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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 379 records · Page 21

Identifying High-Performance Metal–Organic Frameworks for Low-Temperature Oxygen Recovery from Helium by Computational Screening

Metal–organic frameworks (MOFs) are an important class of porous crystalline materials for applications ranging from gas adsorption and separation to catalysis. There are thousands of potential MOFs available for separation applications. Here, we developed a computational approach to screen MOFs for the separation of oxygen–helium mixtures at low temperatures (100–200 K), conditions that were motivated by issues associated with propulsion in space-based settings. We used detailed molecular simulations for a small number of MOFs to develop screening methods that were then used to estimate the optimum temperatures for separations using pressure swing adsorption for 2932 MOFs from the CoRE MOF database and the swing capacity and oxygen–helium selectivity at these temperatures. We used the stability of the best-performing structures in the presence of moisture as a means to provide a short list of high-performance materials. In addition to identifying specific materials for oxygen–helium separations, this approach could prove useful for selecting adsorbents for other gas separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Computer Modeling of Real-Time Dynamic Lighting

Space Station tasks involve procedures that are very complex and highly dependent on the availability of visual information. In many situations, cameras are used as tools to help overcome the visual and physical restrictions associated with space flight. However, these cameras are effected by the dynamic lighting conditions of space. Training for these is conditions is necessary. The current project builds on the findings of an earlier NRA funded project, which revealed improved performance by humans when trained with computer graphics and lighting effects such as shadows and glare.

Maida, James C.↗

Unsteady Analyses of Valve Systems in Rocket Engine Testing Environments

This paper discusses simulation technology used to support the testing of rocket propulsion systems by performing high fidelity analyses of feed system components. A generalized multi-element framework has been used to perform simulations of control valve systems. This framework provides the flexibility to resolve the structural and functional complexities typically associated with valve-based high pressure feed systems that are difficult to deal with using traditional Computational Fluid Dynamics (CFD) methods. In order to validate this framework for control valve systems, results are presented for simulations of a cryogenic control valve at various plug settings and compared to both experimental data and simulation results obtained at NASA Stennis Space Center. A detailed unsteady analysis has also been performed for a pressure regulator type control valve used to support rocket engine and component testing at Stennis Space Center. The transient simulation captures the onset of a modal instability that has been observed in the operation of the valve. A discussion of the flow physics responsible for the instability and a prediction of the dominant modes associated with the fluctuations is presented.

Shipman, Jeremy↗

Data-driven design of novel halide perovskite alloys

The great tunability of the properties of halide perovskites presents new opportunities for optoelectronic applications as well as significant challenges associated with exploring combinatorial chemical spaces. Here, in this work, we develop a framework powered by high-throughput computations and machine learning for the design and prediction of mixed cation halide perovskite alloys. In a chemical space of ABX 3 perovskites with a selected set of options for A, B, and X species, pseudo-cubic structures with B-site mixing are simulated using density functional theory (DFT) and several properties are computed, including stability, lattice constant, band gap, vacancy formation energy, refractive index, and optical absorption spectrum, using both semi-local and hybrid functionals. Neural networks (NN) are used to train predictive models for every property using tabulated elemental properties of A, B, and X site species as descriptors. Starting from a DFT dataset of 229 points, we use the trained NN models to predict the structural, energetic, electronic, and optical properties of an extensive dataset of 17955 compounds, and perform high-throughput screening in terms of stability, band gap, and defect tolerance, to obtain 392 promising compounds that are ranked as potential absorbers according to their photovoltaic figure of merit. Compositional trends in the screened set of attractive mixed cation halide perovskites are revealed and additional computations are performed on selected compounds. The data-driven design framework developed here is promising for designing novel mixed compositions and can be extended to a wider perovskite chemical space in terms of A, B, and X species, different kinds of mixing at the A, B, or X sites, non-cubic phases, and other properties of interest.

36 MATERIALS SCIENCE↗

Topology Optimization of Curved Electrodes with Suggested Simplified Corrugated Designs

The demand for space-efficient energy storage, from grid to device scale, has soared with the rapid electrification of society. To increase energy density while maintaining high rate performance, shaping electrodes has been shown to be an effective strategy. Computational optimization can suggest designs that improve energy storage performance; however, generated designs are often complex, leading to manufacturing challenges. Additionally, most optimization is typically conducted in standard rectangular domains, whereas some applications, such as in the aerospace industry or in consumer electronics, may benefit from optimized electrodes that fit in a nonstandard form factor. Here, in this work, we use topology optimization to design capacitive full-cell electrodes in a curved domain. We propose a simplified corrugated electrode design based on the optimization results and show that the energy stored in the simplified design is only reduced by about 5–27% when compared to that in the fully optimized design, with more deviation occurring when ionic transport in the porous electrode is particularly impeded. Overall, we find that these simplified designs are promising, particularly given the more conventional manufacturing techniques required, and have a 42–369% increase in energy stored compared to monolithic electrodes.

Energy - Storage↗

𝐹 𝐾 ⁡/𝐹 𝜋 from Möbius domain-wall fermions solved on gradient-flowed HISQ ensembles

We report the results of a lattice quantum chromodynamics calculation of 𝐹 𝐾 ⁡/𝐹 𝜋 using Möbius domain-wall fermions computed on gradient-flowed 𝑁 𝑓 =2 +1 +1 highly improved staggered quark (HISQ) ensembles. The calculation is performed with five values of the pion mass ranging from 130 ≲ 𝑚 𝜋 ≲ 400 MeV , four lattice spacings of 𝑎 ∼ 0.15, 0.12, 0.09 and 0.06 fm and multiple values of the lattice volume. The interpolation/extrapolation to the physical pion and kaon mass point, the continuum, and infinite volume limits are performed with a variety of different extrapolation functions utilizing both the relevant mixed-action effective field theory expressions as well as discretization-enhanced continuum chiral perturbation theory formulas. We find that the 𝑎 ∼ 0.06 fm ensemble is helpful, but not necessary to achieve a subpercent determination of 𝐹 𝐾 ⁡/𝐹 𝜋 . We also include an estimate of the strong isospin breaking corrections and arrive at a final result of 𝐹 $\hat{K}$ + ⁡ /𝐹 $\hat{𝜋}$ + = 1.1942⁢(45) with all sources of statistical and systematic uncertainty included. This is consistent with the Flavour Lattice Averaging Group average value, providing an important benchmark for our lattice action. Combining our result with experimental measurements of the pion and kaon leptonic decays leads to a determination of |𝑉 𝑢⁢𝑠 |/|𝑉 𝑢⁢𝑑 | = 0.2311⁢(10).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Fed-DeepONet: Stochastic Gradient-Based Federated Training of Deep Operator Networks

The Deep Operator Network (DeepONet) framework is a different class of neural network architecture that one trains to learn nonlinear operators, i.e., mappings between infinite-dimensional spaces. Traditionally, DeepONets are trained using a centralized strategy that requires transferring the training data to a centralized location. Such a strategy, however, limits our ability to secure data privacy or use high-performance distributed/parallel computing platforms. To alleviate such limitations, in this paper, we study the federated training of DeepONets for the first time. That is, we develop a framework, which we refer to as Fed-DeepONet, that allows multiple clients to train DeepONets collaboratively under the coordination of a centralized server. To achieve Fed-DeepONets, we propose an efficient stochastic gradient-based algorithm that enables the distributed optimization of the DeepONet parameters by averaging first-order estimates of the DeepONet loss gradient. Then, to accelerate the training convergence of Fed-DeepONets, we propose a moment-enhanced (i.e., adaptive) stochastic gradient-based strategy. Finally, we verify the performance of Fed-DeepONet by learning, for different configurations of the number of clients and fractions of available clients, (i) the solution operator of a gravity pendulum and (ii) the dynamic response of a parametric library of pendulums.

Moya, Christian↗

Multi-blade Navier-Stokes simulations of rotor-stator interaction in a turbine stage

Turbulent flow fields of multiblade rotor/stator configurations in a turbine stage for the high pressure fuel side turbopump of the space shuttle main engine are obtained using a computer program that can simulate flows in a stage with an unequal number of rotor and stator blades. The calculations are performed on a system of multiple patched and overlaid grids using the unsteady, thin-layer Navier-Stokes equations in two-dimension. Aerodynamic performance of two rotor/stator configurations are studied and compared in the form of pressure contours, Mach number contours, time averaged surface pressure, and unsteady pressure amplitude. Spatial and temporal accuracy of flow calculations along with computation cost are evaluated for the purpose of engineering design applications.

Lin, S. J.↗

Characterizations of electrical properties of highT(sub c) superconducting materials

The automated data acquisition system developed in the Space Science Laboratory at Marshall Space Flight Center for measuring electrical properties of high temperature superconductors is described. The acquisition system, consisting of a computer and computer-controlled hardware, allows large numbers of voltage, current, temperature, and magnetic measurements to be performed on bulk and thin film samples. Typical results are shown characterizing transition temperature (T sub c), critical current density (J sub c), and magnetic properties of bulk high T(sub c) materials as a function of temperature.

Sisk, R. C.↗

Welding in space and the construction of space vehicles by welding; Proceedings of the Conference, New Carrollton, MD, Sept. 24-26, 1991

The present conference discusses such topics in spacecraft welding as the NASA Long Duration Exposure Facility's evidence on material properties degradation, EVA/telerobotic construction techniques, welding of the superfluid helium on-orbit transfer flight demonstration tanks and hardware, electron-beam welding of aerospace vehicles, variable-polarity plasma arc keyhole welding of Al, aircraft experiments of low-gravity fusion welding, flash-butt welding of Al alloys, and a computer-aided handbook for space welding fabrication. Also discussed are the welded nozzle extension for Ariane launch vehicles, the existence of on-orbit cold-welding, structural materials performance in long-term space service, high-strength lightweight alloys, steels, and heat-resistant alloys for aerospace welded structures, the NASA-Goddard satellite repair program, and the uses of explosion welding and cutting in aerospace engineering.

Source record↗

Dynamic Shared Computing Resources for Multi-Robot Mars Exploration

The NASA roadmap for 2020 and beyond includes several key technologies which will have a game-changing impact on planetary exploration. The first of these is High Performance Spaceflight Computing (HPSC), which will provide orders of magnitude increases in processing power for next-generation rovers and orbiters (Doyle et al. 2013). The second is Delay Tolerant Networking, which overlays the Deep Space Network, providing internet-like abstractions and store-forward to route data through intermittent delays in connectivity. The third is a trend toward small, co-dependent robots included in flagship missions (MarCO, PUFFER, and Mars Heli). Taken together, these imply an increasing amount of communication and computing heterogeneity on Mars in coming decades. Motivated by these technological trends, we study the concept of Mars on-site shared analysis, information, and communication (MOSAIC) for Mars exploration. The key algorithmic problem associated with MOSAIC networks is simultaneous scheduling of computation, communication, and caching of data, which we illustrate using the three scenarios. We present models, preliminary solutions, and simulation results for two scenarios, showing how mission efficiency relates to communication bandwidth, processing power, geography of the environment, and optimal scheduling of computation, communication, and data caching. The third scenario illustrates future directions of this work.

Chien, Steve↗

Distributed Exhaust Nozzles for Jet Noise Reduction

The main objective of this study is to validate the jet noise reduction potential of a concept associated with distributed exhaust nozzles. Under this concept the propulsive thrust is generated by a larger number of discrete plumes issuing from an array of small or mini-nozzles. The potential of noise reduction of this concept stems from the fact that a large number of small jets will produce very high frequency noise and also, if spaced suitably, they will coalesce at a smaller velocity to produce low amplitude, low frequency noise. This is accomplished through detailed acoustic and fluid measurements along with a Computational Fluidic Dynamic (CFD) solution of the mean (DE) Distributed Exhaust nozzle flowfield performed by Northrop-Grumman. The acoustic performance is quantified in an anechoic chamber. Farfield acoustic data is acquired for a DE nozzle as well as a round nozzle of the same area. Both these types of nozzles are assessed numerically using Computational Fluid Dynamic (CFD) techniques. The CFD analysis ensures that both nozzles issued the same amount of airflow for a given nozzle pressure ratio. Data at a variety of nozzle pressure ratios are acquired at a range of polar and azimuthal angles. Flow visualization of the DE nozzle is used to assess the fluid dynamics of the small jet interactions. Results show that at high subsonic jet velocities, the DE nozzle shifts its frequency of peak amplitude to a higher frequency relative to a round nozzle of equivalent area (from a S(sub tD) = 0.24 to 1. 3). Furthermore, the DE nozzle shows reduced sound pressure levels (as much as 4 - 8 dB) in the low frequency part of the spectrum (less than S(sub tD) = 0.24 ) compared to the round nozzle. At supersonic jet velocities, the DE nozzle does not exhibit the jet screech and the shock-associated broadband noise is reduced by as much as 12 dB.

Ahuja, K. K.↗

Chip-scale frequency combs for data communications in computing systems

Recent developments in chip-based frequency-comb technology demonstrate that comb devices can be implemented in applications where photonic integration and power efficiency are required. The large number of equally spaced comb lines that are generated make combs ideal for use in communication systems, where each line can serve as an optical carrier to allow for massively parallel wavelength-division multiplexing (WDM) transmission. In this review, we summarize the developments in integrated frequency-comb technology for use as a WDM source for communication systems in data centers and high-performance computing systems. We highlight the following three approaches for chip-scale comb generation: semiconductor modelocked lasers, electro-optic combs, and Kerr frequency combs.

Okawachi, Yoshitomo (ORCID:0000000196390549)↗

EQSIM—A multidisciplinary framework for fault-to-structure earthquake simulations on exascale computers part I: Computational models and workflow

Computational simulations have become central to the seismic analysis and design of major infrastructure over the past several decades. Most major structures are now “proof tested” virtually through representative simulations of earthquake-induced response. More recently, with the advancement of high-performance computing (HPC) platforms and the associated massively parallel computational ecosystems, simulation is beginning to play a role in increased understanding and prediction of ground motions for earthquake hazard assessments. However, the computational requirements for regional-scale geophysics-based ground motion simulations are extreme, which has restricted the frequency resolution of direct simulations and limited the ability to perform the large number of simulations required to numerically explore the problem parametric space. In this article, recent developments toward an integrated, multidisciplinary earth science-engineering computational framework for the regional-scale simulation of both ground motions and resulting structural response are described with a particular emphasis on advancing simulations to frequencies relevant to engineered systems. This multidisciplinary computational development is being carried out as part of the US Department of Energy (DOE) Exascale Computing Project with the goal of achieving a computational framework poised to exploit emerging DOE exaflop computer platforms scheduled for the 2022–2023 timeframe.

58 GEOSCIENCES↗

Collaborative Research: Advancing Arctic Climate Projection Capability at Seasonal to Decadal Scales (Final Technical Report)

The Regional Arctic System Model (RASM) at process resolving configurations has been used to (i) advance understanding of physical processes and feedbacks involved in Arctic amplification and (ii) understand and potentially reduce uncertainty in prediction of arctic climate change at seasonal to decadal scales. RASM consists the atmosphere (Weather and Research Forecasting model, WRF), ocean (Parallel Ocean Program, POP), sea ice (CICE), land hydrology (Variable Infiltration Capacity model, VIC), river routing scheme (RVIC), marine biogeochemistry components and the coupling framework (CPL7). Its domain is pan-Arctic, with the atmosphere and land components configured on a 50-km or 25-km grid and four configurations of the ocean and sea ice components: 1/12°(~9.3km) or 1/48°(~2.4km) and 45 or 60 vertical layers. These RASM configurations have been motivated by the emerging exascale capability for high performance computing to improve model fidelity. The dynamical downscaling of reanalysis allows comparison of RASM results with observations in place and time to: (i) advance system level understanding of physical processes and coupling involved in an event, (ii) optimize model parameter space, (iii) diagnose and reduce model biases and (iv) produce realistic and consistent across all the components initial conditions for predictions and predictability studies, which are all unique capabilities not available in global Earth System Models (ESMs). An evaluation of RASM 1.0 (Cassano et al. 2017) revealed that it had a cold bias over the oceans and a warm bias over land areas due largely to cloud and radiation biases in the model, with too little cloud cover simulated over land and too much cloud cover simulated over sub-polar oceans. This study has motivated an upgrade to WRF version 3.7.1 in RASM and allowed for the inclusion of the radiative impact of convective clouds. A variety of atmospheric physics parameterizations were evaluated against observations (e.g. data from the Arctic Clouds in Summer Experiment (ACSE); Sedlar et al. 2020) to identify an optimal suite of WRF physics options in RASM. The RASM with the optimized WRF physics were used to study the impact of strong mesoscale winds over the ocean around the southern tip of Greenland (DuVivier and Cassano 2016) and their impact on oceanic convection (DuVivier et al. 2017a). Data from the PolarWinds field campaign were used to evaluate WRF boundary layer physics and resolution impacts on the simulation of a Greenland barrier wind event (DuVivier et al. 2017b). The RVIC streamflow routing model has been implemented in RASM to realistically represent high-resolution streamflow processes (Hamman et al. 2017) and to couple the land buoyancy fluxes to the ocean. The RASM-RVIC high-resolution data set of all coastal freshwater fluxes for the Arctic drainage basin and surrounding areas for 1979-2014 was published as a separate product (https://doi.org/10.5281/zenodo.293037). The fidelity of atmospheric momentum transfer to and the response of polar marine Ekman layer in RASM and Community Earth System Model (CESM) was investigated by Roberts et al. (2015). The increased frequency of oceanic flux exchange in CESM, following the RASM guidance, caused a considerable increase in the median inertial ice speed across the Southern Ocean and parts of the Arctic. A comprehensive evaluation of the RASM1.0 atmosphere-ocean-sea ice-land interface was completed by Brunke et al. (2018). RASM was also demonstrated for its capability to simulate extreme events in agreement with observations in space and time (Lee et al. submitted). In particular, the development of three open water events, known as polynyas, have been simulated north of Greenland in February of 2011, 2017 and 2018, in agreement with satellite observations for the past four decades. The optimized RASM sea ice results have been favorably evaluated against satellite observations and a subset of eleven CMIP6 models (Watts et al. submitted). In a complementary project, Jin et al. (2018) have shown that RASM with higher-resolution and new sea-ice processes contributed to lower model errors in sea-ice conditions, concentrations of nutrients and ice algae, in comparison to results from the coarse-resolution (1°) CESM. In two other complementary studies, RASM results were used (i) to explain areas of concentrated use by bowhead whales, the seasonal progression in the use, and the physical environment within those areas (Citta et al. 2015) and (ii) for a synthesis of fall bowhead whales distribution and migration in the Bering-Chukchi-Beaufort (BCB) Sea to investigate whale movements and feeding to the local ocean hydrography and currents (Citta et al. 2018). However, the multi-decadal output from the CESM Large Ensemble yielded unrealistic forcing. Instead, the shorter NCEP CFSv2 9-month forecasts were successfully tested and afforded an increased ensemble size (~30) to demonstrate gains of dynamical downscaling at sub-seasonal to intra-annual time scales. The improved model physics and coupling among RASM model components have yielded more realistic representation of the sea ice cover and consistent across all model components initial conditions. Consequently, RASM demonstrates significant gains compared to simulation of sea ice in the NCEP reanalysis. In addition, RASM 6-month ensemble forecasts yield very realistic sea ice distribution, which demonstrates both significant gains of dynamical downscaling and the continued impact of the initial conditions on forecasts out to 6 months (https://nps.edu/web/rasm/predictions). A follow up study using RASM for dynamical downscaling of the more realistic CESM initialized Decadal Prediction Large Ensemble output is currently ongoing as part of the DOE RGMA HiLAT-RASM project.

54 ENVIRONMENTAL SCIENCES↗

Telemetry handling on the Space Station data management system

This paper examines the impact of telemetry handling on the design of the onboard networks that are part of the Space Station Data Management System (DMS). An architectural approach to satisfying the DMS requirement for support of the high throughput needed for telemetry transport and for servicing distributed computer systems is discussed. Several of the functionality vs. performance tradeoffs that must be made in developing an optimized mechanism for handling telemetry data in the DMS are considered.

Whitelaw, Virginia A.↗

Towards the formal verification of the requirements and design of a processor interface unit: HOL listings

This technical report contains the Higher-Order Logic (HOL) listings of the partial verification of the requirements and design for a commercially developed processor interface unit (PIU). The PIU is an interface chip performing memory interface, bus interface, and additional support services for a commercial microprocessor within a fault tolerant computer system. This system, the Fault Tolerant Embedded Processor (FTEP), is targeted towards applications in avionics and space requiring extremely high levels of mission reliability, extended maintenance-free operation, or both. This report contains the actual HOL listings of the PIU verification as it currently exists. Section two of this report contains general-purpose HOL theories and definitions that support the PIU verification. These include arithmetic theories dealing with inequalities and associativity, and a collection of tactics used in the PIU proofs. Section three contains the HOL listings for the completed PIU design verification. Section 4 contains the HOL listings for the partial requirements verification of the P-Port.

Fura, David A.↗

Human Motion Tracking and Glove-Based User Interfaces for Virtual Environments in ANVIL

The Army/NASA Virtual Innovations Laboratory (ANVIL) at Marshall Space Flight Center (MSFC) provides an environment where engineers and other personnel can investigate novel applications of computer simulation and Virtual Reality (VR) technologies. Among the many hardware and software resources in ANVIL are several high-performance Silicon Graphics computer systems and a number of commercial software packages, such as Division MockUp by Parametric Technology Corporation (PTC) and Jack by Unigraphics Solutions, Inc. These hardware and software platforms are used in conjunction with various VR peripheral I/O (input / output) devices, CAD (computer aided design) models, etc. to support the objectives of the MSFC Engineering Systems Department/Systems Engineering Support Group (ED42) by studying engineering designs, chiefly from the standpoint of human factors and ergonomics. One of the more time-consuming tasks facing ANVIL personnel involves the testing and evaluation of peripheral I/O devices and the integration of new devices with existing hardware and software platforms. Another important challenge is the development of innovative user interfaces to allow efficient, intuitive interaction between simulation users and the virtual environments they are investigating. As part of his Summer Faculty Fellowship, the author was tasked with verifying the operation of some recently acquired peripheral interface devices and developing new, easy-to-use interfaces that could be used with existing VR hardware and software to better support ANVIL projects.

Joseph D. Dumas, II↗