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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

On the integration of molecular dynamics, data science, and experiments for studying solvent effects on catalysis

Computational workflows that combine molecular dynamics (MD) simulations and emerging data-centric (DC) methods can accelerate the screening and analysis of solvent systems experimentally and computationally. Here, MD simulations provide atomic positions and velocities of reactant, solvent, and catalyst materials that can be manipulated into data representations that in turn can be used by DC techniques to conduct predictive modeling, feature extraction, and experimental design. For liquid-phase catalytic applications, emerging DC techniques such as Convolutional and Graph Neural Networks (CNN/GNN), Topological Data Analysis (TDA), and Active Learning (AL) can leverage MD and experimental data to quickly predict solvent effects on reaction outcomes. For instance, in recent studies, 3D solvent environments obtained with MD have been exploited by CNNs to predict experimental reaction rates for homogeneous acid-catalyzed lignocellulosic processes. In this perspective, we discuss basic principles of DC methods and how these can be combined with MD to enable high-throughput screening of solvent selection for diverse catalysis applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Quantifying transport and electrocatalytic reaction processes in a gastight rotating cylinder electrode reactor via integration of Computational Fluid Dynamics modeling and experiments

Understanding the complexity of the multiple processes of mass, momentum, charge, and heat transport, and how these affect reaction kinetics at the electrode/electrolyte interface is one of the major challenges in the field of energy and catalysis. The rapid and rational scale-up of electrocatalytic systems to industrial scales require a detailed understanding of nonlinear transport-reaction processes, accessible only through the building of multi-physics models that capture with high fidelity the complexity of real-world devices. The gastight rotating cylinder electrode (RCE) reactor is a promising lab-scale tool that can decouple transport from intrinsic kinetics to generate data for first-principle models useful in the design of industrial, electrochemical reactors. Computational Fluid Dynamics (CFD) studies have previously been used to investigate the bulk flow in RCE reactors for simple corrosion and electroplating processes. However, the quantification of changes in local concentration within the viscous layer where catalysis takes place requires capturing the correct flow conditions inside the hydrodynamic boundary layer near the surface of the electrode. Further, this requires simulations with spatial resolution in the nm and μm scale and temporal resolutions between ms and s scales that are similar to the timescales for reactions on the electrode surface. In this study, experimental electrocatalysis is combined with CFD modeling to elucidate and parameterize the hydrodynamics in a gastight RCE reactor. CFD simulations of the electrochemical ferricyanide reduction reaction under mass transport limited conditions are used to evaluate the validity of the CFD model parameters by comparing calculated dimensionless mass transport descriptors to dimensionless correlations obtained experimentally. Justifications for assumptions and details of the simulation methods used in this study are presented to provide a detailed understanding of the effect that each model parameter has on the ability to accurately simulate electrocatalysis in RCE systems. The simulation methodology reported here is a first step towards the development of multi-scale models for the study of transport dependent electrocatalytic processes, such as the electrochemical transformation of CO 2 to fuels and chemicals.

42 ENGINEERING↗
NASA NTRS1977

Experiments for improved positioning by means of integrated Doppler satellite observations and the NNSS broadcast ephemeris

An effort to improve station position recovery using broadcast ephemeris in Doppler data reduction was studied. A comparison of precise and broadcast ephemerides, treating the former as the standard, yielded information about the state disturbance that can be associated with the broadcast ephemeris. Statistical information about the state disturbance was used with current observational data for improved position recovery. The rank deficiency problem encountered in the short arc geodetic adjustment procedure was analysed and it was deduced that the fundamental rank deficiency is six, scale information being derivable from the wavelength of transmission. Coordinate differences between stations coobserving a pass are estimable. The uncertainty of the broadcast ephemeris, now in the WGS72 system, was assessed. It was conservatively estimated that its positional uncertainty may vary between 19 to 26 m in-track, 15 to 20 m cross-track and 9 to 10 m in radial directions depending on the incidence of the epoch of observations in the interinjection period.

Arur, M. G.↗
NASA NTRS1988

Summary of Payload Integration Plan (PIP) for Starlab-1 flight experiment, enclosure 3

The objectives of the Autogenic Feedback Training (AFT) are to: determine if preflight AFT is an effective treatment for space adaptation syndrome (SAS); determine if preflight improvements in motion sickness tolerance can be used to predict crewmembers' success in controlling symptoms in flight; and identify differences and similarities between the physiological data from preflight motion sickness tests and data collected during symptom episodes in space. The goal is to test the AFT on 8 trained and 8 control subjects. At present 2 trained and 2 contol subjects were tested. The testing will continue until the experimental goal of testing 16 individual is reached.

Cowings, Patricia S.↗
NASA NTRS1991

Integrated adaptive filtering and design for control experiments of flexible structures

A novel method is presented of identifying a state space model and a state estimator for linear stochastic systems from input and output data. The method is primarily based on the relations between the state space model and the finite difference model for linear stochastic systems derived through projection filters. It is proven that least squares identification of a finite difference model converges to the model derived from the projection filters. System pulse response samples are computed from the coefficients of the finite difference model. In estimating the corresponding state estimator gain, a z-domain method is used. First the deterministic component of the output is subtracted out, and then the state estimator gain is obtained by whitening the remaining signal. Experimental example is used to illustrate the feasibility of the method.

Huang, Jen-Kuang↗
NASA NTRS1992

Full Service ISDN Satellite (FSIS) network model for advanced ISDN satellite design and experiments

The Full Service Integrated Services Digital Network (FSIS) network model for advanced satellite designs describes a model suitable for discrete event simulations. A top down model design uses the Advanced Communications Technology Satellite (ACTS) as its basis. The ACTS and the Interim Service ISDN Satellite (ISIS) perform ISDN protocol analyses and switching decisions in the terrestrial domain, whereas FSIS makes all its analyses and decisions on-board the ISDN satellite.

Pepin, Gerard R.↗
DOE OSTI2025

Data-Enabled Fusion Technology (Final Scientific/Technical Report)

Advancing Scientific Understanding in Fusion Energy and Machine Learning This research represented a significant step forward in machine learning (ML) applications for fusion energy experiments. The project integrated advanced data-driven modeling, optimization techniques, and artificial intelligence to enhance the predictive capabilities and operational efficiency of plasma-based fusion systems. Specifically, tasks focused on ML-enhanced diagnostics, operator guidance tools, and predictive modeling helped improve the ability to interpret complex fusion experiments. Key areas of advancement included: 1) data-driven plasma control, i.e., using ML algorithms to optimize experimental conditions and classify plasma behaviors based on historical data; 2) spectroscopy and diagnostics, i.e., applying AI models to extract previously inaccessible insights from experimental spectroscopy data; and 3) configuration mapping and operator guidance, i.e., developing a predictive framework to assist scientists in identifying the most effective experimental parameters, reducing reliance on manual adjustments. By refining these ML-driven techniques, the project contributed to the broader scientific community’s understanding of plasma dynamics and fusion energy viability. Technical Effectiveness and Economic Feasibility The methods investigated demonstrated high technical effectiveness, as reflected in milestones assessing the predictive accuracy, performance, and optimization of fusion configurations. The development of an Operator Guidance Tool (OGT), for example, led to more precise control of plasma conditions by learning from experimental data and offering real-time adjustments. From an economic standpoint, DeFT provided: 1) the ability to reduce trial-and-error experimentation, which lowered operational costs; 2) improved data interpretation methods, which enabled more efficient resource allocation in large-scale fusion research projects; and 3) the automation of key diagnostic tasks, which reduced manual labor and human error, increasing overall efficiency. 13 The final assessments of predictive models and optimization strategies demonstrated that these approaches were scalable and could be implemented across multiple fusion energy research programs. Public Benefit and Societal Impact This project contributed directly to the broader goal of achieving sustainable and commercially viable fusion energy, which had profound implications for clean energy production and climate change mitigation. The integration of AI-driven solutions into fusion research: 1) sped up scientific discovery, accelerating progress towards achieving energy breakthroughs; 2) reduced the cost of experimentation, making fusion research more accessible; and 3) provided a framework for future AI applications in high-energy physics, benefiting adjacent fields like space exploration, material science, and renewable energy. Additionally, by fostering collaborations between AI researchers and plasma physicists, this project promoted interdisciplinary innovation that could lead to broader applications beyond fusion research.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1975

The Concept Verification Testing of a materials science payload

The Concept Verification Testing (CVT) project at the Marshall Space Flight Center, Alabama is a developmental activity that supports Shuttle Payload projects such as Spacelab. It provides an operational one-g environment for testing NASA and other agency experiment and support systems concepts that may be used in Shuttle. A dedicated Materials Science Payload was tested in the General Purpose Laboratory (GPL) in December 1974 in order to assess the requirements of a Space Processing payload on a Spacelab type facility. Physical and functional integration of the experiments into the facility was studied, and the impact of the experiments on the facility (and vice versa) was evaluated. The Principal Investigators (PI) who had proposed experiments were onboard and in a consulting status on the ground. The significant results of the week-long simulation will be discussed.

Griner, C. S.↗
NASA NTRS2012

OpTIIX: An ISS-Based Testbed Paving the Roadmap Toward a Next Generation Large Aperture UV/Optical Space Telescope

The next generation large aperture UV/Optical space telescope will need a diameter substantially larger than even that of JWST in order to address some of the most compelling unanswered scientific quests. These quests include understanding the earliest phases of the Universe and detecting life on exo-planets by studying spectra of their atmospheres. Such 8-16 meter telescopes face severe challenges in terms of cost and complexity and are unlikely to be affordable unless a new paradigm is adopted for their design and construction. The conventional approach is to use monolithic or preassembled segmented mirrors requiring complicated and risky deployments and relying on future heavy-lift vehicles, large fairings and complex geometry. The new paradigm is to launch component modules on relatively small vehicles and then perform in-orbit robotic assembly of those modules. The Optical Testbed and Integration on ISS eXperiment (OpTIIX) is designed to demonstrate, at low cost by leveraging the infrastructure provided by ISS, telescope assembly technologies and end-to-end optical system technologies. The use of ISS as a testbed permits the concentration of resources on reducing the technical risks associated with robotically integrating the components. These include laser metrology and wavefront sensing and control (WFS&C) systems, an imaging instrument, lightweight, low-cost deformable primary mirror segments and the secondary mirror. These elements are then aligned to a diffraction-limited optical system in space. The capability to assemble the optical system and remove and replace components via the existing ISS robotic systems like the Special Purpose Dexterous Manipulator (SPDM), or by the ISS flight crew, allows for future experimentation, as well as repair.

Carpenter, Kenneth G.↗
NASA NTRS2007

Integration and Testing Challenges of Small, Multiple Satellite Missions: Experiences from the Space Technology 5 Project

The ST5 payload, part of NASA s New Millennium Program headquartered at JPL, consisted of three micro satellites (approx. 30 kg each) deployed into orbit from the Pegasus XL launch. ST5 was a technology demonstration mission, intended to test new technologies for potential use for future missions. In order to meet the launch date schedule of ST 5, a different approach was required rather than the standard I&T approach used for single, room-sized satellites. The I&T phase was planned for spacecraft #1 to undergo integration and test first, followed by spacecraft #2 and #3 in tandem. A team of engineers and technicians planned and executed the integration of all three spacecraft emphasizing versatility and commonality. They increased their knowledge and efficiency through spacecraft #1 integration and testing and utilized their experience and knowledge to safely execute I&T for spacecraft #2 and #3. Each integration team member could perform many different roles and functions and thus better support activities on any of the three spacecraft. The I&T campaign was completed with STS s successful launch on March 22,2006

Sauerwein, Timothy A.↗
DOE OSTI2026

Transient Catalytic Reaction Analysis Through Signal Defragmentation

The Temporal Analysis of Products (TAP) pulse response technique provides valuable insights into catalytic function and reaction kinetics. However, complex fragmentation patterns in the TAP mass spectrometry signals can complicate precise quantification, particularly when analyzing transient gas flux data typical of TAP experiments. This work demonstrates a standard defragmentation method that deconvolves transient TAP signals while maintaining the temporal resolution of the experiment. First, the integrals of calibration gas fluxes are used to determine the fingerprint fragmentation pattern and construct a fragmentation matrix. This matrix is then used to defragment experimental flux data at each recorded time point via a non-negative least squares regression. The effectiveness of this method is demonstrated using virtual data and control experiments with a TAP reactor system. The defragmentation is then applied to the more complex propane dehydrogenation reaction on a chromia/alumina catalyst, which can contain up to ten significant gas species in the reactor outlet. Initial propane pulsing reveals an induction period during which propane is fully oxidized to CO2, followed by partial reduction to CO. Afterwards, there is a transition in chemistries towards coking and propylene production. Our example illustrates a practical method for the accurate determination of the time-dependent reactant/product concentrations and rates for a thorough analysis of the propane dehydrogenation kinetics. This approach can be broadly applied to any transient mass spectrometry experiment for a better understanding of catalyst-reaction dynamics.

36 - MATERIALS SCIENCE↗
DOE OSTI2023

Modeling Hydrodynamic Instabilities, Shocks, and Radiation Waves in High Energy Density Experiments [Dissertation]

This thesis presents the computational design, modeling, and analysis of three experiments in high-energy density physics (HEDP), all of them concerning fundamental radiation flows. The first experiment is a laboratory astrophysics experiment to investigate the role of the Kelvin-Helmholtz instability (KHI) in the process of galactic filaments supplying gas to galactic halos. The achieved goal was to provide a first study in which the role of the instability is maximal and predict behavior in future iterations of an experiment accessing a more radiative regime where the role of the instability is stifled. This experiment would help answer how certain galaxies are able to grow so rapidly and produce many stars as the KHI limits this process. The second experiment, COAX, is a radiation flow experiment with a novel spectroscopy diagnostic configuration, designed to spatially measure the temperature of a radiation wave as it travels down a doped foam. A key result of this work was the development of a synthetic spectroscopy application and application of modern spectroscopy comparison techniques to provide our first temperature reconstructions from the experimental data. This experimental platform serves as the launching ground for a number of new experiments that vary the basic premise and thus is foundational to our ongoing research. The final experiment is a full integration of modeling, design, and theoretical development for the Radishock experiment. This experimental platform studies the head-on collision of a radiation wave with a counter-propagating shock, and like COAX, uses spectroscopy to diagnose and detect the interaction. My research analyzes the successful shots, indicating aspects of successful detections and suggests improvements to future iterations of the design.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Beam Commissioning and Integrated Test of the PIP-II Injector Test Facility

The PIP-II Injector Test (PIP2IT) facility is a near-complete low energy portion of the Superconducting PIP-II linac driver. PIP2IT comprises the warm front end and the first two PIP-II superconducting cryomodules. PIP2IT is designed to accelerate a 2 mA H⁻ beam to an energy of 20 MeV. The facility serves as a testbed for a number of advanced technologies required to operate PIP-II and provides an opportunity to gain experience with commissioning of the superconducting linac, significantly reducing project technical risks. Some PIP2IT components are contributions from international partners, who also lend their expertise to the accelerator project. The project has been successfully commissioned with the beam in 2021, demonstrating the performance required for the LBNF/DUNE. In this paper, we describe the facility and its critical systems. We discuss our experience with the integrated testing and beam commissioning of PIP2IT, and present commissioning results. This important milestone ushers in a new era at Fermilab of proton beam delivery using superconducting radio-frequency accelerators.

43 PARTICLE ACCELERATORS↗