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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

ParaStell: parametric modeling and neutronics support for stellarator fusion power plants

The three-dimensional variation inherent to stellarator geometries and fusion sources motivates three-dimensional modeling to obtain accurate results from computational modeling in support of design and analysis of first wall, blanket, and shield (FWBS) systems. Manually constructing stellarator fusion power plant geometries in computer-aided design (CAD) and defining the corresponding fusion source can be cumbersome and challenging. The open-source parametric modeling toolset ParaStell has been developed to automate construction of such geometries in low-fidelity. Low-fidelity modeling is useful during the conceptual phase of engineering design as a means of rapidly exploring the design space of a given device. The modeling capability of ParaStell includes in-vessel components and magnets, for any given stellarator configuration, using a parametric definition and plasma equilibrium data. Furthermore, the toolset automates the generation of detailed, tetrahedral neutron source definitions and DAGMC geometries for use in neutronics modeling. ParaStell assists rapid design iteration, parametric study, and design optimization of stellarator fusion cores. As a demonstration of the design iteration capability, the effect of the three-dimensional parameter space on tritium breeding and magnet shielding is investigated, using the WISTELL-D configuration as a design basis. Blanket and shield thicknesses are varied in three dimensions, using the space available between the plasma edge and magnet coils as a constraint. The corresponding effects on tritium breeding ratio and magnet heating are tallied using the open-source Monte Carlo particle transport code OpenMC. The inclusion of additional and higher-fidelity modeling capabilities is planned for ParaStell’s future, as well as its implementation in machine-driven optimization.

Moreno, Connor↗
DOE OSTI2026

Facet-Dependent Water Inhibition of Alkanol Dehydration on TiO2 via Distinct Water–Alkanol Complexes

Water is ubiquitous in biomass-derived feeds, yet its molecular impact on oxygen-elimination reactions remains poorly understood, particularly for catalysts exposing different facets. Here, we utilize well-defined TiO2 nanocrystals with dominant (101) and (001) facets to reveal a pronounced facet-dependent effect of water, where inhibition for dehydration of isopropanol (IPA) on the TiO2(001) surface is about four times more severe than TiO2(101). Through a combination of in situ solid state NMR, in situ infrared spectroscopy, kinetics studies, and theoretical calculations, we demonstrate that this disparity arises from the formation of distinct alkanol-water complex intermediates. On TiO2(001), IPA undergoes dissociative adsorption to form an isopropoxide-H2O complex that readily drives the surface into a complex-dominated regime. This pathway increases the activation barrier for C–H cleavage by 40 kJ mol-1 by inducing a disordered transition state. In contrast, TiO2(101) favors molecular IPA adsorption with weak hydrogen bonding to water, resulting in a smaller complex formation constant and a much smaller activation barrier increase (25 kJ mol-1). By quantitatively linking facet-dependent complex coverage to transition-state destabilization, this work moves beyond simple site-blocking models and provides a conceptual framework for designing catalysts that remain active in water-containing environments

Hu, Wenda↗
DOE OSTI2020

Catalytic bias in oxidation–reduction catalysis

Cataytic bias refers to the propensity of a reaction catalyst to effect a different rate acceleration in one direction versus the other in a chemical reaction under non-equilibrium conditions. In biocatalysis, the inherent bias of an enzyme is often advantagous to augment the innate thermodynamics of a reaction to promote efficiency and fidelity in the coordination of catabolic and anabolic pathways. In industrial chemical catalysis a directional cataltyic bias is a sought after property in facilitating the engineering of systems that couple catalysis with harvest and storage of for example fine chemicals or energy compounds. Interestingly, there is little information about catalytic bias in biocatalysis likely in large part due to difficulties in developing tractible assays sensitive enough to study detailed kinetics. For oxidation–reduction reactions, colorimetric redox indicators exist in a range of reduction potentials to provide a mechanism to study both directions of reactions in a fairly facile manner. The current short review attempts to define catalytic bias conceptually and to develop model systems for defining the parameters that control catalytic bias in enzyme catalyzed oxidation–reduction catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

PSInet: a new global water potential network

Abstract Given the pressing challenges posed by climate change, it is crucial to develop a deeper understanding of the impacts of escalating drought and heat stress on terrestrial ecosystems and the vital services they offer. Soil and plant water potential play a pivotal role in governing the dynamics of water within ecosystems and exert direct control over plant function and mortality risk during periods of ecological stress. However, existing observations of water potential suffer from significant limitations, including their sporadic and discontinuous nature, inconsistent representation of relevant spatio-temporal scales and numerous methodological challenges. These limitations hinder the comprehensive and synthetic research needed to enhance our conceptual understanding and predictive models of plant function and survival under limited moisture availability. In this article, we present PSInet (PSI—for the Greek letter Ψ used to denote water potential), a novel collaborative network of researchers and data, designed to bridge the current critical information gap in water potential data. The primary objectives of PSInet are as follows. (i) Establishing the first openly accessible global database for time series of plant and soil water potential measurements, while providing important linkages with other relevant observation networks. (ii) Fostering an inclusive and diverse collaborative environment for all scientists studying water potential in various stages of their careers. (iii) Standardizing methodologies, processing and interpretation of water potential data through the engagement of a global community of scientists, facilitated by the dissemination of standardized protocols, best practices and early career training opportunities. (iv) Facilitating the use of the PSInet database for synthesizing knowledge and addressing prominent gaps in our understanding of plants’ physiological responses to various environmental stressors. The PSInet initiative is integral to meeting the fundamental research challenge of discerning which plant species will thrive and which will be vulnerable in a world undergoing rapid warming and increasing aridification.

Forestry↗
DOE OSTI2020

Conceptual and Mathematical Foundation for the FE/NETL CO 2 Prophet Model for Simulating CO 2 Enhanced Oil Recovery, Version 2

The United States (U.S.) Department of Energy (DOE) Office of Fossil Energy (FE) at the National Energy Technology Laboratory (NETL) has developed the FE/NETL CO 2 Prophet Model, which is Version 2 of CO 2 Prophet. This document describes the mathematical foundation for the FE/NETL CO 2 Prophet Model. CO 2 Prophet was originally developed in the 1990s by Texaco Exploration and Production and Technology Department for DOE. The FE/NETL CO 2 Prophet Model is an oil reservoir simulator that is suitable for simulating water floods and supercritical carbon dioxide (CO 2 ) enhanced oil recovery (EOR). The FE/NETL CO 2 Prophet Model uses a number of assumptions to simplify the equations describing the flow of oil, water (or brine), and CO 2 in the oil reservoir.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Center for the Geologic Storage of CO 2 (GSCO2) (Final Report)

The Center for Geologic Storage of CO2 (GSCO2) focuses on basic-science approaches to recognized industry and technology challenges for commercial deployment of carbon dioxide (CO2) storage in clastic reservoirs. With this focus, the GSCO2 strives to generate new conceptual, mathematical, and numerical models applicable to geologic storage systems in specific and strategically identified research areas. Over the four-year research period (plus two-year no-cost extension), the GSCO2 developed its focus on one central research question: What is the mechanism of injection-induced microseismicity, and can we control and predict its occurrence?

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Conceptual Design of Integrated Energy Systems with Market Interaction Surrogate Models

Most integrated energy system (IES) optimization frameworks employ the price-taker approximation, which ignores important interactions with market and can result in overestimated economic values. In this work, we pro-pose a machine learning surrogate-assisted optimization framework to quantify the IES/market interactions and thus go beyond price taker. We use time series clustering to generate representative IES operation profiles for the IES optimization problem and use machine learning surrogate models to predict the IES/market interaction. We quantify the accuracy of the time series clustering and surrogate models in a case study to optimally retrofit a nuclear power plant with polymer electrolyte membrane electrolyzer to co-produce electricity and hydrogen.

Chen, Xinhe↗
DOE OSTI2024

Combined ambient vibration and surface displacement measurements for improved progressive failure monitoring at a toppling rock slab in Utah, USA

Seismic resonance and surface displacement measurements can be implemented in tandem to improve landslide characterization and progressive failure monitoring. Crack aperture data are frequently used in rock slope stability monitoring and often exhibit recognizable trends prior to failure, such as accelerated crack opening. Alternatively, ambient resonance data offer multiple parameters including modal frequencies, damping, and polarization that can be monitored alongside crack aperture and may respond differently to environmental forcings and complex failure evolution. We analyzed data from continuous ambient vibration monitoring and concomitant crack aperture measurements at the Courthouse Mesa instability, a large toppling sandstone slab in Utah, USA. Three years of data revealed crack aperture increases of 2–4 mm/year with no clearly detectable irreversible changes in modal parameters, including frequency. Annually, frequency and displacement varied by 29% and 19% of the mean, respectively, with average and maximum daily frequency fluctuations of 6.5% and 16%, respectively. These reversible cyclic changes were primarily temperature-driven, but annually, frequency was in-phase with temperature whereas crack aperture lagged temperature changes by ~37 days. Polarization and damping also varied seasonally but were less strongly correlated with temperature. Conceptual 3D finite element modeling demonstrated consistent frequency decreases associated with crack propagation but variable changes in crack aperture measured at a single point; i.e., crack propagation did not always result in increased crack opening but always generated a resonance frequency decrease. Taken together, our data suggest a possible thermal wedging-ratcheting mechanism at the Courthouse Mesa instability, where annual thermoelastic crack closure is impeded by debris infill but the absence of downward crack propagation during the monitoring period is evidenced by no permanent resonance frequency changes. Our study demonstrates that combined seismic resonance and crack aperture data provide an improved description of rock slope instability behavior, supporting refined characterization and monitoring of changes accompanying progressive failure.

58 GEOSCIENCES↗
DOE OSTI2024

Conceptual Design of Integrated Energy Systems with Market Interaction Surrogate Models

Most integrated energy system (IES) optimization frameworks employ the price-taker approximation, which ignores important interactions with the market and can result in overestimated economic values. In this work, we propose a machine learning surrogate-assisted optimization framework to quantify IES/market interactions and thus go beyond price-taker. We use time series clustering to generate representative IES operation profiles for the optimization problem and use machine learning surrogate models to predict the IES/market interaction. We quantify the accuracy of the time series clustering and surrogate models in a case study to optimally retrofit a nuclear power plant with a polymer electrolyte membrane electrolyzer to co-produce electricity and hydrogen.

Chen, Xinhe↗
NASA NTRS1972

Fuel cell technology program contract summary report

A fuel cell technology program which was established to advance the state-of-the-art of hydrogen-oxygen fuel cells using the P and WA PC8B technology as the base is reported. The major tasks of this program consisted of (1) fuel cell system studies of a space shuttle powerplant conceptual design (designated engineering model -1, EM-1) supported by liaison with the space shuttle prime contractors; (2) component and subsystem technology advancement and; (3) a demonstrator powerplant test. Fuel cell system studies, with the EM-1 as the focal point of design activities, included determination of voltage regulation, specific reactant consumption, weight, voltage level and performance characteristics. These studies provided the basis for coordination activities with the space shuttle vehicle prime contractor. Interface information, on-board checkout and in-flight monitoring requirements, and development cost data were also provided as part of this activity. Even though the two vehicles primes had different voltage requirements (115 volts in one case and 28 volts in the other), it was concluded that either option could be provided in the fuel cell power system by the electrical hook-up of the cells in the stack.

Source record↗
NASA NTRS1977

Possible origins of time variability in Jupiter's outer magnetosphere. I - Variations in solar wind dynamic pressure. II - Variations in solar wind magnetic field

Attention is given to the effect of changes in the dynamic pressure of the solar wind on the structure of a centrifugally driven planetary wind from Jupiter. It is suggested that dynamic pressure variations can induce a transition between a super-Alfvenic wind and a sub-Alfvenic wind breeze on Jupiter's dayside. This could possibly account for the observed large-scale changes in the structure of Jupiter's outer magnetosphere. An attempt is then made to conceptually merge planetary wind models of Jupiter's outer magnetosphere with reconnection models of Jupiter's outer magnetosphere.

Coroniti, F. V.↗
NASA NTRS1986

Open system magnetic evolution of the taos plateau volcanic field, Northern New Mexico. I - The petrology and geochemistry of the servilleta basalt

MULTIFIT, an embodiment of the conceptual structure needed in modeling multisource and multiprocess magmatic systems, is described. This program, which uses familiar materials balance methodology and the equilibrium form of the Rayleigh equations, links evolutionary arrays, which is turn collectively relate the starting and final compositions of a given magmatic system. Moreover, MULTIFIT incorporates variations within major element data arrays; the linkage between them can be tested using an extension of the least squares algorithm, which selects the best branch point according to the minimum-sum-of-squared-residuals criterion. Advantages and disadvantages of the materials balance approach used in this program are discussed, an example is provided, and equations utilized by MULTIFIT are summarized. While MULTIFIT may not be the best approach for poorly constrained models involving partial melting for complex mixing, it may ultimately prove useful for ascertaining trace element partition coefficients in magnetic systems.

Dungan, M. A.↗
NASA NTRS1990

A failure diagnosis system based on a neural network classifier for the space shuttle main engine

A conceptual design of a model based failure detection and diagnosis system is developed for the space shuttle main engine. This design relies on the accurate and reliable identification of the parameters of the highly nonlinear and very complex engine. The design approach is presented in some detail and results for a failed valve are presented. These preliminary results verify that the developed parameter identification technique together with a neural network classifier can be used for this purpose.

Duyar, Ahmet↗
NASA NTRS1990

A failure diagnosis system based on a neural network classifier for the Space Shuttle Main Engine

A conceptual design of a model based failure deeteection and diagnosis system is deeveloped for the Space Shuttle Main Engine. This design relies on the accurate and reliable identification of the parameters of the highly nonlinear and very complex engine. The design approach is presented in some detail and results for a failed valve are presented. These preliminary results verify that the developed parameter identification technique, together with a neural network classifier, can be used for this purpose.

Duyar, Ahmet↗
NASA NTRS1995

Scaling evaluation of the effect of surface characteristics on potential for deep convection over uniform terrain

The effect of surface characteristics on the daytime change in the potential for development of deep convection resulting from surface flux of heat and moisture is evaluated by conceptual, scaling, and numerical modeling approaches. It is shown that deep convection depends significantly on the Bowen ratio; for smaller Bowen ratio, the thermodynamic potential for deep convection increases. The elevation and the intensity of the capping stable layer have an opposing impact on deep convection: increasing moisture accumulation through evapotranspiration was supportive but was counteracted by the enhancement of dry entrainment. Based on an approximnate treatment of the effect of cloudiness on solar irradiance, it was found that development of fair weather cumulus has a secondary effect on deep convection potential. Observational and operational aspects of the influence of surface conditions on evapotranspiration and development of deep convection are presented.

Segal, M.↗
NASA NTRS2003

Development of the Next Generation Gas Trap for the Space Station Internal Thermal Control System

The current dual-membrane gas trap is designed to remove non-condensed gases (NCG) from the Internal Thermal Control System (ITCS) coolant on board the International Space Station (ISS). To date it has successfully served its purpose of preventing depriming, overspeed, and shutdown of the ITCS pump. However, contamination in the ITCS coolant has adversely affected the gas venting rate and lifetime of the gas trap, warranting a development effort for a next-generation gas trap. Design goals are to meet or exceed the current requirements to (1) include greater operating ranges and conditions, (2) eliminate reliance on the current hydrophilic tube fabrication process, and (3) increase operational life and tolerance to particulate and microbial growth fouling. In addition, the next generation gas trap will essentially be a 'dropin" design such that no modifications to the ITCS pump package assembly (PPA) will be required, and the implementation of the new design will not affect changes to the ITCS operational conditions, interfaces, or software. This paper will present the initial membrane module design and development work which has included (1) a trade study among several conceptual designs, (2) performance modeling of a hydrophobic-only design, and (3) small-scale development test data for the hydrophobic-only design. Testing has shown that the hydrophobic-only design is capable of performing even better than the current dual-membrane design for both steady-state gas removal and gas slug removal.

Leimkuehler, Thomas O.↗