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At least 595 records · Page 33

Performance of OVERFLOW-D Applications based on Hybrid and MPI Paradigms on IBM Power4 System

This report briefly discusses our preliminary performance experiments with parallel versions of OVERFLOW-D applications. These applications are based on MPI and hybrid paradigms on the IBM Power4 system here at the NAS Division. This work is part of an effort to determine the suitability of the system and its parallel libraries (MPI/OpenMP) for specific scientific computing objectives.

Djomehri, M. Jahed↗

A Massively Parallel Hybrid Dusty-Gasdynamics and Kinetic Direct Simulation Monte Carlo Model for Planetary Applications

In order to understand the global structure, dynamics, and physical and chemical processes occurring in the upper atmospheres, exospheres, and ionospheres of the Earth, the other planets, comets and planetary satellites and their interactions with their outer particles and fields environs, it is often necessary to address the fundamentally non-equilibrium aspects of the physical environment. These are regions where complex chemistry, energetics, and electromagnetic field influences are important. Traditional approaches are based largely on hydrodynamic or magnetohydrodynamic (MHD) formulations and are very important and highly useful. However, these methods often have limitations in rarefied physical regimes where the molecular collision rates and ion gyrofrequencies are small and where interactions with ionospheres and upper neutral atmospheres are important. At the University of Michigan we have an established base of experience and expertise in numerical simulations based on particle codes which address these physical regimes. The Principal Investigator, Dr. Michael Combi, has over 20 years of experience in the development of particle-kinetic and hybrid kinetichydrodynamics models and their direct use in data analysis. He has also worked in ground-based and space-based remote observational work and on spacecraft instrument teams. His research has involved studies of cometary atmospheres and ionospheres and their interaction with the solar wind, the neutral gas clouds escaping from Jupiter s moon Io, the interaction of the atmospheres/ionospheres of Io and Europa with Jupiter s corotating magnetosphere, as well as Earth s ionosphere. This report describes our progress during the year. The contained in section 2 of this report will serve as the basis of a paper describing the method and its application to the cometary coma that will be continued under a research and analysis grant that supports various applications of theoretical comet models to understanding the inner comae of comets (grant NAGS- 13239 from the Planetary Atmospheres program).

Combi, Michael R.↗

Validation of the 5th and 95th Percentile Hybrid III Anthropomorphic Test Device Finite Element Model

NASA spacecraft design requirements for occupant protection are a combination of the Brinkley criteria and injury metrics extracted from anthropomorphic test devices (ATD's). For the ATD injury metrics, the requirements specify the use of the 5th percentile female Hybrid III and the 95th percentile male Hybrid III. Furthermore, each of these ATD's is required to be fitted with an articulating pelvis and a straight spine. The articulating pelvis is necessary for the ATD to fit into spacecraft seats, while the straight spine is required as injury metrics for vertical accelerations are better defined for this configuration. The requirements require that physical testing be performed with both ATD's to demonstrate compliance. Before compliance testing can be conducted, extensive modeling and simulation are required to determine appropriate test conditions, simulate conditions not feasible for testing, and assess design features to better ensure compliance testing is successful. While finite element (FE) models are currently available for many of the physical ATD's, currently there are no complete models for either the 5th percentile female or the 95th percentile male Hybrid III with a straight spine and articulating pelvis. The purpose of this work is to assess the accuracy of the existing Livermore Software Technology Corporation's FE models of the 5th and 95th percentile ATD's. To perform this assessment, a series of tests will be performed at Wright Patterson Air Force Research Lab using their horizontal impact accelerator sled test facility. The ATD's will be placed in the Orion seat with a modified-advanced-crew-escape-system (MACES) pressure suit and helmet, and driven with loadings similar to what is expected for the actual Orion vehicle during landing, launch abort, and chute deployment. Test data will be compared to analytical predictions and modelling uncertainty factors will be determined for each injury metric. Additionally, the test data will be used to further improve the FE model, particularly in the areas of the ATD neck components, harness, and suit and helmet effects.

Lawrence, C.↗

Green Monopropellant Status at Marshall Space Flight Center

NASA Marshall Space Flight Center is continuing investigations into the use of green monopropellants as a replacement for hydrazine in spacecraft propulsion systems. Work to date has been to push technology development through multiple activities designed to understand the capabilities of these technologies. Future work will begin to transition to mission pull as these technologies are mature while still keeping a solid goal of pushing technology development as opportunities become available. The AF-M315E activities began with hot-fire demonstration testing of a 1N monopropellant thruster in FY 14 and FY15. Following successful completion of the preliminary campaign, changes to the test stand to accommodate propellant conditioning capability and better control of propellant operations was incorporated to make testing more streamlined. The goal is to conduct hot-fire testing with warm and cold propellants using the existing feed system and original thruster design. Following the 1N testing, a NASA owned 100 mN thruster will be hot-fire tested in the same facility to show feasibility of scaling to smaller thrusters for cubesat applications. The end goal is to conduct a hot-fire test of an integrated cubesat propulsion system using an SLM printed propellant tank, an MSFC designed propulsion system electronic controller and the 100 mN thruster. In addition to the AF-M315E testing, MSFC is pursuing hot-fire testing with LMP-103S. Following our successful hot-fire testing of the 22N thruster in April 2015, a test campaign was proposed for a 440N LMP-103S thruster with Orbital ATK and Plasma Processes. This activity was funded through the Space Technology Mission Directorate (STMD) ACO funding call in the last quarter of CY15. Under the same funding source a test activity with Busek and Glenn Research Center for testing of 5N AF-M315E thrusters was proposed and awarded. Both activities are in-work with expected completion of hot-fire testing by the end of FY17. MSFC is continuing to coordinate with the AF and academia on understanding the chemical reactions that occur in AF-M315E. An on-going investigation of the catalyst bed species using Raman Spectroscopy through the NASA Technology Research Fellowship Program (NSTRF) is looking for ways to minimize the amount of computation required by understanding the intermediate species created in the catalyst bed. The MSFC team is also working with commercial partners through Cooperative Agreement Notices (CAN's). Partnerships with commercial and academia include work in non-catalytic ignition of AF-M315, spark ignition of hybrid cubesat systems, printed SLM tanks, and dual-mode (electric and chemical) propulsion systems is continuing.

Burnside, Christopher G.↗

Rapid Preliminary Design of Interplanetary Trajectories Using the Evolutionary Mission Trajectory Generator

Preliminary design of interplanetary missions is a highly complex process. The mission designer must choose discrete parameters such as the number of flybys, the bodies at which those flybys are performed, and in some cases the final destination. In addition, a time-history of control variables must be chosen that defines the trajectory. There are often many thousands, if not millions, of possible trajectories to be evaluated. This can be a very expensive process in terms of the number of human analyst hours required. An automated approach is therefore very desirable. This work presents such an approach by posing the mission design problem as a hybrid optimal control problem. The method is demonstrated on notional high-thrust chemical and low-thrust electric propulsion missions. In the low-thrust case, the hybrid optimal control problem is augmented to include systems design optimization.

Design↗

Functional Hazard Assessment for the eVTOL Aircraft Supporting Urban Air Mobility (UAM) Applications: Exploratory Demonstrations

The active development community surrounding electric vertical takeoff and landing (eVTOL) aircraft has demonstrated potential to bring new technological capabilities to market, encouraging visions of widespread and diverse Urban Air Mobility (UAM) applications. New capabilities always come with safety considerations, some familiar and others less so. OEMs who intend to obtain FAA type certification for their eVTOL designs must plan for and execute sufficient safety engineering processes to demonstrate that credible hazards associated with these eVTOL designs are adequately mitigated. This work provides an orientation for eVTOL stakeholders, especially new entrants and those in hybrid roles, to the safety and regulatory context for assuring eVTOL aircraft for UAM applications. We further present selections of functional hazard assessment (FHA) performed on a reference eVTOL concept, with process and decision narration. The exercise allows exploration of several safety considerations specific to eVTOL systems and demonstrates the FHA process together with negotiation of some of its options and variations.

Hazard Analysis↗

Magneto-opto-phononic inverse Faraday effect

Nonlinear frequency conversion processes, such as optical rectification, difference-frequency generation, and sum-frequency generation, are fundamental for producing electromagnetic radiation at diverse frequencies. In this work, we demonstrate that coherently excited infrared-active phonons can act as transducers for generating nonlinear magnetizations through phonon-magnon interactions, analogous to nonlinear optical frequency conversion. We derive analytical solutions for the time-dependent magnetizations arising from the second-order response to the electric field component of an ultrashort laser pulse. These solutions enable us to define second-order nonlinear magneto-electric susceptibilities, which describe rectification, impulsive excitation, and sum-frequency excitation of coherent magnons. Our theoretical framework naturally incorporates the conventional magneto-optic and phonon inverse Faraday effects and predicts a hybrid magneto-opto-phononic inverse Faraday effect involving photon-phonon-magnon scattering. This work highlights nonlinear phononics as a pathway for controlling magnetization in solids.

Landau-Lifschitz-Gilbert equation↗

X-ray Absorption Spectroscopy Studies of a Molecular CO 2 -Reduction Catalyst Deposited on Graphitic Carbon Nitride

Metal-ligand complexes have been extensively explored as well-defined molecular catalysts in small molecule activation reactions such as carbon dioxide (CO 2 ) reduction. Many hybrid photocatalysts have been prepared by coupling such complexes with photoactive surfaces for use in solar CO 2 reduction. In this work, we employ X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) spectroscopies, density functional theory (DFT) and computational XANES modeling to interrogate the structure of a hybrid photocatalyst consisting of a macrocyclic cobalt complex deposited on graphitic carbon nitride (C 3 N 4 ). Results show that the cobalt complex binds on C 3 N 4 through surface OH or NH 2 groups. By refining the local geometry and binding sites of this well-defined molecular cobalt complex on C 3 N 4 , here we established an important benchmark for modeling a large class of molecular catalysts that can be adapted to in situ/operando studies and further enhanced by applying chemometrics-based approaches and machine learning methods of XANES data analysis.

36 MATERIALS SCIENCE↗

Plasma waves associated with the space shuttle

Water molecules outgassed from the Space Shuttle suffer collisional charge-exchange with ionospheric oxygen ions, thereby forming unstable distributions of pick-up water ions and leading to high levels of plasma waves near the Shuttle. Liouville's equation with a charge-exchange source term is solved for the water ion distribution function as a function of position relative to the Shuttle. The observational characteristics of the near zone Shuttle waves are summarized. A linear theory in which beam like distributions of water ions drive Doppler shifted lower hybrid waves via the modified two stream instability is developed. This theory explains many characteristics of the near zone waves. Further work on the effects of wave nonlinearities and spatial inhomogeneity is required to explain the detailed frequency spectrum of the waves. The observed wave levels apparently satisfy the threshold condition for modulational instability of lower hybrid waves.

Cairns, I. H.↗

Aircraft Analysis Using the Layered and Extensible Aircraft Performance System (LEAPS)

The Layered and Extensible Aircraft Performance System (LEAPS) is a new air- craft analysis tool being developed by members of the Aeronautics Systems Analysis Branch (ASAB) and the Vehicle Analysis Branch (VAB) at NASA Langley Research Center. LEAPS will enable the analysis of advanced aircraft concepts and architec- tures that include electric and hybrid-electric propulsion systems. The development of LEAPS is motivated by the analysis gaps found in traditional aircraft analysis tools such as the Flight Optimization System (FLOPS). FLOPS has been the tool of choice of the ASAB for over 30 years and has proven to be a reliable analysis tool for conventional aircraft. However, FLOPS is not suitable to analyze the cur- rent unconventional vehicles that are of interest to industry, government agencies, and academia. In contrast, LEAPS is being developed with a flexible architecture that leverages new analysis methodologies that will enable the analysis of unconven- tional aircraft. This paper presents the first complete working version of LEAPS by showing the analysi at include fuel-based and hybrid-electric conceptual aircraft.

Capristan, Francisco M.↗

Multi-Objective Hybrid Optimal Control for Multiple-Flyby Interplanetary Mission Design Using Chemical Propulsion

Preliminary design of high-thrust interplanetary missions is a highly complex process. The mission designer must choose discrete parameters such as the number of flybys and the bodies at which those flybys are performed. For some missions, such as surveys of small bodies, the mission designer also contributes to target selection. In addition, real-valued decision variables, such as launch epoch, flight times, maneuver and flyby epochs, and flyby altitudes must be chosen. There are often many thousands of possible trajectories to be evaluated. The customer who commissions a trajectory design is not usually interested in a point solution, but rather the exploration of the trade space of trajectories between several different objective functions. This can be a very expensive process in terms of the number of human analyst hours required. An automated approach is therefore very desirable. This work presents such an approach by posing the impulsive mission design problem as a multiobjective hybrid optimal control problem. The method is demonstrated on several real-world problems.

Trajectory↗

Runtime performance of a GAMESS quantum chemistry application offloaded to GPUs

Summary Computational chemistry is at the forefront of solving urgent societal problems, such as polymer upcycling and carbon capture. The complexity of modeling these processes at appropriate length and time scales is mainly manifested in the number and types of chemical species involved in the reactions and may require models of several thousand atoms and large basis sets to accurately capture the chemical complexity and heterogeneity in the physical and chemical processes. The quantum chemistry package General Atomic and Molecular Electronic Structure System (GAMESS) has a wide array of methods that can efficiently and accurately treat complex chemical systems. In this work, we have used the GAMESS Effective Fragment Molecule Orbital (EFMO) method for electronic structure calculation of a challenging mesoporous silica nanoparticle (MSN) model surrounded by about 4700 water molecules to investigate the strong scaling and GPU offloading on hybrid CPU‐GPU nodes. Experiments were performed on the Perlmutter platform at the National Energy Research Scientific Computing Center. Good strong scaling and load balancing have been observed on up to 88 hybrid nodes for different settings of the execution parameters for the calculation considered here. When GPUs are oversubscribed by offloading work from multiple CPU processes, using the NVIDIA multi‐process service (MPS) has consistently reduced time to solution and energy consumed. Additionally, for some configuration parameter settings, oversubscription with MPS improved performance by up to 5.8% over the case without oversubscription.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Constructing O2/O3 homogeneous hybrid stabilizes Li-rich layered cathodes

With the advantages of high energy density and low manufacture cost, lithium-rich layered oxides (LLOs), typically with a layered O3-type structure, are regarded as promising cathodes for lithium-ion batteries (LIBs), but their broad usages are hindered by severe voltage decay over cycling. Although recent progress in O2-type LLOs has aroused interest for their less voltage decay, the critical barrier of unsatisfactory capacity retention has not been overcome yet. In this work, to tackle these handicaps, we design a new type of LLO (O2/O3-type LLO) with a homogeneous hybrid structure, where the O2 and O3 lattice stacking sequences are arranged alternatively. Benefitting from this novel O2/O3 hybrid structure, the designed material shows greatly improved voltage and capacity stability than that of pure O2- and O3-type LLOs. Revealed by in-situ synchrotron X-ray diffraction and operando differential electrochemical mass spectra, the O2/O3-hybrid LLO cathode shows a more reversible structural evolution, smaller volume change and suppressed oxygen loss during the electrochemical processes. Our approach has initiated a new way to reduce the capacity and voltage decay of LLOs, which endows great promise to the development of high-energy-density LIBs.

25 ENERGY STORAGE↗

Light-Induced Dynamic Frequency Shifting of Microwave Photons in a Superconducting Electro-Optic Converter

Hybrid superconducting-photonic microresonators are a promising platform for realizing microwave-to-optical transduction. However, the absorption of scattered photons by the superconductors leads to unintended microwave resonance-frequency variation and line-width broadening. Here, we experimentally study the dynamics of this effect and its impact on microwave-to-optics conversion in an integrated lithium niobate–superconductor hybrid-resonator platform. Here, we unveil an adiabatic frequency shifting of the intracavity microwave photons induced by the fast photoresponses of the thin-film superconducting resonator. As a result, the temporal and spectral responses of electro-optics transduction are modified and well described by our theoretical model. This work provides insights into the light-induced conversion dynamics that must be considered in future designs of hybrid superconducting-photonic system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Inverse design of two-dimensional graphene/h-BN hybrids by a regressional and conditional GAN

Design of materials with desired properties is currently laborious and heavily relies on intuition of researchers through a trial-and-error process. To tackle this challenge, in this work we propose a novel regressional and conditional generative adversarial network (RCGAN) for inverse design of representative two-dimensional materials, the graphene and boron-nitride (BN) hybrids. RCGAN incorporates a supervised regressor network, thus overcoming the common technical barrier in the traditional unsupervised GANs, which cannot generate data when fed with continuous and quantitative labels. RCGAN can autonomously generate graphene/BN hybrids given any target bandgap values. These structures are distinguished from the ones used for training and exhibit high diversity for a given bandgap. Moreover, they exhibit high fidelity, yielding bandgaps within ~10% MAE F of the desired bandgaps as validated by density functional theory (DFT) calculations. Analysis by the principle component analysis (PCA) and modified locally linear embedding (MLLE) reveals that the generator has successfully generated structures following the statistical distribution of the real structures. It implies the possibility of the RCGAN in recognizing physical rules hidden in the high-dimensional data. The novel strategy for designing regressional GAN architecture together with the successful application to inverse design of materials would inspire further exploration in research fields beyond materials.

36 MATERIALS SCIENCE↗

Subsonic Ultra Green Aircraft Research: Phase IV Final Report – Volume I Mach 0.80 Transonic Truss-Braced Wing High-Speed Design Report

This design report summarizes work performed by the Boeing Subsonic Ultra-Green Aircraft Research (SUGAR) team from December 2016 through June 2018. In Phase IV of the SUGAR program, Boeing is working to improve the productivity of a TTBW configuration by updating the Mach 0.745 vehicle concept to operate efficiently at Mach 0.80. Due to the aerodynamic and structural design challenges associated with adapting the design to a higher speed, design tasks have been broken into several subtasks. The information in this report (Volume I) documents the development of a Mach 0.80 vehicle outer mold line, maturation of TTBW structural concepts, and presents a preliminary high-liftsystem assessment. Results from these studies were integrated into an aircraft-level performance code that estimates the benefits of TTBW technology, both on its own and as a part of the SUGAR integrated technology suite. The aerodynamic performance results presented herein detail the high cruise efficiency of the TTBW concept operating at M=0.80. Results from the RANS code OVERFLOW indicate that the TTBW is aerodynamically well suited for operation at the design M=0.80 transonic cruise Mach number. Aircraft-level performance predictions show that the TTBW offers a 7.2% improvement in fuel burn (per seat) for an economic mission of 900nm, and a 9.0% improvement in fuel burn (per seat) for a 3500nm mission with full passenger payload, relative to an aspect ratio 13 conventional tube and wing configuration of equivalent technology. Integration of the TTBW performance benefits into the SUGAR technology suite shows a 55.9% reduction in fuel burn (for the economic mission) relative to the reference (SUGAR Free) aircraft, which is a consistently sized traditional cantilever wing, single-aisle transport typical of the 2008 fleet. This benefit does not include the performance improvement potential of hybrid-electric systems studied in earlier phases of the SUGAR program Structural concept development work completed in Phase IV has identified several strut attachment concepts that are worth additional development activity – an inboard strut attachment swivel joint concept (which enables the strut to carry axial loads while avoiding strut bending induced by wing twist during flight) significantly simplifies the construction of the main strut. An outboard offset strut attachment concept holds significant potential for further reductions in wing-strut interference drag. Based on work performed to date on Phase IV and the previous phases of the SUGAR program, the TTBW concept continues to remain a viable concept for significantly improving the performance of future aircraft. High-fidelity aerodynamic analysis of the Mach 0.80 TTBW aircraft has shown fuel burn improvement that has exceeded initial expectations despite the increase in cruise Mach number. Structural concept maturation has continued to refine the TTBW structure, and has found no obvious ‘show-stoppers’ to date. Therefore, the potential benefit of improved performance through the use of a very high aspect ratio strut-braced wing continues to warrant additional study

SUGAR↗

Refining Control, Charging, and Battery Chemistry for CO 2 e Savings in Heavy-Duty Off-Road Plug-In Series Hybrid

With current and future regulations continuing to drive reductions in carbon dioxide equivalent (CO 2 e) emissions in the on-road industry, the off-road industry is also likely to be regulated for fuel and CO 2 e savings. This work focuses on converting a heavy-duty off-road material handler from a conventional diesel powertrain to a plug-in series hybrid, achieving a 49% fuel reduction and 29% CO 2 e reduction via simulation. Control strategies were refined for energy savings, including a regenerative braking strategy to increase regenerative braking and a load-following hydraulic strategy to decrease electrical energy consumption. The load-following hydraulic control shuts off the hydraulic electric machine when it is not needed—an approach not previously seen in a load-sensing, pressure-compensated system. Furthermore, these strategies achieved a 24.1% fuel savings, resulting in total savings of 61% in fuel and 41% in CO 2 e in the plug-in series compared to the conventional machine. Beyond control strategies, this study evaluated battery chemistry and charging strategy refinements for total cost of ownership (TCO) and lifetime CO 2 e. LFP batteries emerged as the most cost-effective and least emitting due to their longer lifespan, which reduced replacement frequency. Charging comparisons showed that Level 2 charging (L2C) typically resulted in lower TCO but higher lifetime CO 2 e than DC fast charging (DCFC). DCFC costs were heavily influenced by local demand charges, and DCFC emissions were heavily influenced by local grid emissions.

33 ADVANCED PROPULSION SYSTEMS↗