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NASA NTRS1971

Dynamics of plane stellar systems.

The evolution of initially balanced rotating disks of stars is investigated with a computer model for isolated disks of stars. An isolated, initially cold balanced disk is found to be violently unstable. Adding a sufficient amount of velocity dispersion will stabilize all small-scale disturbances. However, the disks are still unstable against slowly growing long wave-length modes and after about two rotations most disks tend to assume a bar-shaped structure. It is found that the final mass distribution over most of the disk can be closely approximated by an exponential variation, irrespective of the initial mass distribution. The gravitational two-stream instability is investigated by means of a modified computer model for infinite doubly periodic stellar systems.

Hohl, F.↗

NASA NTRS1972

Dynamics of plane stellar systems.

Hohl, F.↗

DOE OSTI2020

Volume I. Introduction to DUNE

The preponderance of matter over antimatter in the early universe, the dynamics of the supernovae that produced the heavy elements necessary for life, and whether protons eventually decay -- these mysteries at the forefront of particle physics and astrophysics are key to understanding the early evolution of our universe, its current state, and its eventual fate. The Deep Underground Neutrino Experiment (DUNE) is an international world-class experiment dedicated to addressing these questions as it searches for leptonic charge-parity symmetry violation, stands ready to capture supernova neutrino bursts, and seeks to observe nucleon decay as a signature of a grand unified theory underlying the standard model. The DUNE far detector technical design report (TDR) describes the DUNE physics program and the technical designs of the single- and dual-phase DUNE liquid argon TPC far detector modules. This TDR is intended to justify the technical choices for the far detector that flow down from the high-level physics goals through requirements at all levels of the Project. Volume I contains an executive summary that introduces the DUNE science program, the far detector and the strategy for its modular designs, and the organization and management of the Project. The remainder of Volume I provides more detail on the science program that drives the choice of detector technologies and on the technologies themselves. It also introduces the designs for the DUNE near detector and the DUNE computing model, for which DUNE is planning design reports. Volume II of this TDR describes DUNE's physics program in detail. Volume III describes the technical coordination required for the far detector design, construction, installation, and integration, and its organizational structure. Volume IV describes the single-phase far detector technology. A planned Volume V will describe the dual-phase technology.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1992

A comparison between theoretical prediction and experimental measurement of the dynamic behavior of spur gears

A comparison was made between computer model predictions of gear dynamics behavior and experimental results. The experimental data were derived from the NASA gear noise rig, which was used to record dynamic tooth loads and vibration. The experimental results were compared with predictions from the DSTO Aeronautical Research Laboratory's gear dynamics code for a matrix of 28 load speed points. At high torque the peak dynamic load predictions agree with the experimental results with an average error of 5 percent in the speed range 800 to 6000 rpm. Tooth separation (or bounce), which was observed in the experimental data for light torque, high speed conditions, was simulated by the computer model. The model was also successful in simulating the degree of load sharing between gear teeth in the multiple tooth contact region.

Rebbechi, Brian↗

NASA NTRS1999

Computer Analysis of Spectrum Anomaly in 32-GHz Traveling-Wave Tube for Cassini Mission

Computer modeling of the 32-GHz traveling-wave tube (TWT) for the Cassini Mission was conducted to explain the anomaly observed in the spectrum analysis of one of the flight-model tubes. The analysis indicated that the effect, manifested as a weak signal in the neighborhood of 35 GHz, was an intermodulation product of the 32-GHz drive signal with a 66.9-GHz oscillation induced by coupling to the second harmonic'signal. The oscillation occurred only at low- radiofrequency (RF) drive power levels that are not expected during the Cassini Mission. The conclusion was that the anomaly was caused by a generic defect inadvertently incorporated in the geometric design of the slow-wave circuit and that it would not change as the TWT aged. The most probable effect of aging on tube performance would be a reduction in the electron beam current. The computer modeling indicated that although not likely to occur within the mission lifetime, a reduction in beam current would reduce or eliminate the anomaly but would do so at the cost of reduced RF output power.

Dayton, James A., Jr.↗

NASA NTRSDate not supplied

Mars Sample Return Earth Entry System Woven Roughness Mach 6 Aeroheating Test

The Mars Sample Return Earth Entry System is the first entry vehicle designed for a NASA flagship mission to utilize a woven thermal protection system as well as a 52.5 degree sphere cone forebody geometry. As a result, no heritage aeroheating experimental data set exists to compare with computational predictions. In order to obtain a set of validation data for computational models, an extensive wind tunnel test campaign was funded by the Mars Sample Return Earth Entry System project. The first entry in the test campaign was completed in April of 2023, which was an investigation of turbulent heating augmentation due to woven thermal protection system roughness on the 52.5 degree Mars Sample Return - Earth Entry System vehicle forebody geometry. This test entry produced the first ever experimental aeroheating data on a 52.5 degree sphere-cone geometry as well as the first NASA experimental aeroheating data on a woven surface roughness pattern. Data obtained from this test campaign is being directly leveraged to support the NASA flight program, as experimental results are being utilized to validate the computational models which characterize the aeroheating environment that the vehicle experiences and predict turbulent surface heating levels and margins across the woven surface.

Jonathan S Cheatwood↗

NASA NTRSDate not supplied

Mars Sample Return Earth Entry System Woven Roughness Mach 6 Aeroheating Test

The Mars Sample Return Earth Entry System is the first entry vehicle designed for a NASA flagship mission to utilize a woven thermal protection system as well as a 52.5 degree sphere cone forebody geometry. As a result, no heritage aeroheating experimental data set exists to compare with computational predictions. In order to obtain a set of validation data for computational models, an extensive wind tunnel test campaign was funded by the Mars Sample Return Earth Entry System project. The first entry in the test campaign was completed in April of 2023, which was an investigation of turbulent heating augmentation due to woven thermal protection system roughness on the 52.5 degree Mars Sample Return - Earth Entry System vehicle forebody geometry. This test entry produced the first ever experimental aeroheating data on a 52.5 deg sphere-cone geometry as well as the first NASA experimental aeroheating data on a woven surface roughness pattern. Data obtained from this test campaign is being directly leveraged to support the NASA flight program, as experimental results are being utilized to validate the computational models which characterize the aeroheating environment that the vehicle experiences and predict turbulent surface heating levels and margins across the woven surface.

Jonathan Cheatwood↗

NASA NTRS1989

Lunar landing and launch facilities (Complex 39L): Guidance systems and propellant systems

After a general, overall definition of Complex 39L during the previous two years, the 1988-89 projects were chosen to focus on more specific aspects, specifically, guidance systems and propellant systems. Six teams or subtasks were formulated: cascade refrigeration for boil-off recovery of cryogenic storage vessels; lunar ground-based radar system to track space vehicles; microwave altimeter for spacecraft; development of a computational model for the determination of lunar surface and sub-surface temperatures; lunar cryogenic facility for the storage of fuels; and lunar lander fuel inventory tent for the storage of cryogenic vessels. At the present time, a cascade refrigeration system for a cryogenic boil-off recovery system has been designed. This is to serve as a baseline system. The ground-based tracking system uses existing technology to implement a reliable tracking radar for use on the lunar surface. A prototype has been constructed. The microwave altimeter is for use on lunar landers. It makes use of the Doppler effect to measure both altitude and the vertical velocity component of the spacecraft. A prototype has been constructed. A computational model that predicts the spatial and temporal temperature profiles of the lunar subsurface was formulated. Propellant storage vessels have been designed. A support for these vessels which minimizes heat leaks was also designed. Further work on the details of the Fuel Inventory Tent (FIT) was performed. While much design work on the overall Complex 39L remains to be done, significant new work has been performed in the subject areas.

Source record↗

NASA NTRS2007

Integrating Human Factors into Crew Exploration Vehicle Design

With NASA's new Vision for Exploration to send humans beyond Earth orbit, it is critical to consider the human as a system that demands early and continuous user involvement, and an iterative prototype/test/redesign process. Addressing human-system interface issues early on can be very cost effective even cost reducing when performed early in the design and development cycle. To achieve this goal within Crew Exploration Vehicle (CEV) Project Office, human engineering (HE) team is formed. Key tasks are to apply HE requirements and guidelines to hardware/software, and provide HE design, analysis and evaluation of crew interfaces. Initial activities included many practice-orientated evaluations using low-fidelity CEV mock-ups. What follows is a description of such evaluations that focused on a HE requirement regarding Net Habitable Volume (NHV). NHV is defined as the total remaining pressurized volume available to on-orbit crew after accounting for the loss of volume due to deployed hardware and structural inefficiencies which decrease functional volume. The goal of the NHV evaluations was to develop requirements providing sufficient CEV NHV for crewmembers to live and perform tasks in support of mission goals. Efforts included development of a standard NHV calculation method using computer models and physical mockups, and crew/ stakeholder evaluations. Nine stakeholders and ten crewmembers participated in the unsuited evaluations. Six crewmembers also participated in a suited evaluation. The mock-up was outfitted with volumetric representation of sub-systems such as seats, and stowage bags. Thirteen scenarios were developed to represent mission/crew tasks and considered to be primary volume drivers (e.g., suit donning) for the CEV. Unsuited evaluations included a structured walkthrough of these tasks. Suited evaluations included timed donning of the existing launch and entry suit to simulate a contingency scenario followed by doffing/ stowing of the suits. All mockup evaluations were videotaped. Structured questionnaires were used to document user interface issues and volume impacts of layout configuration. Computer model and physical measures of the NHV agreed within 1 percent. This included measurement of the gross habitable volume, subtraction of intrusive volumes, and other non-habitable spaces. Calculation method developed was validated as a standard means of measuring NHV, and was recommended as a verification method for the NHV requirements. Evaluations confirmed that there was adequate volume for unsuited scenarios and suit donning/ doffing activity. Seats, suit design stowage and waste hygiene system noted to be critical volume drivers. The low-fidelity mock-up evaluations along with human modeling analysis generated discussions that will lead to high-level systems requirements and human-centered design decisions. This approach allowed HE requirements and operational concepts to evolve in parallel with engineering system concepts and design requirements. As the CEV design matures, these evaluations will continue and help with design decisions, and assessment, verification and validation of HE requirements.

Whitmore, Mihriban↗

DOE OSTI2020

Metal Organic Frameworks for Xenon Storage Applications

The demand for cheap and convenient xenon storage continues to rise due to its wide spectrum of applications. It is expected that solid-state adsorbents can provide significant advantages over the current isolated stainless-steel tank-based storage technologies. In this context, we investigated metal organic frameworks for use as adsorbents for xenon. Initially, three representative MOFs were synthesized and characterized in terms of Xe storage. The results were used to validate a computational modeling approach, which was later extended to a larger set of materials. The collected results allowed us to rationalize the key parameters (pore volume, surface area, void fraction etc.), which are important for good performance and selection of the best materials for xenon storage

Noble gas, Storage, MOFs↗

DOE OSTI2026

Biomanufacturing and Scale-Up: Pathways to Biochemicals, Biofuels, and Biomaterials

Advancing the bioeconomy requires the development of large-scale microbial bioprocesses capable of converting waste carbon streams into biofuels, biochemicals, and biomaterials at industrially relevant scales. While biomanufacturing has been successfully demonstrated at the laboratory scale for a wide range of chemicals, only a few have reached industrial-scale production. This is partly due to the inherent complexity of microbial systems, which rely on living cells with intricate metabolic pathways that are highly sensitive to environmental changes, making large-scale production difficult to optimize and predict. As a result, scaling-up bioprocesses remains a high-stakes challenge that requires deeper exploration. This involves integrating feedstock and microbial selection, upstream and downstream processes, and computational modelling, among other research efforts. Bulk and specialty chemicals derived from biological processes also face competition from fossil-based production routes, which have been refined through decades of technological advancements. While biologically derived molecules may offer more environmentally friendly production pathways than traditional chemical manufacturing, their widespread adoption depends on achieving cost parity-or superiority-relative to fossil-based methods. This emphasizes the importance of holistic research, including techno-economic analyses and life cycle assessments, to ensure both economic viability and environmental sustainability. This editorial and special issue explores state-of-the-art strategies for converting waste carbon sources into valuable products. It discusses how enzymes, single microbes (e.g., extremophiles), and microbiomes (e.g., through division of labor) can be integrated with upstream and downstream process innovations-such as consolidated bioprocessing and in situ product recovery-to improve the efficiency and scalability of biomanufacturing. The editorial further highlights the role of computational modelling in understanding, predicting, and controlling bioprocess performance across scales, and concludes by emphasizing the importance of techno-economic modelling to identify technologies that can move to market.

09 BIOMASS FUELS↗

DOE OSTI2021

Atomic Layer Deposition with TiO2 for Enhanced Reactivity and Stability of Aromatic Hydrogenation Catalysts

Hydrogenation of aromatic molecules in fossil- and bio-derived fuels is essential for decreasing emissions of harmful combustion products and addressing growing concerns around urban air pollution. In this work, we used atomic layer deposition to significantly enhance the hydrogenation performance of a conventional supported Pd catalyst by applying an ultrathin coating of TiO2 in a scalable powder coating process. The TiO2-coated catalyst showed substantial gains in the conversion of multiple aromatic molecules, including a 5-fold improvement in turnover frequency versus the uncoated catalyst in the hydrogenation of naphthalene. This activity enhancement was maintained upon scaling the coating synthesis process from 3 to 100 g. Based on the results from Xray photoelectron spectroscopy, X-ray absorption spectroscopy, and computational modeling, the activity enhancement was attributed to ensemble effects resulting from partial TiO2 coverage of the Pd surface rather than fundamental changes to the Pd electronic structure. Additional durability testing confirmed that the TiO2 coating improved the thermal and hydrothermal stability of the catalyst as well as tolerance toward sulfur impurities in the reactant stream. Using an economic model of an industrial deep hydrogenation process, we found that an increase in catalyst activity or lifetime of 2× would justify even a relatively high estimate for the cost of TiO2 atomic layer deposition coatings at scale

atomic layer↗

DOE OSTI2024

Toward High-Throughput Deposition of III-V Materials and Devices Using Halide Vapor Phase Epitaxy: Preprint

III-V devices are used in countless applications due to their excellent physical properties. They could become more prevalent, especially in area-intensive applications such as solar power, if they can achieve significant cost decreases through increasing scale. The development of high-throughput growth systems can help to achieve this scale, leading to the use of III-V devices in areas where they are not currently economically feasible. Here, we describe a pilot production, pseudo inline HVPE reactor with the potential to greatly increase the throughput of III-V devices. We show computational modeling results that both informed system design and the understanding of the impact of different process parameters on the deposition. We show the throughput possibilities of this reactor with an example solar cell device design but note that this system is agnostic to the device structure and can be used to increase the throughput of lasers, LEDs, transistors, and more III-V devices.

high throughput↗

DOE OSTI2026

Frameworks, Algorithms, and Scalable Technologies for Mathematics (FASTMath) SciDAC Institute

As computational models scale to larger computers, the rate at which they produce data has far outstripped the same computers ability to write that data and further the file systems ability to store that data. Almost all of the SciDAC applications, but especially those related to fusion solve very large scale PDEs whose scientific output his impacted by this problem. To gain access to dynamics in an exascale simulation that are not identifiable a priori and to make that dynamical data available to machine learning requires fundamental research in the area of in situ data data analytics. Here data analytics includes compression, visualization, uncertainty quantification, and machine learning. This in situ data analytics will enable on-the-fly spatial and temporal compression of solution dynamics, expose that space-time compressed field to machine learning algorithms that have been specialized to work with dynamically evolving data (existing machine learning algorithms treat data sets as static), greatly improving the opportunity for machine learning to provide feedback to the compression, all within an ongoing simulation, without the need to write data to files. The same concepts are also being applied to uncertainty quantification and multi-fidelity modeling which have similar needs for spatial and temporal compression of the ongoing exascale simulation to perform either without the typical, unacceptable writing of data to files.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2020

Credible practice of modeling and simulation in healthcare: ten rules from a multidisciplinary perspective

The complexities of modern biomedicine are rapidly increasing. Thus, modeling and simulation have become increasingly important as a strategy to understand and predict the trajectory of pathophysiology, disease genesis, and disease spread in support of clinical and policy decisions. In such cases, inappropriate or ill-placed trust in the model and simulation outcomes may result in negative outcomes, and hence illustrate the need to formalize the execution and communication of modeling and simulation practices. Although verification and validation have been generally accepted as significant components of a model’s credibility, they cannot be assumed to equate to a holistic credible practice, which includes activities that can impact comprehension and in-depth examination inherent in the devel-opment and reuse of the models. For the past several years, the Committee on Credible Practice of Modeling and Simulation in Healthcare, an interdisciplinary group seeded from a U.S. interagency initiative, has worked to codify best practices. Here, we provide Ten Rules for credible practice of modeling and simulation in healthcare developed from a comparative analysis by the Committee’s multidisciplinary membership, followed by a large stakeholder com-munity survey. These rules establish a unified conceptual framework for modeling and simulation design, implementation, evaluation, dissemination and usage across the modeling and simulation life-cycle. While biomedical science and clinical care domains have somewhat different requirements and expectations for credible practice, our study converged on rules that would be useful across a broad swath of model types. In brief, the rules are: (1) Define context clearly. (2) Use contextually appropriate data. (3) Evaluate within context. (4) List limitations explicitly. (5) Use version control. (6) Document appropriately. (7) Disseminate broadly. (8) Get independent reviews. (9) Test competing imple-mentations. (10) Conform to standards. Although some of these are common sense guidelines, we have found that many are often missed or misconstrued, even by seasoned practitioners. Computational models are already widely used in basic science to generate new biomedical knowledge. As they penetrate clinical care and healthcare policy, contributing to personalized and precision medicine, clinical safety will require established guidelines for the credible practice of modeling and simulation in healthcare.

Credibility↗

NASA NTRS2012

Large Scale Experiments on Spacecraft Fire Safety

Full scale fire testing complemented by computer modelling has provided significant knowhow about the risk, prevention and suppression of fire in terrestrial systems (cars, ships, planes, buildings, mines, and tunnels). In comparison, no such testing has been carried out for manned spacecraft due to the complexity, cost and risk associated with operating a long duration fire safety experiment of a relevant size in microgravity. Therefore, there is currently a gap in knowledge of fire behaviour in spacecraft. The entire body of low-gravity fire research has either been conducted in short duration ground-based microgravity facilities or has been limited to very small fuel samples. Still, the work conducted to date has shown that fire behaviour in low-gravity is very different from that in normal gravity, with differences observed for flammability limits, ignition delay, flame spread behaviour, flame colour and flame structure. As a result, the prediction of the behaviour of fires in reduced gravity is at present not validated. To address this gap in knowledge, a collaborative international project, Spacecraft Fire Safety, has been established with its cornerstone being the development of an experiment (Fire Safety 1) to be conducted on an ISS resupply vehicle, such as the Automated Transfer Vehicle (ATV) or Orbital Cygnus after it leaves the ISS and before it enters the atmosphere. A computer modelling effort will complement the experimental effort. Although the experiment will need to meet rigorous safety requirements to ensure the carrier vehicle does not sustain damage, the absence of a crew removes the need for strict containment of combustion products. This will facilitate the possibility of examining fire behaviour on a scale that is relevant to spacecraft fire safety and will provide unique data for fire model validation. This unprecedented opportunity will expand the understanding of the fundamentals of fire behaviour in spacecraft. The experiment is being developed by an international topical team that is collaboratively defining the experiment requirements and performing supporting analysis, experimentation and technology development. This paper presents the objectives, status and concept of this project.

Urban, David↗

NASA NTRS2012

Large Scale Experiments on Spacecraft Fire Safety

Full scale fire testing complemented by computer modelling has provided significant know how about the risk, prevention and suppression of fire in terrestrial systems (cars, ships, planes, buildings, mines, and tunnels). In comparison, no such testing has been carried out for manned spacecraft due to the complexity, cost and risk associated with operating a long duration fire safety experiment of a relevant size in microgravity. Therefore, there is currently a gap in knowledge of fire behaviour in spacecraft. The entire body of low-gravity fire research has either been conducted in short duration ground-based microgravity facilities or has been limited to very small fuel samples. Still, the work conducted to date has shown that fire behaviour in low-gravity is very different from that in normal-gravity, with differences observed for flammability limits, ignition delay, flame spread behaviour, flame colour and flame structure. As a result, the prediction of the behaviour of fires in reduced gravity is at present not validated. To address this gap in knowledge, a collaborative international project, Spacecraft Fire Safety, has been established with its cornerstone being the development of an experiment (Fire Safety 1) to be conducted on an ISS resupply vehicle, such as the Automated Transfer Vehicle (ATV) or Orbital Cygnus after it leaves the ISS and before it enters the atmosphere. A computer modelling effort will complement the experimental effort. Although the experiment will need to meet rigorous safety requirements to ensure the carrier vehicle does not sustain damage, the absence of a crew removes the need for strict containment of combustion products. This will facilitate the possibility of examining fire behaviour on a scale that is relevant to spacecraft fire safety and will provide unique data for fire model validation. This unprecedented opportunity will expand the understanding of the fundamentals of fire behaviour in spacecraft. The experiment is being developed by an international topical team that is collaboratively defining the experiment requirements and performing supporting analysis, experimentation and technology development. This paper presents the objectives, status and concept of this project.

Urban, David L.↗

NASA NTRS2004

Multipurpose Crew Restraints for Long Duration Space Flights

With permanent human presence onboard the International Space Station (ISS), a crew will be living and working in microgravity, interfacing with their physical environment. Without optimum restraints and mobility aids (R&MA' s), the crewmembers may be handicapped for perfonning some of the on-orbit tasks. In addition to weightlessness, the confined nature of a spacecraft environment results in ergonomic challenges such as limited visibility and access to the activity area and may cause prolonged periods of unnatural postures. Thus, determining the right set of human factors requirements and providing an ergonomically designed environment are crucial to astronauts' well-being and productivity. The purpose of this project is to develop requirements and guidelines, and conceptual designs, for an ergonomically designed multi-purpose crew restraint. In order to achieve this goal, the project would involve development of functional and human factors requirements, design concept prototype development, analytical and computer modeling evaluations of concepts, two sets of micro gravity evaluations and preparation of an implementation plan. It is anticipated that developing functional and design requirements for a multi-purpose restraint would facilitate development of ergonomically designed restraints to accommodate the off-nominal but repetitive tasks, and minimize the performance degradation due to lack of optimum setup for onboard task performance. In addition, development of an ergonomically designed restraint concept prototype would allow verification and validation of the requirements defined. To date, we have identified "unique" tasks and areas of need, determine characteristics of "ideal" restraints, and solicit ideas for restraint and mobility aid concepts. Focus group meetings with representatives from training, safety, crew, human factors, engineering, payload developers, and analog environment representatives were key to assist in the development of a restraint concept based on previous flight experiences, the needs of future tasks, and crewmembers' preferences. Also, a catalog with existing IVA/EVA restraint and mobility aids has been developed. Other efforts included the ISS crew debrief data on restraints, compilation of data from MIR, Skylab and ISS on restraints, and investigating possibility of an in-flight evaluation of current restraint systems. Preliminary restraint concepts were developed and presented to long duration crewmembers and focus groups for feedback. Currently, a selection criterion is being refined for prioritizing the candidate concepts. Next steps include analytical and computer modeling evaluations of the selected candidate concepts, prototype development, and microgravity evaluations.

Whitmore, Mihriban↗