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DOE OSTI2021

Opening band gaps of low-dimensional materials at the meta-GGA level of density functional approximations

The quasiparticle band structure can be properly described by Hedin's GW approximation (GW), at a high computational cost. For band gaps, semilocal density functionals up to the generalized gradient approximation (GGA) level cannot compete with the accuracy of hybrid-based approximations or GW. Meta-GGA density functionals with a strong dependence on the kinetic energy density ingredient can potentially give wider band gaps compared with GGAs. The recent TASK meta-GGA density functional from Aschebrock and Kümmel [ Phys. Rev. Research 1 , 033082 (2019) ], is constructed with an enhanced nonlocality in the generalized Kohn-Sham scheme and therefore harbors great opportunities for band gap prediction. Although this approximation was found to yield excellent band gaps of bulk solids, this accuracy cannot be straightforwardly transferred to low-dimensional materials. Additionally, the reduced screening of these materials results in larger band gaps compared with their bulk counterparts, as an additional barrier to overcome. In this paper we demonstrate how the alteration of this functional affects the band gaps of monolayers and nanoribbons and present accurate band gaps competing with the revised Heyd-Scuseria-Ernzerhof (HSE06) approximation. In order to achieve this goal, we have modified the TASK functional (a) by changing the tight upper bound for one- or two-electron systems ( h X 0 ) from 1.174 to 1.29 and (b) by changing the limit of the interpolation function f X ( α → ∞ ) of the TASK functional that interpolates the exchange enhancement factor F X ( s , α ) from α = 0 to 1. The resulting modified TASK (mTASK) was tested for various materials from three dimensions to two dimensions to one dimension (nanoribbons) and was compared with the results of the higher-level hybrid functional HSE06 or with the G 0 W 0 approximation within many-body perturbation theory. We find that mTASK systematically improves the band gaps and band structures of two-dimensional (2D) and 1D systems, without significantly affecting the accuracy of the original TASK for the bulk 3D materials, when compared with the Perdew-Burke-Ernzerhof (PBE) GGA and the strongly constrained and appropriately normed (SCAN) meta-GGA. We further demonstrate the applicability of mTASK by assessing the band structures of transition metal dichalcogenide nanoribbons with respect to various bending curvatures.

36 MATERIALS SCIENCE↗

NASA NTRS2018

Assessing the Altimetric Measurement from CYGNSS Data

The Cyclone Global Navigation Satellite System (CYGNSS) mission was designed to study hurricane intensification by measuring wind speeds in tropical cyclones. However, the delay-Doppler maps (DDM) that are produced can be used to estimate the sea surface height (SSH) at the specular reflection point on the ocean surface. Proofof-concept studies that DDMs are suitable to solve for SSH have been recently reported (Clarizia et al., 2016; Mashburn et al., 2018), based on data acquired by the demonstration satellite experiment Tech Demo Sat - 1 (TDS-1) carrying a GNSS-R receiver similar to the ones onboard CYGNSS. Although the precision of each 1sec averaged SSH is considerably lower than that of the existing satellite altimeters, by virtue of the dense coverage and frequent revisit time exhibited by the constellation of 8 microsats, the error may be smoothed down considerably by optimal interpolation (Li et al., 2016). Hence the CYGNSS dataset presents a potential opportunity to sample the tropical oceans, and investigate the sensitivity of the SSH measurements to mesoscale eddies. Our objective is to analyze the CYGNSS data and test a suite of retrieval algorithms, including that of Mashburn et al., 2018 to obtain SSH, to understand the error sources and possible corrections when available. Because of the limited antenna gain of the CYGNSS instrument, the power SNR for general wind conditions is expected to be too low to accurately track the reflection point contribution, resulting in altimetry errors of the order of several meters. Other significant error sources are the CYGNSS satellites orbit knowledge, the ionosphere, the troposphere, the mean sea surface and the tides; some of these errors can be reduced by using models. The corrected SSH data will be assimilated into the ROMS high-resolution ocean model to investigate their ability to reproduce mesoscale eddies in the tropical oceans.

Voronovich, Alexander↗

NASA NTRS2014

Applying Motion Constraints Based on Test Data

MSC ADAMS is a simulation software that is used to analyze multibody dynamics. Using user subroutines, it is possible to apply motion constraints to the rigid bodies so that they match the motion profile collected from test data. This presentation describes the process of taking test data and passing it to ADAMS using user subroutines, and uses the Morpheus free-flight 4 test as an example of motion data used for this purpose. Morpheus is the name of a prototype lander vehicle built by NASA that serves as a test bed for various experimental technologies (see backup slides for details) MSC.ADAMS"TM" is used to play back telemetry data (vehicle orientation and position) from each test as the inputs to a 6-DoF general motion constraint (details in backup slides) The MSC.ADAMS"TM" playback simulations allow engineers to examine and analyze flight trajectory as well as observe vehicle motion from any angle and at any playback speed. This facilitates the development of robust and stable control algorithms, increasing reliability and reducing development costs of this developmental engine The simulation also incorporates a 3D model of the artificial hazard field, allowing engineers to visualize and measure performance of the developmental autonomous landing and hazard avoidance technology ADAMS is a multibody dynamics solver. It uses forces, constraints, and mass properties to numerically integrate equations of motion. The ADAMS solver will ask the motion subroutine for position, velocity, and acceleration values at various time steps. Those values must be continuous over the whole time domain. Each degree of freedom in the telemetry data can be examined separately; however, linear interpolation of the telemetry data is invalid, since there will be discontinuities in velocity and acceleration.

Burlone, Michael↗

DOE OSTI2024

Temperature-dependent mechanical properties and crystal plasticity parameters for additively manufactured Haynes-214 alloy: Experiments and numerical modeling

Our experimental mechanical testing data demonstrated that the additively manufactured (AM) laser powder bed fusion (L-PBF) Haynes-214 alloy exhibits non-linear mechanical properties as the temperature rises from ambient to 870 °C. Crystal plasticity (CP) simulations provide an effective approach to gaining deeper insights into microstructure-property linkages under thermomechanical loading. This method can reduce the need for costly high-temperature mechanical testing while accounting for the effects of crystallographic texture and grain morphology on the mechanical behavior of AM materials. However, calibrating a CP model is time-consuming because individual simulations are computationally expensive and hundreds (or more) of iterations over parameter sets may be required. To address this issue, we have designed a machine learning-differential evolution (ML-DE) CP framework that can accurately interpolate the tensile properties of AM L-PBF Haynes-214 alloy across a wide temperature range from ambient to 870 °C, with minimal reliance on experimental data. The framework uses electron backscatter diffraction (EBSD) measurements to generate statistically equivalent microstructural volume elements to serve as inputs to the CP modeling framework. Stress–strain curves were generated from 1000 CP simulations, which serve as the training data set for the three ML regression algorithms explored: linear, extra-trees, and multi-layer perceptron. These three regression models were independently evaluated to compare their efficiency and identify the most suitable algorithm for the given problem. Results revealed that the extra-trees ML regressor outperforms the other models in both qualitative and quantitative aspects with an R 2 of 0.98. Subsequently, the differential evolution optimization approach is employed to calibrate the ML-based CP material parameters with experimental results obtained at various temperatures. Finally, temperature-dependent CP material parameters are formulated. The effectiveness and efficiency of the designed framework are validated through comparison with experimental results, demonstrating a high degree of agreement. These calibrated parametric constitutive equations enable further use of the CP model to study the deformation behavior of this alloy under a wide range of thermo-mechanical loading conditions.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Application of the Continuum Damage Mechanics Wilshire-Cano-Stewart (WCS) Model

In this study, the applications of the continuum damage mechanics-based Wilshire-Cano-Stewart (WCS) model are explored to predict rupture time, minimum-creep-strain-rate (MCSR), damage, damage evolution, and creep deformation. Increase knowledge in manufacturing methods has pushed the limit of material science and the development of new materials. Conventional testing is required to qualify materials against creep which according to the ASME B&PV III code, 10,000+ hours of experiments are necessary for each heat before materials are put into service. This process is costly and not feasible for new materials. As an alternative, models have been employed to predict creep behaviors and reduce the amount of time necessary for material qualification. Many models have been developed to predict distinct creep behaviors and the question of which model is best remains. Amongst current models, the WCS model has emerge with the ability to predict multiple behaviors using an explicit analytical approach with the ability to predict long-term creep. In this study the novel continuum damage mechanics WCS is employed in multiple applications. The goals of the study are (a) to discuss and determine the framework of the WCS model and validated it mathematically and using parametric simulations, (b) applied the model to accelerated creep data to show the capabilities of the model with non-conventional data, and (c) applied a novel numerical method, the datum temperature method (DTM) to show the model extrapolations and interpolations capabilities with limited and reduce data sets. To accomplish these goals, data is gathered for alloy P91 and Inconel 718 to develop and post-audit validate the model. The benefits of using the WCS model is that it provides an explicit stress and temperature dependency ideal for extrapolations, the coupled equations are suitable for finite element analysis (FEA) implementation, and it follows an explicit calibration approach. The model also proves that it can be applied to accelerated testing data and using the DTM.

Cano, Jaime A↗

DOE OSTI2025

A Block-Structured Adaptive Mesh Framework to Solve Radiation Transfer Equation in Irregular Embedded Geometries

Radiation transport arises in various scientific, industrial, and medical fields, and understanding its effect in applications is needed to make accurate predictions, safety assessments and performance optimizations. Solving the Radiation Transport Equation (RTE) is challenging due to its integro-differential nature, which involves both differential and integral terms. The differential term describes the change in radiation intensity due to absorption and emission, while the integral term accounts for scattering. The accurate modeling of radiation is further complicated in many applications due to the complex, irregular geometries. Various methods exist for solving the RTE, including the zonal, Monte Carlo, spherical harmonics, discrete ordinates, and finite volume methods. Traditional mesh-based approaches, which rely on structured or unstructured meshes, struggle with irregular geometries due to: a) the difficulty of conforming structured grids to irregular domains, b) challenges in enforcing boundary conditions correctly, and c) the additional computational cost of unstructured mesh methods. This work presents a second-order accurate method for solving the RTE in irregular geometries. The radiation intensity is discretized using the finite-volume method in both spatial and angular directions on regular Cartesian grid blocks. Leveraging the block-structured adaptive mesh refinement (AMR) framework provided by AMReX, our method refines the grid locally to reduce spatial discretization error, ensuring a converged numerical solution while minimizing computational costs elsewhere. A two-stage deferred correction approach is employed: First, a first-order discretization on grid blocks is solved using an algebraic multigrid method in HYPRE. Second, a correction term is applied explicitly to achieve second-order accuracy. The correction term is calculated by approximating the radiation flux on cell faces using a Total Variation Diminishing (TVD) scheme. This approach ensures quick convergence of the multigrid method while preserving higher-order accuracy of the numerical solution. Irregular geometries are resolved as embedded boundaries (EB), resulting in both cut cells and regular cells. In cut cells, we modify the fluxes using face fractions and incorporate additional contributions from EB boundary conditions. To ensure higher-order convergence near the EB interface, the correction term is modified by interpolating the radiation intensity to fictitious ghost points. The implementation takes advantage of modern supercomputers by leveraging AMReX’sMPI/X parallelization strategy where X can be MPI or a GPU accelerator including CUDA, HIP and DPC++. We validate our solver using classical test cases, both with and without EB, demonstrating accuracy and efficiency. Additionally, we analyze the impact of adaptive mesh refinement on solution accuracy and computational cost, highlighting the advantages of our approach for high-resolution radiation transport simulations.

computational fluid dynamics (CFD)↗

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↗

DOE OSTI2025

General field evaluation in high-order meshes on GPUs

Robust and scalable function evaluation at any arbitrary point in the finite/spectral element mesh is required for querying the partial differential equation solution at points of interest, comparison of solution between different meshes, and Lagrangian particle tracking. This is a challenging problem, particularly for high-order unstructured meshes partitioned in parallel with MPI, as it requires identifying the element that overlaps a given point and computing the corresponding reference space coordinates. Here, we present a robust and efficient technique for general field evaluation in large-scale high-order meshes with quadrilaterals and hexahedra. In the proposed method, a combination of globally partitioned and processor-local maps are used to first determine a list of candidate MPI ranks, and then locally candidate elements that could contain a given point. Next, element-wise bounding boxes further reduce the list of candidate elements. Finally, Newton’s method with trust region is used to determine the overlapping element and corresponding reference space coordinates. Since GPU-based architectures have become popular for accelerating computational analyses using meshes with tensor-product elements, specialized kernels have been developed to utilize the proposed methodology on GPUs. The method is also extended to enable general field evaluation on surface meshes. The paper concludes by demonstrating the use of the proposed method in various applications ranging from mesh-to-mesh transfer during r-adaptivity to Lagrangian particle tracking.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Canopy spectral reflectance along the NGEE-Arctic tram transect, Utqiagvik (Barrow), Alaska, 2015-2017

Full-spectrum (350-2500 nm) canopy spectral reflectance measured in July 2015, 2016 and 2017 along the NGEE-Arctic tram located on the Barrow Environmental Observatory (BEO), Barrow, Alaska. Measurements were made using a SVC HR1024i spectroradiometer mounted on a manually operated instrument cart. Spectra were collected at 137 stop points at 0.5 m intervals along the tram transect, with each measurement calibrated to variable illumination conditions using a Spectralon white plate. Data were collected in July, 2015-2016, and in June, July and September in 2017. Processed spectral data are presented in .csv and .xlsx files for each year and the complete SVC instrument output (.sig) are also included in .zip files. The data package includes some photographs showing the tram transect and spectroradiometer setup and a written protocol with details of equipment used and methods.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

An a priori evaluation of a principal component and artificial neural network based combustion model in diesel engine conditions

A principal component analysis (PCA) and artificial neural network (ANN) based chemistry tabulation approach is presented. ANNs are used to map the thermochemical state onto a low-dimensional manifold consisting of five control variables that have been identified using PCA. Three canonical configurations are considered to train the PCA-ANN model: a series of homogeneous reactors, a nonpremixed flamelet, and a two-dimensional lifted flame. The performance of the model in predicting the thermochemical manifold of a spatially-developing turbulent jet flame in diesel engine thermochemical conditions is a priori evaluated using direct numerical simulation (DNS) data. The PCA-ANN approach is compared with a conventional tabulation approach (tabulation using ad hoc defined control variables and linear interpolation). The PCA-ANN model provides higher accuracy and requires several orders of magnitude less memory. Here, these observations indicate that the PCA-ANN model is superior for chemistry tabulation, especially for modelling complex chemistries that present multiple combustion modes as observed in diesel combustion. The performance of the PCA-ANN model is then compared to the optimal estimator, i.e. the conditional mean from the DNS. The results indicate that the PCA-ANN model gives high prediction accuracy, comparable to the optimal estimator, especially for major species and the thermophysical properties. Higher errors are observed for the minor species and reaction rate predictions when compared to the optimal estimator. It is shown that the prediction of minor species and reaction rates can be improved by using training data that exhibits a variation of parameters as observed in the turbulent flame. The output of the ANN is analysed to assess mass conservation. It is observed that the ANN incurs a mean absolute error of 0.05% in mass conservation. Furthermore, it is demonstrated that this error can be reduced by modifying the cost function of the ANN to penalise for deviation from mass conservation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2012

Extension of the Time-Spectral Approach to Overset Solvers for Arbitrary Motion

Forced periodic flows arise in a broad range of aerodynamic applications such as rotorcraft, turbomachinery, and flapping wing configurations. Standard practice involves solving the unsteady flow equations forward in time until the initial transient exits the domain and a statistically stationary flow is achieved. It is often required to simulate through several periods to remove the initial transient making unsteady design optimization prohibitively expensive for most realistic problems. An effort to reduce the computational cost of these calculations led to the development of the Harmonic Balance method [1, 2] which capitalizes on the periodic nature of the solution. The approach exploits the fact that forced temporally periodic flow, while varying in the time domain, is invariant in the frequency domain. Expanding the temporal variation at each spatial node into a Fourier series transforms the unsteady governing equations into a steady set of equations in integer harmonics that can be tackled with the acceleration techniques afforded to steady-state flow solvers. Other similar approaches, such as the Nonlinear Frequency Domain [3,4,5], Reduced Frequency [6] and Time-Spectral [7, 8, 9] methods, were developed shortly thereafter. Additionally, adjoint-based optimization techniques can be applied [10, 11] as well as frequency-adaptive methods [12, 13, 14] to provide even more flexibility to the method. The Fourier temporal basis functions imply spectral convergence as the number of harmonic modes, and correspondingly number of time samples, N, is increased. Some elect to solve the equations in the frequency domain directly, while others choose to transform the equations back into the time domain to simplify the process of adding this capability to existing solvers, but each harnesses the underlying steady solution in the frequency domain. These temporal projection methods will herein be collectively referred to as Time-Spectral methods. Time-Spectral methods have demonstrated marked success in reducing the computational costs associated with simulating periodic forced flows, but have yet to be fully applied to overset or Cartesian solvers for arbitrary motion with dynamic hole-cutting. Overset and Cartesian grid methodologies are versatile techniques capable of handling complex geometry configurations in practical engineering applications, and the combination of the Time-Spectral approach with this general capability potentially provides an enabling new design and analysis tool. In an arbitrary moving-body scenario for these approaches, a Lagrangian body moves through a fixed Eulerian mesh and mesh points in the Eulerian mesh interior to the solid body are removed (cut or blanked), leaving a hole in the Eulerian mesh. During the dynamic motion some gridpoints in the domain are blanked and do not have a complete set of time-samples preventing a direct implementation of the Time-Spectral method. Murman[6] demonstrated the Time-Spectral approach for a Cartesian solver with a rigid domain motion, wherein the hole cutting remains constant. Similarly, Custer et al. [15, 16] used the NASA overset OVERFLOW solver and limited the amount of relative motion to ensure static hole-cutting and interpolation. Recently, Mavriplis and Mundis[17] demonstrated a qualitative method for applying the Time-Spectral approach to an unstructured overset solver for arbitrary motion. The goal of the current work is to develop a robust and general method for handling arbitrary motion with the Time-Spectral approach within an overset or Cartesian mesh method, while still approaching the spectral convergence rate of the original Time-Spectral approach. The viscous OVERFLOW solver will be augmented with the new Time-Spectral algorithm and the capability of the method for benchmark problems in rotorcraft and turbomachinery will be demonstrated. This abstract begins with a brief synopsis of the Time-Spectral approach for overset grids and provides details of e current approach to allow for arbitrary motion. Model problem results in one and two dimensions are included to demonstrate the viability of the method and the convergence properties. Section IV briefly outlines the implementation into the OVERFLOW solver, and the abstract closes with a description of the benchmark test cases which will be included in the final paper.

Leffell, Joshua Isaac↗

DOE OSTI2024

Performance of high-order Godunov-type methods in simulations of astrophysical low Mach number flows

High-order Godunov methods for gas dynamics have become a standard tool for simulating different classes of astrophysical flows. Their accuracy is mostly determined by the spatial interpolant used to reconstruct the pair of Riemann states at cell interfaces and by the Riemann solver that computes the interface fluxes. In most Godunov-type methods, these two steps can be treated independently, so that many different schemes can in principle be built from the same numerical framework. Because astrophysical simulations often test out the limits of what is feasible with the computational resources available, it is essential to find the scheme that produces the numerical solution with the desired accuracy at the lowest computational cost. However, establishing the best combination of numerical options in a Godunov-type method to be used for simulating a complex hydrodynamic problem is a nontrivial task. In fact, formally more accurate schemes do not always outperform simpler and more diffusive methods, especially if sharp gradients are present in the flow. For this work, we used our fully compressible Seven-League Hydro (SLH) code to test the accuracy of six reconstruction methods and three approximate Riemann solvers on two- and three-dimensional (2D and 3D) problems involving subsonic flows only. We considered Mach numbers in the range from 10 −3 to 10 −1 , which are characteristic of many stellar and geophysical flows. In particular, we considered a well-posed, 2D, Kelvin–Helmholtz instability problem and a 3D turbulent convection zone that excites internal gravity waves in an overlying stable layer. Although the different combinations of numerical methods converge to the same solution with increasing grid resolution for most of the quantities analyzed here, we find that (i) there is a spread of almost four orders of magnitude in computational cost per fixed accuracy between the methods tested in this study, with the most performant method being a combination of a low-dissipation Riemann solver and a sextic reconstruction scheme; (ii) the low-dissipation solver always outperforms conventional Riemann solvers on a fixed grid when the reconstruction scheme is kept the same; (iii) in simulations of turbulent flows, increasing the order of spatial reconstruction reduces the characteristic dissipation length scale achieved on a given grid even if the overall scheme is only second order accurate; (iv) reconstruction methods based on slope-limiting techniques tend to generate artificial, high-frequency acoustic waves during the evolution of the flow; and (v) unlimited reconstruction methods introduce oscillations in the thermal stratification near the convective boundary, where the entropy gradient is steep.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRSDate not supplied

Developing Procedures to Implement Geometric Imperfections Beyond Right Circular Cylindrical Shells in Finite Element Method Models

Analysis of aerospace structures is frequently conducted using nominal dimensions and frequently assumes ideal conditions in loading, contact, constraints, et cetera. Off-nominal dimensions and nonideal conditions, however, are present in all structures. These are the result of widely ranging causes from coefficient of thermal expansion mismatches, manufacturing tooling anomalies, to assembly procedures that inadvertently alter the structure. Specifically, geometric imperfections can have potentially significant influence on the response of a structural test article observed in an experiment versus the response given by a numerical simulation. The Python Tool for Implementing Geometric Imperfections in Reduced Structures (Py_TIGIRS) was previously presented as a set of Python scripts to calculate and implement as-manufactured geometric midsurface and thickness imperfections into finite element method (FEM) shell models of nominally right circular cylinders. By taking advantage of the simple shape of a right circular cylinder, interpolations of the measured data points were able to be performed along directions that aligned to the cylindrical coordinate system axes of the entire structure. By taking advantage of the shell representation of the real structure as opposed to modeling using a continuum representation, the thickness variation was able to be implemented by shell section definitions instead of having to modify the position of multiple nodes in the thickness direction. Py_TIGIRS is a useful tool that established a procedural example on how to implement geometric imperfections in right circular cylindrical shell structures. Three new procedures, each expanded from concepts established in Py_TIGIRS, are proposed for various test-article designs and are intended to broaden the range of structures that can be modeled with measured geometric imperfections in the structural analysis community. Each test-article design introduces new challenges to successfully implement geometric imperfections into a FEM model. The first test-article design consists of a carbon fiber reinforced polymer square plate with a hat-shaped stiffener co-cured on one side. This test-article design was for a novel seven-point bend test that was also previously presented. Manufacturing and cure-cycle imperfections are observed using digital image correlation (DIC) techniques. As thermal expansion coefficient mismatches between the plate and stiffener materials were anticipated, a thermal analysis study with continuum shell and solid elements was conducted to capture the global shape observed prior to testing. The second test-article design is of a similar hat-stiffened plate configuration, but with a side length ratio near 3:1 with elongation in the stiffener direction. The test article was used to characterize the response to uniaxial compressive loading in the direction of the stiffener. Due to differing manufacturing steps, a thermal analysis like the one developed for the seven-point bend configuration was unable to mimic the observed geometric imperfections. Instead, a strategy based on applying deformations directly to the structure during analysis was developed for continuum shell and solid element representation of a stiffened panel.

Geometric imperfections↗

NASA NTRS2012

Projections of Declining Surface-Water Availability for the Southwestern United States

16 of the CMIP5 models had all the data needed for this work for at least one simulation that was continuous from 1950 to 2040. Details of the models analyzed here are provided in Table S1. The model data analyzed here are available at http://strega.ldeo.columbia.edu:81/expert/home/.naomi/.AR5/.v2/.historical:rcp85/.mmm16/ a. Assessing the climatology of the models Despite increases in horizontal resolution of many models compared to their CMIP3 counterparts none of these models can adequately resolve the topography of the south west United States, such as the Sierra Nevada and Rocky Mountains and the associated orographic precipitation. This requires that caution be used when interpreting the results presented here. To assess the ability of the models to simulate the current hydroclimate, in Figure S1 we show the observed (from the Global Precipitation Climatology Centre gridded rain gauge data, (1)) monthly climatology of precipitation and the same for all the models and the multimodel mean for the California-Nevada, Colorado headwaters and Texas regions. The GPCC data uses rain gauges only and interpolates to regular grids of which we used the 1◦ by 1◦ one. Details of the data set can be found in (2). While the models apparently overestimate precipitation in California and Nevada the seasonal cycle with wet winters and dry summers is very well represented. It is also possible that the rain gauge observations are biased low by inadequately sampling the higher mountain regions. How ever the models might also be expected to underestimate orographic precipitation due to inadequate horizontal resolution. The 25 models are also too wet in the Colorado headwaters region but correctly represent the quite even distribution though the year. The bimodal distribution of precipitation in Texas, with peaks in May and September, and the absolute amounts, are well modeled but with the September peak too weak. The positive precipitation bias translates into a positive runoff bias for the Colorado headwaters as also shown in Figure S1. Here the observed runoff values are taken from simulations of the Variable Infiltration Capacity (VIC) land surface-hydrology model (3) forced by observed meteorology (5) that were conducted as part of the North American Land Data Assimilation System project phase 2 ( (NLDAS-2), http://www.emc.ncep.noaa.gov/mmb/nldas/. Runoff for California-Nevada is better simulated but there is a positive bias over Texas despite no strong precipitation bias. To check whether regional climate models better simulate P and runoff in these regions we analyzed the historical simulation with the Regional Climate Model version 3 driven by the National Centers for Environmental Prediction-Department of Energy Reanalysis 2 available from the North American Regional Climate Change Assessment Program (http://www.narccap.ucar.edu). This model configuration retained these biases in P and runoff although they were reduced in amplitude. Given these varying biases we plot P and P − E changes in actual values but apply the simplest bias correction possible to the runoff and soil moisture values and show the modeled changes in terms of percentages of the 20th Century model climatologies. A thorough assessment of the simulation of North American climate in CMIP5 models is conducted in Sheffield at al. (North American Climate in CMIP5 Experiments. Part I: Evaluation of 20th Century Continental and Regional Climatology, manuscript submit ted to J. Climate, available at http://www.climate.noaa.gov/index.jsp?pg=./cpo pa/ mapp/cmip5 publications.html). Sheffield et al. analyze the climatology of precipitation, surface air temperature, low level winds, moisture fluxes, runoff etc. and conclude that the main features of the hydrological cycle, including characteristics of the atmospheric moisture balance and its seasonality, are captured in the CMP5 models subject to biases in total precipitation amounts. We chose to use all available models instead of selecting some and rejecting others based on an assessment of model realism. This is in accord with the suggestions of Mote et al. for CMIP3 (4) but future work needs to revisit this matter for the case of the CMIP5 ensemble.

Seager, Richard↗

NASA NTRS2020

The AERONET Version 3 Aerosol Retrieval Algorithm, Associated Uncertainties and Comparisons to Version 2

The Aerosol Robotic Network (AERONET) Version 3 (V3) aerosol retrieval algorithm is described, which is based on the Version 2 (V2) algorithm with numerous updates. Comparisons of V3 aerosol retrievals to those of V2 are presented, along with a new approach to estimate uncertainties in many of the retrieved aerosol parameters. Changes in the V3 aerosol retrieval algorithm include (1) a new polarized radiative transfer code (RTC), which replaced the scalar RTC of V2, (2) detailed characterization of gas absorption by adding NO2 and H2O to specify total gas absorption in the atmospheric column, specification of vertical profiles of all the atmospheric species, (3) new bidirectional reflectance distribution function (BRDF) parameters for land sites adopted from the MODIS BRDF/Albedo product, (4) a new version of the extraterrestrial solar flux spectrum, and (5) a new temperature correction procedure of both direct Sun and sky radiance measurements. The potential effect of each change in V3 on single scattering albedo (SSA) retrievals was analyzed. The operational almucantar retrievals of V2 versus V3 were compared for four AERONET sites: GSFC, Mezaira, Mongu, and Kanpur. Analysis showed very good agreement in retrieved parameters of the size distributions. Comparisons of SSA retrievals for dust aerosols (Mezaira) showed a good agreement in 440 nm SSA, while for longer wavelengths V3 SSAs are systematically higher than those of V2, with the largest mean difference at 675 nm due to cumulative effects of both extraterrestrial solar flux and BRDF changes. For non-dust aerosols, the largest SSA deviation is at 675 nm due to differences in extraterrestrial solar flux spectrums used in each version. Further, the SSA 675 nm mean differences are very different for weakly (GSFC) and strongly (Mongu) absorbing aerosols, which is explained by the lower sensitivity to a bias in aerosol scattering optical depth by less absorbing aerosols. A new hybrid (HYB) sky radiance measurement scan is introduced and discussed. The HYB combines features of scans in two different planes to maximize the range of scattering angles and achieve scan symmetry, thereby allowing for cloud screening and spatial averaging, which is an advantage over the principal plane scan that lacks robust symmetry. We show that due to an extended range of scattering angles, HYB SSA retrievals for dust aerosols exhibit smaller variability with solar zenith angles (SZAs) than those of almucantar (ALM), which allows extension of HYB SSA retrievals to SZAs less than 50∘ to as small as 25∘. The comparison of SSA retrievals from closely time-matched HYB and ALM scans in the 50 to 75∘ SZA range showed good agreement with the differences below ∼0.005. We also present an approach to estimate retrieval uncertainties which utilizes the variability in retrieved parameters generated by perturbing both measurements and auxiliary input parameters as a proxy for retrieval uncertainty. The perturbations in measurements and auxiliary inputs are assumed as estimated biases in aerosol optical depth (AOD), radiometric calibration of sky radiances combined with solar spectral irradiance, and surface reflectance. For each set of Level 2 Sun/sky radiometer observations, 27 inputs corresponding to 27 combinations of biases were produced and separately inverted to generate the following statistics of the inversion results: average, standard deviation, minimum and maximum values. From these statistics, standard deviation (labeled U27) is used as a proxy for estimated uncertainty, and a lookup table (LUT) approach was implemented to reduce the computational time. The U27 climatological LUT was generated from the entire AERONET almucantar (1993–2018) and hybrid (2014–2018) scan databases by binning U27s in AOD (440 nm), Angström exponent (AE, 440–870 nm), and SSA (440, 675, 870, 1020 nm). Using this LUT approach, the uncertainty estimates U27 for each individual V3 Level 2 retrieval can be obtained by interpolation using the corresponding measured and inverted combination of AOD, AE, and SSA.

Aliaksandr Siniuk↗