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FUN3D Manual: 13.2

This manual describes the installation and execution of FUN3D version 13.2, including optional dependent packages. FUN3D is a suite of computational fluid dynamics simulation and design tools that uses mixed-element unstructured grids in a large number of formats, including structured multiblock and overset grid systems. A discretely-exact adjoint solver enables efficient gradient-based design and grid adaptation to reduce estimated discretization error. FUN3D is available with and without a reacting, real-gas capability. This generic gas option is available only for those persons that qualify for its beta release status.

Biedron, Robert T.↗

FUN3D Manual: 13.3

This manual describes the installation and execution of FUN3D version 13.3, including optional dependent packages. FUN3D is a suite of computational fluid dynamics simulation and design tools that uses mixed-element unstructured grids in a large number of formats, including structured multiblock and overset grid systems. A discretely-exact adjoint solver enables efficient gradient-based design and grid adaptation to reduce estimated discretization error. FUN3D is available with and without a reacting, real-gas capability. This generic gas option is available only for those persons that qualify for its beta release status.

Biedron, Robert T.↗

FUN3D Manual: 13.4

This manual describes the installation and execution of FUN3D version 13.4, including optional dependent packages. FUN3D is a suite of computational fluid dynamics simulation and design tools that uses mixed-element unstructured grids in a large number of formats, including structured multiblock and overset grid systems. A discretely-exact adjoint solver enables efficient gradient-based design and grid adaptation to reduce estimated discretization error. FUN3D is available with and without a reacting, real-gas capability. This generic gas option is available only for those persons that qualify for its beta release status.

Biedron, Robert T.↗

FUN3D Manual: 13.5

This manual describes the installation and execution of FUN3D (Fully-UNstructured three-dimensional CFD (Computational Fluid Dynamics) code) version 13.5, including optional dependent packages. FUN3D is a suite of computational fluid dynamics simulation and design tools that uses mixed-element unstructured grids in a large number of formats, including structured multiblock and overset grid systems. A discretely-exact adjoint solver enables efficient gradient-based design and grid adaptation to reduce estimated discretization error. FUN3D is available with and without a reacting, real-gas capability. This generic gas option is available only for those persons that qualify for its beta release status.

Biedron, Robert T.↗

FUN3D Manual: 13.6

This manual describes the installation and execution of FUN3D version 13.6, including optional dependent packages. FUN3D is a suite of computational fluid dynamics simulation and design tools that uses mixed-element unstructured grids in a large number of formats, including structured multiblock and overset grid systems. A discretely-exact adjoint solver enables efficient gradient-based design and grid adaptation to reduce estimated discretization error. FUN3D is available with and without a reacting, real-gas capability. This generic gas option is available only for those persons that qualify for its beta release status.

Robert T Biedron↗

The Use of Astronomy VLBA Campaign MOJAVE for Geodesy

We investigated the suitability of the astronomical 15 GHz VLBA observing program MOJAVE-5 for estimation of geodetic parameters, such as station coordinates and Earth orientation parameters. We processed contemporary geodetic dual-band RV and CN experiments observed at 2.3 GHz and 8.6 GHz starting on September 2016 through July 2020 as reference dataset. We showed that the baseline length repeatability from MOJAVE-5 experiments is only a factor of 1.5 greater than from the dedicated geodetic dataset and still below 1 ppb. The wrms of the difference of estimated EOP with respect to the reference IERS C04 time series are a factor of 1.3 to 1.8 worse. We isolated three major differences between the datasets in terms their possible impact on the geodetic results, i.e. the scheduling approach, treatment of the ionospheric delay, and selection of target radio sources. We showed that the major factor causing discrepancies in the estimated geodetic parameters is the different scheduling approach of the datasets. We conclude that systematic errors in MOJAVE-5 dataset are low enough for these data to be used as an excellent testbed for further investigations on the radio source structure effects in geodesy and astrometry.

Hana Krasna↗

Subgrid Treatment of Spacer Grids in the 2D/1D Subplane Approach

Recent efforts have focused on improving the performance of the 2D/1D subplane implementation in MPACT. One of the developments recently added, presented here, focuses on treating spacer grids using a subgrid approach within each subplane, avoiding the extra computation and potentially improving stability issues that can be present by explicitly modeling the spacer grid with a separate MOC plane. From the cases analyzed, it seems that the approach does a sufficient job of maintaining the accuracy of explicitly meshing the spacer grid (<10 pcm and <1% max pin power error) while offering relatively modest performance gains. Overall, the success of the approach with spacer grids opens up possibilities to apply similar approaches to other structural components, particularly those in the axial reflectors to reduce the number of MOC planes and overall computational burden.

Stimpson, Shane G.↗

Development and Validation of Low-Cost, High-Reflectance Composite CSP Facets: SIPS Final Report

This work investigates the various challenges associated with developing heliostat structural composite facets using 1 mm glass mirrors. Such facets are desirable for Concentrating Solar Power because 1 mm glass mirrors provide an absolute increase in reflectivity of 2-3 % over the industry standard of 4 mm glass mirrors. Prototypes of paraboloid composite facets with 1 mm glass mirrors were constructed that have a root mean square slope error on the order of 2 mrad while achieving greater than 96% reflectivity. These facets were constructed using a low-quality aluminum mold and a bill of materials that show potential to achieve cost parity with existing 4 mm glass mirrors supported by structural steel. The facets produced were able to survive up to 50 mm hail ball impacts and were robust against accelerated environmental cycling designed to expose durability concerns. Further work is needed to develop a scalable and cost-effective manufacturing process with a similar bill of materials.

14 SOLAR ENERGY↗

The structure of robust observers

Conventional observers for linear time-invariant systems are shown to be structurally inadequate from a sensitivity standpoint. It is proved that if a linear dynamic system is to provide observer action despite arbitrary small perturbations in a specified subset of its parameters, it must: (1) be a closed loop system, be driven by the observer error, (2) possess redundancy, the observer must be generating, implicitly or explicitly, at least one linear combination of states that is already contained in the measurements, and (3) contain a perturbation-free model of the portion of the system observable from the external input to the observer. The procedure for design of robust observers possessing the above structural features is established and discussed.

Bhattacharyya, S. P.↗

Fault Injection Techniques and Tools

Dependability evaluation involves the study of failures and errors. The destructive nature of a crash and long error latency make it difficult to identify the causes of failures in the operational environment. It is particularly hard to recreate a failure scenario for a large, complex system. To identify and understand potential failures, we use an experiment-based approach for studying the dependability of a system. Such an approach is applied not only during the conception and design phases, but also during the prototype and operational phases. To take an experiment-based approach, we must first understand a system's architecture, structure, and behavior. Specifically, we need to know its tolerance for faults and failures, including its built-in detection and recovery mechanisms, and we need specific instruments and tools to inject faults, create failures or errors, and monitor their effects.

Hsueh, Mei-Chen↗

Decentralized Control of Sound Radiation from an Aircraft-Style Panel Using Iterative Loop Recovery

A decentralized LQG-based control strategy is designed to reduce low-frequency sound transmission through periodically stiffened panels. While modern control strategies have been used to reduce sound radiation from relatively simple structural acoustic systems, significant implementation issues have to be addressed before these control strategies can be extended to large systems such as the fuselage of an aircraft. For instance, centralized approaches typically require a high level of connectivity and are computationally intensive, while decentralized strategies face stability problems caused by the unmodeled interaction between neighboring control units. Since accurate uncertainty bounds are not known a priori, it is difficult to ensure the decentralized control system will be robust without making the controller overly conservative. Therefore an iterative approach is suggested, which utilizes frequency-shaped loop recovery. The approach accounts for modeling error introduced by neighboring control loops, requires no communication between subsystems, and is relatively simple. The control strategy is validated using real-time control experiments performed on a built-up aluminum test structure representative of the fuselage of an aircraft. Experiments demonstrate that the iterative approach is capable of achieving 12 dB peak reductions and a 3.6 dB integrated reduction in radiated sound power from the stiffened panel.

Schiller, Noah H.↗

Application of Three-Component PIV to a Hovering Rotor Wake

The key to accurate predictions of rotorcraft aerodynamics, acoustics, and dynamics lies in the accurate representation of the rotor wake. The vortical wake computed by rotorcraft CFD analyses typically suffer from numerical dissipation before the first blade passage. With some a priori knowledge of the wake trajectory, grid points can be concentrated along the trajectory to minimize the dissipation. Comprehensive rotorcraft analyses based on lifting-line theory rely on classical vortex models and/or semi-empirical information about the tip vortex structure. Until the location, size, and strength of the trailed tip vortex can be measured over a range of wake ages, the analyses will continue to be adjusted on a trial and error basis in order to correctly predict blade airloads, acoustics, dynamics, and performance. Using the laser light sheet technique, tip vortex location can be acquired in a straightforward manner. Measuring wake velocities and vortex core size, however, has been difficult and tedious using point-measurement techniques such as laser velocimetry. Recently, the Particle Image Velocimetry (PIV) technique has proven to be an efficient method for acquiring velocity measurements over relatively large areas and volumes of a rotor wake. The work reported to date, however, has been restricted to 2-component velocity measurements of the rotor wake. Three-component velocity measurements of a hovering rotor wake were acquired at NASA Ames Research Center in May 1999. This experiment represents a major step toward understanding the detailed structure of a rotor wake. This paper will focus primarily on the experimental technique used in acquiring this data. The accuracy and limitations of the current technique will also be discussed. Representative velocity field measurements will be included.

Yamauchi, Gloria K.↗

Assessing the Impact of SMAP Soil Moisture Data Assimilation on the Simulation and Prediction of Tropical Cyclone Idai

The role of soil moisture in the evolution of tropical cyclones (TCs) approaching land has long been recognized. Dry land surface conditions can lead to faster dissipation of a TC over land (often associated with changes in precipitation structure), whereas very wet conditions can help sustain or even re-intensify a TC. The ability to forecast post-landfall TC evolution and mitigate the associated socio-economic impact thus hinges on accurate knowledge of land surface conditions prior to landfall. The NASA Soil Moisture Active Passive (SMAP) mission provides accurate observations of soil moisture globally and at high revisit times of 2-3 days. It has been shown that the assimilation of SMAPbrightness temperatures (Tb) significantly improves modeled land surface states and thus has the potential to constrain land surface initial conditions in TC forecasts. In this presentation, we investigate this potential through an extensive set of Observing System Experiments that systematically assess the impact of assimilating SMAP Tbs on TC forecast skill in the Goddard Earth Observing System. Focusing on the case of TC Idai, we show that the assimilation of SMAP generally leads to a drier soil moisture analysis for the land surface underneath much of the storm’s circulation. An exception is the direct TC track, where SMAP assimilation increases soil moisture. These changes are reflected in the surface fluxes, which propagate the land surface state changes to the atmosphere. This results a TC that is overall weaker with lower winds, but with a better-defined eye and a slightly smaller track error than a simulation without SMAP DA. The changes in soil moisture resulting from the assimilation of SMAP also impact the total precipitation amounts as well as the precipitation structure associated with TC Idai.

SMAP↗

Orbital angular momentum constraints in the variational optimization of the two-electron reduced-density matrix

The direct variational determination of the two-electron reduced-density matrix (2-RDM) corresponding to an atomic or molecular system is usually carried out in a basis of real-valued atom-centered Gaussian basis functions, under the assumption that the 2-RDM is a real-valued quantity. Furthermore, for systems that possess orbital angular momentum symmetry, the description of states with a well-defined, nonzero z projection of the orbital angular momentum requires a computational framework generalized to include either complex basis functions or a complex-valued 2-RDM. We consider a semidefinite program suitable for the direct optimization of a complex-valued 2-RDM and explore the role of orbital angular momentum constraints in systems that possess the relevant symmetries. For atomic systems, constraints on the expectation values of the square and z projection of the orbital angular momentum operator allow one to optimize 2-RDMs for multiple orbital angular momentum states. Similarly, in linear molecules, orbital angular momentum projection constraints enable the description of multiple electronic states and, moreover, the application of such constraints is essential for a qualitatively correct description of the electronic structure. For example, in the case of molecular oxygen, we demonstrate that orbital angular momentum constraints are necessary to recover the correct energy ordering of the lowest-energy singlet and triplet states near the equilibrium geometry. However, care must still be taken in the description of the dissociation limit, because the 2-RDM-based approach is not size consistent, and the size-consistency error varies dramatically, depending on the z projections of the spin and orbital angular momenta.

74 ATOMIC AND MOLECULAR PHYSICS↗

Static shape control for flexible structures

An integrated methodology is described for defining static shape control laws for large flexible structures. The techniques include modeling, identifying and estimating the control laws of distributed systems characterized in terms of infinite dimensional state and parameter spaces. The models are expressed as interconnected elliptic partial differential equations governing a range of static loads, with the capability of analyzing electromagnetic fields around antenna systems. A second-order analysis is carried out for statistical errors, and model parameters are determined by maximizing an appropriate defined likelihood functional which adjusts the model to observational data. The parameter estimates are derived from the conditional mean of the observational data, resulting in a least squares superposition of shape functions obtained from the structural model.

Rodriguez, G.↗

Operational Data Reduction Procedure for Determining Density and Vertical Structure of the Martian Upper Atmosphere from Mars Global Surveyor Accelerometer Measurements

The success of aerobraking by the Mars Global Surveyor (MGS) spacecraft was partly due to the analysis of MGS accelerometer data. Accelerometer data was used to determine the effect of the atmosphere on each orbit, to characterize the nature of the atmosphere, and to predict the atmosphere for future orbits. To interpret the accelerometer data, a data reduction procedure was developed to produce density estimations utilizing inputs from the spacecraft, the Navigation Team, and pre-mission aerothermodynamic studies. This data reduction procedure was based on the calculation of aerodynamic forces from the accelerometer data by considering acceleration due to gravity gradient, solar pressure, angular motion of the MGS, instrument bias, thruster activity, and a vibration component due to the motion of the damaged solar array. Methods were developed to calculate all of the acceleration components including a 4 degree of freedom dynamics model used to gain a greater understanding of the damaged solar array. The total error inherent to the data reduction procedure was calculated as a function of altitude and density considering contributions from ephemeris errors, errors in force coefficient, and instrument errors due to bias and digitization. Comparing the results from this procedure to the data of other MGS Teams has demonstrated that this procedure can quickly and accurately describe the density and vertical structure of the Martian upper atmosphere.

Cancro, George J.↗

Predictions of macro-scale fracture geometries from acoustic emission point cloud data in a hydraulic fracturing experiment

Observations of laboratory fracture testing by means of acoustic emission (AE) can provide a wealth of information regarding the fracturing process and the subsequent damage of the material or structure under load. A method for determining the structure of macro-scale fractures from a point cloud of AE events was developed and tested at the laboratory scale. An unconfined hydraulic fracturing experiment was performed on granite while monitoring acoustic emissions from six piezoelectric transducers on the surfaces of the specimen. The granite specimen dimensions were 30 × 30 × 25 cm 3 . The motivation of the AE analysis was to provide location information for a secondary wellbore placement which intersects the hydraulic fracture to complete a hydraulically connected binary well-hydraulic fracture system. Information gained from the 3D event source locations was used to optimize the location and orientation of secondary production well placement to intersect the induced hydraulic fracture. A direct method was developed to predict the location, orientation and shape of the hydraulic fracture from a dense cloud of AE events. The predicted fracture plane, which was assumed to be planar, was rotated in both the pitch and roll directions, while an average error of AE event distance between the assumed plane and the individual event locations was determined for each rotation iteration, resulting with a predicted fracture plane in the minimum error orientation. Post-test fracture observations were made and digitized in 3D space from coring and slabbing the granite specimen. The actual fracture observations were compared with the predicted fracture structure from AE and showed marked correlation. In conclusion, the simple method of determining macro-scale fracture location, orientation, and extents provided a useful tool for materials that exhibit large and disperse clouds of AE activity where coalesced fracture structure is not apparent.

42 ENGINEERING↗

Property Prediction of Organic Donor Molecules for Photovoltaic Applications Using Extremely Randomized Trees

Organic solar cells are an inexpensive, flexible alternative to traditional silicon-based solar cells but disadvantaged by low power conversion efficiency due to empirical design and complex manufacturing processes. This process can be accelerated by generating a comprehensive set of potential candidates. However, this would require a laborious trial and error method of modeling all possible polymer configurations. A machine learning model has the potential to accelerate the process of screening potential donor candidates by associating structural features of the compound using molecular fingerprints with their highest occupied molecular orbital energies. In this paper, extremely randomized tree learning models are employed for the prediction of HOMO values for donor compounds, and a web application is developed. Finally, the proposed models outperform neural networks trained on molecular fingerprints as well as SMILES, as well as other state-of-the-art architectures such as Chemception and Molecular Graph Convolution on two datasets of varying sizes.

42 ENGINEERING↗