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At least 1,747 records · Page 97

Adaptive Augmenting Control Flight Characterization Experiment on an F/A-18

This paper summarizes the Adaptive Augmenting Control (AAC) flight characterization experiments performed using an F/A-18 (TN 853). AAC was designed and developed specifically for launch vehicles, and is currently part of the baseline autopilot design for NASA's Space Launch System (SLS). The scope covered here includes a brief overview of the algorithm (covered in more detail elsewhere), motivation and benefits of flight testing, top-level SLS flight test objectives, applicability of the F/A-18 as a platform for testing a launch vehicle control design, test cases designed to fully vet the AAC algorithm, flight test results, and conclusions regarding the functionality of AAC. The AAC algorithm developed at Marshall Space Flight Center is a forward loop gain multiplicative adaptive algorithm that modifies the total attitude control system gain in response to sensed model errors or undesirable parasitic mode resonances. The AAC algorithm provides the capability to improve or decrease performance by balancing attitude tracking with the mitigation of parasitic dynamics, such as control-structure interaction or servo-actuator limit cycles. In the case of the latter, if unmodeled or mismodeled parasitic dynamics are present that would otherwise result in a closed-loop instability or near instability, the adaptive controller decreases the total loop gain to reduce the interaction between these dynamics and the controller. This is in contrast to traditional adaptive control logic, which focuses on improving performance by increasing gain. The computationally simple AAC attitude control algorithm has stability properties that are reconcilable in the context of classical frequency-domain criteria (i.e., gain and phase margin). The algorithm assumes that the baseline attitude control design is well-tuned for a nominal trajectory and is designed to adapt only when necessary. Furthermore, the adaptation is attracted to the nominal design and adapts only on an as-needed basis (see Figure 1). The MSFC algorithm design was formulated during the Constellation Program and reached a high maturity level during SLS through simulation-based development and internal and external analytical review. The AAC algorithm design has three summary-level objectives: (1) "Do no harm;" return to baseline control design when not needed, (2) Increase performance; respond to error in ability of vehicle to track command, and (3) Regain stability; respond to undesirable control-structure interaction or other parasitic dynamics. AAC has been successfully implemented as part of the Space Launch System baseline design, including extensive testing in high-fidelity 6-DOF simulations the details of which are described in [1]. The Dryden Flight Research Center's F/A-18 Full-Scale Advanced Systems Testbed (FAST) platform is used to conduct an algorithm flight characterization experiment intended to fully vet the aforementioned design objectives. FAST was specifically designed with this type of test program in mind. The onboard flight control system has full-authority experiment control of ten aerodynamic effectors and two throttles. It has production and research sensor inputs and pilot engage/disengage and real-time configuration of up to eight different experiments on a single flight. It has failure detection and automatic reversion to fail-safe mode. The F/A-18 aircraft has an experiment envelope cleared for full-authority control and maneuvering and exhibits characteristics for robust recovery from unusual attitudes and configurations aided by the presence of a qualified test pilot. The F/A-18 aircraft has relatively high mass and inertia with exceptional performance; the F/A-18 also has a large thrust-to-weight ratio, owing to its military heritage. This enables the simulation of a portion of the ascent trajectory with a high degree of dynamic similarity to a launch vehicle, and the research flight control system can simulate unstable longitudinal dynamics. Parasitic dynamics such as slosh and bending modes, as well as atmospheric disturbances, are being produced by the airframe via modification of bending filters and the use of secondary control surfaces, including leading and trailing edge flaps, symmetric ailerons, and symmetric rudders. The platform also has the ability to inject signals in flight to simulate structural mode resonances or other challenging dynamics. This platform also offers more test maneuvers and longer maneuver times than a single rocket or missile test, which provides ample opportunity to fully and repeatedly exercise all aspects of the algorithm. Prior to testing on an F/A-18, AAC was the only component of the SLS autopilot design that had not been flight tested. The testing described in this paper raises the Technology Readiness Level (TRL) early in the SLS Program and is able to demonstrate its capabilities and robustness in a flight environment.

VanZwieten, Tannen S.↗

A Two-Fold Structural Classification Method for Determining the Accurate Ensemble of Protein Structures

Atomic-level structural characterization of flexible proteins, such as intrinsically disordered proteins and multi-domain proteins connected by flexible linkers, is challenging as they possess distinct conformations in physiological conditions. Significant efforts have been made to develop integrated approaches by combining small angle neutron/X-ray scattering experiments with molecular simulations to reveal the distinct atomic structures and the corresponding populations for these flexible proteins. One widely used method, the basis-set supported ensemble method, classifies the simulation-generated protein conformations into a set of structural basis and then derives the corresponding populations by fitting to the experimental data. This method makes an implicit assumption that protein conformations of similar structures have similar small angle scattering profiles.The present work demonstrates that, for various protein systems ranging from compact globular proteins and flexible multidomain proteins through to intrinsically disordered proteins, this method provides inaccurate assessment of the structural ensemble of the protein molecules due to the breakdown of the assumption made. To alleviate this problem, a two-fold-clustering method is developed to cluster the simulation-generated protein structures using information on both 3D structure and scattering profiles. As benchmarked by both simulation and experimental results, this new method yields much more accurate populations of structural basis of protein molecules.

59 BASIC BIOLOGICAL SCIENCES↗

ZnO($10\bar 10$) Surface Hydroxylation under Ambient Water Vapor

The interaction of water vapor with a single crystal ZnO($10\bar 10$) surface was investigated using synchrotron-based ambient pressure X-ray photoelectron spectroscopy (APXPS). Two isobaric experiments were performed at 0.3 and 0.07 Torr water vapor pressure at sample temperatures ranging from 750 to 295 K up to a maximum of 2% relative humidity (RH). Below 10–4 % RH the ZnO($10\bar 10$) interface is covered with ~0.25 monolayers of OH groups attributed to dissociation at nonstoichiometric defect sites. At ~10–4 % RH there is a sharp onset in increased surface hydroxylation attributed to reaction at stoichiometric terrace sites. The surface saturates with an OH monolayer ~0.26 nm thick and occurs in the absence of any observable molecularly bound water, suggesting the formation of a 1 × 1 dissociated monolayer structure. This is in stark contrast to ultrahigh vacuum experiments and molecular simulations that show the optimum structure is a 2 × 1 partially dissociated H2O/OH monolayer. The sharp onset to terrace site hydroxylation at ~10–4 % RH for ZnO($10\bar 10$) contrasts with APXPS observations for MgO(100) which show a sharp onset at 10–2 % RH. A surface thermodynamic analysis reveals that this shift to lower RH for ZnO($10\bar 10$) compared to MgO(100) is due to a more favorable Gibbs free energy for terrace site hydroxylation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Repetitive proteins that undergo large conformational changes evade structural prediction algorithms

Protein structure prediction algorithms, such as AlphaFold, have accelerated protein design and advanced the understanding of the relationship between amino acid sequence and protein structure. However, these algorithms are limited in their ability to predict the structures of conformationally dynamic, intrinsically disordered, and stimuli-responsive proteins. To evaluate sequence-to-structure predictions of such challenging proteins, we explored a class of conformationally dynamic, repeats-in-toxin (RTX) proteins. RTX proteins adopt intrinsically disordered conformations in the absence of calcium and undergo reversible folding into β-roll structures upon binding to calcium. RTX proteins are characterized by tandem repeats of the sequence GGXGXDXUX, in which X can be any amino acid and U is an aliphatic amino acid. We designed RTX sequence variants with global substitutions of nonconserved amino acids, tandem repeats of consensus sequences GGAGXDTLY, and tandem repeats of scrambled sequences GGAGXDTYL. AlphaFold2 and AlphaFold3 predicted that all of these RTX variants adopt β-roll structures, characteristic of wild-type RTX bound to calcium. However, modeling the predicted structures with molecular dynamics simulations and characterizing the protein variants with circular dichroism spectroscopy, small-angle x-ray scattering, and x-ray crystallography revealed that variants adopt diverse, sequence-dependent structures in the absence and presence of calcium. To better design proteins for applications in biotechnology and sustainability, it is critical to build predictive tools that consider intrinsically disordered protein states and validate these tools with multi-mode, multi-scale experimental data.

Chang, Marina P. [Stanford Univ., CA (United State↗

Active region of a functionally integrated laser – modulator

A method for the functional integration of injection lasers and modulators of generated light in a single heterostructure with spatially displaced quantum wells in the conduction and valence bands, formed by the second-type heterojunctions, is proposed. The structures and energy band diagrams of the active regions of functionally integrated lasers – modulators with amplitude and frequency modulation are considered. A physical – topological model and a technique for numerical simulation of lasers – modulators is proposed. It is shown that the maximum modulation frequencies for the proposed heterostructures, in contrast to the same frequencies implemented under pump current modulation, are not limited by the duration of transients in the laser power supply circuit and the carrier lifetime in the laser active region but are determined by the photon lifetime in the cavity. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Research and test facilities

A description is given of each of the following Langley research and test facilities: 0.3-Meter Transonic Cryogenic Tunnel, 7-by 10-Foot High Speed Tunnel, 8-Foot Transonic Pressure Tunnel, 13-Inch Magnetic Suspension & Balance System, 14-by 22-Foot Subsonic Tunnel, 16-Foot Transonic Tunnel, 16-by 24-Inch Water Tunnel, 20-Foot Vertical Spin Tunnel, 30-by 60-Foot Wind Tunnel, Advanced Civil Transport Simulator (ACTS), Advanced Technology Research Laboratory, Aerospace Controls Research Laboratory (ACRL), Aerothermal Loads Complex, Aircraft Landing Dynamics Facility (ALDF), Avionics Integration Research Laboratory, Basic Aerodynamics Research Tunnel (BART), Compact Range Test Facility, Differential Maneuvering Simulator (DMS), Enhanced/Synthetic Vision & Spatial Displays Laboratory, Experimental Test Range (ETR) Flight Research Facility, General Aviation Simulator (GAS), High Intensity Radiated Fields Facility, Human Engineering Methods Laboratory, Hypersonic Facilities Complex, Impact Dynamics Research Facility, Jet Noise Laboratory & Anechoic Jet Facility, Light Alloy Laboratory, Low Frequency Antenna Test Facility, Low Turbulence Pressure Tunnel, Mechanics of Metals Laboratory, National Transonic Facility (NTF), NDE Research Laboratory, Polymers & Composites Laboratory, Pyrotechnic Test Facility, Quiet Flow Facility, Robotics Facilities, Scientific Visualization System, Scramjet Test Complex, Space Materials Research Laboratory, Space Simulation & Environmental Test Complex, Structural Dynamics Research Laboratory, Structural Dynamics Test Beds, Structures & Materials Research Laboratory, Supersonic Low Disturbance Pilot Tunnel, Thermal Acoustic Fatigue Apparatus (TAFA), Transonic Dynamics Tunnel (TDT), Transport Systems Research Vehicle, Unitary Plan Wind Tunnel, and the Visual Motion Simulator (VMS).

Source record↗

Dielectric Properties of Poly(ethylene oxide) from Molecular Dynamics Simulations

The order, conformations and dynamics of poly(oxyethylene) (POE) melts have been investigated through molecular dynamics simulations. The potential energy functions were determined from detailed ab initio electronic structure calculations of the conformational energies of the model molecules 1,2-dimethoxyethane (DME) and diethylether. The x-ray structure factor for POE from simulation will be compared to experiment. In terms of conformation, simulations reveal that chains are extended in the melt relative to isolated chains due to the presence of strong intermolecular O...H interactions, which occur at the expense of intramolecular O...H interactions. Conformational dynamics about the C-C bond were found to be significantly faster than in polymethylene, while conformational dynamics about the C-O bond even faster than the C-C dynamics. The faster local dynamics in POE relative to polymethylene is consistent with C-13 NMR spin-lattice relaxation experiments. Conformational transitions showed significant second-neighbor correlation, as was found for polymethylene. This correlation of transitions with C-C neighbors was found to be reduced relative to C-O neighbors. Dielectric relaxation from simulation will also be compared with experiment.

Smith, Grant D.↗

The development of inflatable array antennas

Inflatable array antennas are being developed to significantly reduce the mass, the launch vehicle's stowage volume, and the cost of future spacecraft systems. Three inflatable array antennas, recently developed for spacecraft applications, are a 3.3 m x 1.0 m L-band synthetic-aperture radar (SAR) array, a 1.0 m-diameter X-band telecom reflectarray, and a 3 m-diameter Ka-band telecom reflectarray. All three antennas are similar in construction, and each consists of an inflatable tubular frame that supports and tensions a multi-layer thin-membrane RF radiating surface with printed microstrip patches. The L-band SAR array achieved a bandwidth of 80 MHz, an aperture efficiency of 74%, and a total mass of 15 kg. The X-band reflectarray achieved an aperture efficiency of 37%, good radiation patterns, and a total mass of 1.2 kg (excluding the inflation system). The 3 m Ka-band reflectarray achieved a surface flatness of 0.1 mm RMS, good radiation patterns, and a total mass of 12.8 kg (excluding the inflation system). These antennas demonstrated that inflatable arrays are feasible across the microwave and millimeter-wave spectrums. Further developments of these antennas are deemed necessary, in particular, in the area of qualifying the inflatable structures for space-environment usage.

Inflatable array antennas↗

Collaborative atomic-scale design, analysis, and nanofabrication for record breaking, single-crystal Zn(x)Cd(1-x)Te solar cell arrays

Cadmium telluride (CdTe) based photovoltaics provide a viable solar energy solution because of their short payback time, low manufacturing cost, and high theoretical efficiency ~29%. However, the highest record laboratory efficiency is only 22.1% and long-term performance degradation is ~1 % per year which hinders greater economic viability. Higher open circuit voltage (Voc) and fill factor (FF) are needed to increase the efficiency of the solar cell. Cells with record energy conversion efficiencies report short current (Jsc) values close to their theoretical maximum. However, Voc and FF in these devices remain well below their anticipated optimum. These electrical parameters depend on the quality of the various layers in the solar cell. In particular they depend on the crystalline quality including the defect and impurity concentrations. Therefore understanding how defects and impurities form and evolve in the material layers is important to design devices with higher efficiency and stability. The aim of this project is to create a novel path around the fundamental barriers to achieve high open-circuit voltages (VOC ≥ 1.0 V) in CdTe/CdS solar cells. The idea of the project was to combine nanopatterned crystal growth and alloy compositional grading (with concomitant lattice parameter and energy band gap grading) to reduce the defect density and dramatically improve spatial uniformity of ZnxCd(1-x)Te/CdS cells. The lattice mismatch between ZnTe and CdS is 3.9% compared to a much larger 9.2% between CdTe and CdS. Importantly, when crystal growth is contained to the nanoscale, the strain in each layer is reduced by a factor of two due to strain partitioning and 3D strain relief mechanisms that come into play. This reduces the strain in the ZnTe from 3.9% to 1.95% which is within the range of metamorphic crystal growth. In preliminary studies, molecular dynamics simulation of ZnTe/CdS islands predicted dislocation-free material when the patterning was reduced to ~80 nm in diameter. The energy band gap of ZnxCd(1-x)Te is also graded in conjunction with alloy composition. ZnTe has an energy band gap of 2.3 eV. Finally, an added benefit of patterned growth is that it enables direct one-to-one study of the relationships between fabrication, microstructure and performance of individual crystal grains within the array. Experimental characterization techniques such as atomic probe tomography (APT) and transmission electron microscopy (TEM) have elucidated much about the microstructure of the layers. However, the techniques are destructive, costly and have limitations on the information they convey. For example, TEM gives information with atomic scale resolution but on 2-dimensional substrates. On the other hand, APT gives 3-dimensional information but is not able to resolve atomic scale structure. Alternatively, Molecular Dynamics (MD) simulations offer a solution to rapidly generate time-resolved, 3-dimensional, atomic scale structures of crystal growth. Direct MD simulations of microstructures of Cu-doped II-VI compound multilayers can impact the research on CdTe/CdS solar cells. Such MD simulations require an interatomic potential database that includes at least four elements Cu, Cd, Te, and S. The Stillinger-Weber (SW) potential is the most widely used interatomic potential for semiconductors. However, while SW potentials have been developed for Ga-In-As-Se-Te, Al-Ga-In-P-As-Sb, Cd-Te-Zn-As-Si, In-Ga-N systems, no potentials existed to simulate Cd-Zn-Hg-Se-S-Te-Cu. The goal of this effort was to fill the knowledge gap by developing a Zn-Cd-Hg-S-Se-Te-Cu SW potential database to enable MD simulations of microstructures of Cu-doped CdTe/CdS solar cells. The new potential was then applied, via MD crystal growth simulations, to study the growth mechanisms and atomic structures of the ZnTe/Cu/CdTe/CdS multilayers under various conditions. The objective of the project was to inform the solar cell community on crystal growth and defect formation at the interface between CdTe-based epilayers grown on CdS substrates. MD simulations offered a unique opportunity to analyze the 3-dimensional crystal growth evolution of Cu doped ZnxCd(1-x)TeyS(1-y) alloys with atomic scale resolution under a variety of conditions. The effect of substrate orientation and polycrystallinity on crystal growth was studied. Substrates with grain boundaries were created and the growth evolution on these substrates were analyzed. Another focus was to elucidate the effect of dopant incorporation on the nature of polycrystallinity crystal growth. Dopants available through the Stillinger-Weber potential developed in this project included Cu, Zn, S, Se, Hg and native vacancies.

14 SOLAR ENERGY↗

Large space structures activity at MSFC

This paper describes a broad based set of activities which have been undertaken at the Marshall Space Flight Center (MSFC) developing technologies necessary to emplace and operate large structures in space. Progress has been made in the development of processes and equipment needed for the in space fabrication of structural members in both aluminum and graphite composite materials. Designs for member joining attachments have been completed and the evaluation of procedures for structural assembly have been simulated and evaluated utilizing the MSFC Neutral Buoyancy Facility. A concept of a flight test necessary for flight verification of the technologies for space fabrication, assembly, and operation of large space structure is described. Recently initiated is a project to develop design characteristics of a deployable structure required for the Science and Applications Space Platform (SASP). This is being accomplished through the design, fabrication, analysis, and test of a full scale ground test article which reflects the influence of system requirements of the SASP. Development of designs for erectable/deployable structures which are modular and have various applications to large space structures is in progress.

Denton, S. J.↗

Tricoupled hybrid lattice Boltzmann model for nonisothermal drying of colloidal suspensions in micropore structures

A tricoupled hybrid lattice Boltzmann model (LBM) is developed to simulate colloidal liquid evaporation and colloidal particle deposition during the nonisothermal drying of colloidal suspensions in micropore structures. An entropic multiple-relaxation-time multirange pseudopotential two-phase LBM for isothermal interfacial flow is first coupled to an extended temperature equation for simulating nonisothermal liquid drying. Then the coupled model is further coupled with a modified convection diffusion equation to consider the nonisothermal drying of colloidal suspensions. Two drying examples are considered. First, drying of colloidal suspensions in a two-pillar micropore structure is simulated in two dimensions (2D), and the final configuration of colloidal particles is compared with the experimental one. Good agreement is observed. Second, at the temperature of 343.15 K ( 70°C ), drying of colloidal suspensions in a complex spiral-shaped micropore structure containing 220 pillars is simulated (also in 2D). The drying pattern follows the designed spiral shape due to capillary pumping, i.e., transport of the liquid from larger pores to smaller ones by capillary pressure difference. Because the colloidal particles are passively carried with liquid, they accumulate at the small menisci as drying proceeds. As liquid evaporates at the small menisci, colloidal particles are deposited, eventually forming solid structures between the pillars (primarily), and at the base of the pillars (secondarily). As a result, the particle deposition conforms to the spiral route. Qualitatively, the simulated liquid and particle configurations agree well with the experimental ones during the entire drying process. Quantitatively, the model demonstrates that the evaporation rate and the particle accumulation rate slowly decrease during drying, similar to what is seen in the experimental results, which is due to the reduction of the liquid-vapor interfacial area. In conclusion, the hybrid model shows the capability and accuracy for simulating nonisothermal drying of colloidal suspensions in a complex micropore structure both qualitatively and quantitatively, as it includes all the required physics and captures all the complex features observed experimentally. Such a tricoupled LBM has a high potential to become an efficient numerical tool for further investigation of real and complex engineering problems incorporating drying of colloidal suspensions in porous media.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Integrated Thermal Response Tool for Earth Entry Vehicles

A system is presented for multi-dimensional, fully-coupled thermal response modeling of hypersonic entry vehicles. The system consists of a two-dimensional implicit thermal response, pyrolysis and ablation program (TITAN), a commercial finite-element thermal and mechanical analysis code (MARC), and a high fidelity Navier-Stokes equation solver (GIANTS). The simulations performed by this integrated system include hypersonic flow-field, fluid and solid interaction, ablation, shape change, pyrolysis gas generation and flow, and thermal response of heatshield and structure. The thermal response of the ablating and charring heatshield material is simulated using TITAN, and that of the underlying structural is simulated using MARC. The ablating heatshield is treated as an outer boundary condition of the structure, and continuity conditions of temperature and heat flux are imposed at the interface between TITAN and MARC. Aerothermal environments with fluid and solid interaction are predicted by coupling TITAN and GIANTS through surface energy balance equations. With this integrated system, the aerothermal environments for an entry vehicle and the thermal response of both the heatshield and the structure can be obtained simultaneously. Representative computations for a proposed blunt body earth entry vehicle are presented and discussed in detail.

Chen, Y.-K.↗

Recent Hydrodynamic Modeling Enhancements in OpenFAST

To improve the hydrodynamic modeling capabilities of the offshore wind design and modeling tool OpenFAST, a restructuring of the HydroDyn hydrodynamics module was undertaken with several new features implemented. The generation of the wave field is now separated from HydroDyn into a new module called SeaState. Unlike previous versions of HydroDyn, which precomputed the wave kinematics at the undisplaced positions of the hydrodynamic nodes, the new SeaState module computes the complete time history of the wave field at the vertices of a user-defined wave grid. During the simulation, the wave kinematics at any point within the grid can be efficiently interpolated, allowing the strip-theory wave loads to be evaluated based on the wave kinematics at the displaced structure position. A phase correction was also implemented for the potential-flow wave-exciting loads to account for large structure displacements. Several wave-stretching methods were implemented for the strip-theory solution along with a wave-load redistribution method that ensures smooth variation of the nodal loads as the nodes of a discrete hydrodynamic mesh enter and exit the water. The load smoothing is included to avoid the excitation of unphysical high-frequency structural vibration during hydroelastic simulations. The MacCamy-Fuchs diffraction correction for the strip-theory solution and the capability to insert a constrained NewWave into extreme stochastic sea states with directional spreading were also added. The present article documents the formulations of the new improvements to HydroDyn with example applications and numerical results.

constrained wave↗

The Simons Observatory: modeling optical systematics in the Large Aperture Telescope

We present geometrical and physical optics simulation results for the Simons Observatory Large Aperture Telescope. This work was developed as part of the general design process for the telescope, allowing us to evaluate the impact of various design choices on performance metrics and potential systematic effects. The primary goal of the simulations was to evaluate the final design of the reflectors and the cold optics that are now being built. We describe nonsequential ray tracing used to inform the design of the cold optics, including absorbers internal to each optics tube. We discuss ray tracing simulations of the telescope structure that allow us to determine geometries that minimize detector loading and mitigate spurious near-field effects that have not been resolved by the internal baffling. We also describe physical optics simulations, performed over a range of frequencies and field locations, that produce estimates of monochromatic far-field beam patterns, which in turn are used to gauge general optical performance. Finally, we describe simulations that shed light on beam sidelobes from panel gap diffraction.

Gudmundsson, Jon E. (ORCID:0000000317600355)↗

The Simons Observatory: Modeling Optical Systematics in the Large Aperture Telescope

We present geometrical and physical optics simulation results for the Simons Observatory Large Aperture Telescope. This work was developed as part of the general design process for the telescope; allowing us to evaluate the impact of various design choices on performance metrics and potential systematic effects. The primary goal of the simulations was to evaluate the final design of the reflectors and the cold optics which are now being built. We describe non-sequential ray tracing used to inform the design of the cold optics, including absorbers internal to each optics tube. We discuss ray tracing simulations of the telescope structure that allow us to determine geometries that minimize detector loading and mitigate spurious near-field effects that have not been resolved by the internal baffling. We also describe physical optics simulations, performed over a range of frequencies and field locations, that produce estimates of monochromatic far field beam patterns which in turn are used to gauge general optical performance. Finally, we describe simulations that shed light on beam sidelobes from panel gap diffraction.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗