Overstabilization in the Theoretical Analysis of f-Orbital Covalency

The complex nature of the f-orbital electronic structures and their interaction with the chemical environment pose significant computational challenges. Advanced computational techniques that variationally include scalar relativities and spin–orbit coupling directly at the molecular orbital level have been developed to address this complexity. Among these, variational relativistic multiconfigurational multireference methods stand out for their high accuracy and systematic improvement in studies of f-block complexes. Additionally, these advanced methods offer the potential for calibrating low-scaling electronic structure methods such as density functional theory. However, studies on the Cl K-edge X-ray absorption spectra of the [Ce(III)Cl 6 ] 3– and [Ce(IV)Cl 6 ] 2– complexes show that time-dependent density functional theory with approximate exchange–correlation kernels can lead to inaccuracies, resulting in an overstabilization of 4f orbitals and incorrect assessments of covalency. In contrast, approaches utilizing small active space wave function methods may understate the stability of these orbitals. The results herein demonstrate the need for large active space, multireference, and variational relativistic methods in studying f-block complexes.

chemical calculations↗

Global energy spectrum of the general oceanic circulation

Abstract Advent of satellite altimetry brought into focus the pervasiveness of mesoscale eddies $${{{{{{{\bf{{{{{{{{\mathcal{O}}}}}}}}}}}}}}}}({100})$$ O ( 100 ) km in size, which are the ocean’s analogue of weather systems and are often regarded as the spectral peak of kinetic energy (KE). Yet, understanding of the ocean’s spatial scales has been derived mostly from Fourier analysis in small "representative” regions that cannot capture the vast dynamic range at planetary scales. Here, we use a coarse-graining method to analyze scales much larger than what had been possible before. Spectra spanning over three decades of length-scales reveal the Antarctic Circumpolar Current as the spectral peak of the global extra-tropical circulation, at ≈ 10 4 km, and a previously unobserved power-law scaling over scales larger than 10 3 km. A smaller spectral peak exists at ≈ 300 km associated with mesoscales, which, due to their wider spread in wavenumber space, account for more than 50% of resolved surface KE globally. Seasonal cycles of length-scales exhibit a characteristic lag-time of ≈ 40 days per octave of length-scales such that in both hemispheres, KE at 10 2 km peaks in spring while KE at 10 3 km peaks in late summer. These results provide a new window for understanding the multiscale oceanic circulation within Earth’s climate system, including the largest planetary scales.

54 ENVIRONMENTAL SCIENCES↗