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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Integrated system modeling analysis of a cryogenic multi-cell deflecting-mode cavity resonator

A deflecting mode cavity is the integral element for six-dimensional phase-space beam control in bunch compressors and emittance transformers at high energy beam test facilities. RF performance of a high-Q device is, however, highly sensitive to operational conditions, in particular in a cryo-cooling environment. Using analytic calculations and RF simulations, we examined cavity parameters and deflecting characteristics of TM{sub 110,π} mode of a 5 cell resonator in a liquid nitrogen cryostat, which has long been used at the Fermilab A0 Photoinjector (A0PI). The sensitivity analysis indicated that the cavity could lose 30%–40% of deflecting force due to defective input power coupling accompanying non-uniform field distribution across the cells with 40 ∼ 50 MeV electron beam and 70–80 kW klystron power. Vacuum-cryomodules of the 5 cell cavity are planned to be installed at the Fermilab Advanced Superconducting Test Accelerator facility. Comprehensive modeling analysis integrated with multi-physics simulation tools showed that RF loading of 1 ms can cause a ∼5 K maximum temperature increase, corresponding to a ∼4.3 μm/ms deformation and a 1.32 MHz/K maximum frequency shift. The integrated system modeling analysis will improve design process of a high-Q cavity with more accurate prediction of cryogenic RF performance under a high power pulse operation.

43 PARTICLE ACCELERATORS↗
DOE OSTI2012

No-Core Shell Model Analysis of Light Nuclei

The fundamental description of both structural properties and reactions of light nuclei in terms of constituent protons and neutrons interacting through nucleon-nucleon and three-nucleon forces is a long-sought goal of nuclear theory. I will briefly present a promising technique, built upon the ab initio no-core shell model, which emerged recently as a candidate to reach such a goal: the no-core shell model/resonating-group method. This approach, capable of describing simultaneously both bound and scattering states in light nuclei, complements a microscopic cluster technique with the use of two-nucleon realistic interactions, and a microscopic and consistent description of the nucleon clusters. I will discuss applications to light nuclei binary scattering processes and fusion reactions that power stars and Earth based fusion facilities, such as the deuterium–3He fusion, and outline the progress toward the inclusion of the three-nucleon force into the formalism and the treatment of three-body clusters.

Physics↗
DOE OSTI2014

A Composite Modeling Analysis of the Deformation Behavior of Medium Manganese Steels

The deformation behavior of medium manganese steels was evaluated with uniaxial tensile testing and the results were correlated with predictions of a composite model shown previously to provide design insight into the development of multi-phase steels with third-generation advanced high strength steel (3GAHSS) properties. An equilibrium thermodynamic-based methodology to design microstructures containing systematic amounts of metastable austenite with controlled stability against transformation is presented. The analysis is based on Mn enrichment of austenite during intercritical annealing of medium Mn (7 and 10 wt pct.) low carbon (0.1 and 0.15 wt pct) steels. The steels were produced as laboratory heats that were hot and cold rolled prior to annealing. After annealing the microstructures consisted primarily of either a matrix of fine grained ferrite with austenite contents between 32.6 and 45.2 wt pct (7Mn, 0.1C steels) or a matrix of martensite with various amounts of austenite in the higher Mn steel. The different intercritical annealing conditions produced steels with wide variations in austenite contents and austenite compositions (Mn and C contents) resulting in steels with significant variations in austenite stability. Predictions based on the composite analysis with different assumed flow behaviors for the individual constituents and stability functions for the meta-stable austenite are presented and shown to accurately predict strength-ductility combinations over a range of austenite volume fractions for the 7Mn steel. Applicability of the composite analysis is extended to consider the deformation behavior of the 10Mn steel and evaluate other possible microstructural combinations leading to 3GAHSS properties.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Modeling Analysis of the Swell and Wind-Sea Climate in the Salish Sea

Accurate model hindcast of wave climate in complex estuarine systems is challenging because high-resolution wave model and wind forcing are required. In this study, a modeling approach using the unstructured-grid Simulating WAves Nearshore and wind product from a high-resolution regional Weather Research and Forecasting hindcast was used to simulate the swell and wind-sea climate in the Salish Sea, a large estuary with many interconnected waterways on the Pacific Northwest coast of North America. The model hindcast was validated with observed data at four wave buoys in the Salish Sea. Spatial distribution and seasonal variations of wave climate in the Salish Sea were analyzed. Of the three major basins in the Salish Sea, the Strait of Juan de Fuca has the largest waves and is dominated by swells propagated from the Pacific Ocean. Significant wave heights in the Strait of Georgia have spatial and seasonal distribution patterns similar to those found in the Strait of Juan de Fuca. Waves in Puget Sound are small and primarily dominated by the wind-sea climate. Strong seasonal variations are observed in the Strait of Juan de Fuca and Strait of Georgia, but there is little seasonality of wave climate in Puget Sound. The high-resolution wave hindcast conducted in this study provides a comprehensive and important data set for better understanding the role of wave climate in coastal processes and natural hazards assessment in the Salish Sea.

wave climate, salish sea, modeling, swell, sea sta↗
DOE OSTI2015

Practical Use of Computationally Frugal Model Analysis Methods

Computationally frugal methods of model analysis can provide substantial benefits when developing models of groundwater and other environmental systems. Model analysis includes ways to evaluate model adequacy and to perform sensitivity and uncertainty analysis. Frugal methods typically require 10s of parallelizable model runs; their convenience allows for other uses of the computational effort. We suggest that model analysis be posed as a set of questions used to organize methods that range from frugal to expensive (requiring 10,000 model runs or more). This encourages focus on method utility, even when methods have starkly different theoretical backgrounds. We note that many frugal methods are more useful when unrealistic process-model nonlinearities are reduced. Inexpensive diagnostics are identified for determining when frugal methods are advantageous. Examples from the literature are used to demonstrate local methods and the diagnostics. We suggest that the greater use of computationally frugal model analysis methods would allow questions such as those posed in this work to be addressed more routinely, allowing the environmental sciences community to obtain greater scientific insight from the many ongoing and future modeling efforts

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Model Analysis ToolKit

MATK provides basic functionality to facilitate model analysis within the Python computational environment. Model analysis setup within MATK includes: - define parameters - define observations - define model (python function) - define samplesets (sets of parameter combinations) Currently supported functionality includes: - forward model runs - Latin-Hypercube sampling of parameters - multi-dimensional parameter studies - parallel execution of parameter samples - model calibration using internal Levenberg-Marquardt algorithm - model calibration using lmfit package - model calibration using levmar package - Markov Chain Monte Carlo using pymc package MATK facilitates model analysis using: - scipy - calibration (scipy.optimize) - rpy2 - Python interface to R

Harp, DylanR.↗
DOE OSTI2015

Model Analysis ToolKit

MATK provides basic functionality to facilitate model analysis within the Python computational environment. Model analysis setup within MATK includes: - define parameters - define observations - define model (python function) - define samplesets (sets of parameter combinations) Currently supported functionality includes: - forward model runs - Latin-Hypercube sampling of parameters - multi-dimensional parameter studies - parallel execution of parameter samples - model calibration using internal Levenberg-Marquardt algorithm - model calibration using lmfit package - model calibration using levmar package - Markov Chain Monte Carlo using pymc package MATK facilitates model analysis using: - scipy - calibration (scipy.optimize) - rpy2 - Python interface to R

Harp, Dylan R.↗
DOE OSTI2018

Numerical Investigation of Desulfurization Kinetics in Gas-Stirred Ladles by a Quick Modeling Analysis Approach

A quick modeling analysis approach for predicting the slag-steel reaction and desulfurization kinetics in argon gas-stirred ladles has been developed in this study. The model consists of two uncoupled components: (i) a computational fluid dynamics (CFD) model for predicting the fluid flow and the characteristics of slag-steel interface, and (ii) a multicomponent reaction kinetics model for calculating the desulfurization evolution. The steel-slag interfacial area and mass transfer coefficients predicted by the CFD simulation are used as the processing data for the reaction model. Since the desulfurization predictions are uncoupled from the CFD simulation, the computational time of this uncoupled predictive approach is decreased by at least 100 times for each case study when compared with the CFD-reaction kinetics fully coupled model. The uncoupled modeling approach was validated by comparing the evolution of steel and slag compositions with the experimentally measured data during ladle metallurgical furnace (LMF) processing at Nucor Steel Tuscaloosa, Inc. Then, the validated approach was applied to investigate the effects of the initial steel and slag compositions, as well as different types of additions during the refining process on the desulfurization efficiency. The results revealed that the sulfur distribution ratio and the desulfurization reaction can be promoted by making Al and CaO additions during the refining process. It was also shown that by increasing the initial Al content in liquid steel, both Al oxidation and desulfurization rates rapidly increase. In addition, it was found that the variation of the initial Si content in steel has no significant influence on the desulfurization rate. Lastly, if the initial CaO content in slag is increased or the initial Al{sub 2}O{sub 3} content is decreased in the fluid-slag compositional range, the desulfurization rate can be improved significantly during the LMF process.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Methodology Description for the Policy Analysis Modeling System (PAMS)

The Policy Analysis Modeling System is a spreadsheet tool developed to provide an estimate of costs and benefits of appliance efficiency standard and labeling programs. PAMS is a self-contained spreadsheet model that provides both a consumer-oriented analysis and a national cost-benefit analysis in the style of the analysis performed for U.S. appliance efficiency standards. The tool allows policy analysts from many countries to produce a first-cut analysis of appliance efficiency program costs and benefits, examine the sensitivities of the analysis with respect to different policy parameters and assumptions, and continually refine the analysis as more data becomes available. The methodology is a bottom-up approach, using technical specifications for particular products in estimating the increased cost to the consumer resulting from implementation of particular energy-saving designs. It is designed to operate for the widest possible variety of countries, and with as little need as possible for detailed input data. For more accurate results, it can be easily customized to use the most reliable country-specific data inputs. In addition to consumer financial impacts, the tool provides national primary energy savings and estimates of carbon emissions mitigation resulting from the program.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Unreliability of two-band model analysis of magnetoresistivities in unveiling temperature-driven Lifshitz transition

Recently, anomalies in the temperature dependences of the carrier density and/or mobility derived from analysis of the magnetoresistivities using the conventional two-band model have been used to unveil intriguing temperature-induced Lifshitz transitions in various materials. For instance, two temperature-driven Lifshitz transitions were inferred to exist in the Dirac nodal-line semimetal ZrSiSe, based on two-band model analysis of the Hall magnetoconductivities where the second band exhibits a change in the carrier type from holes to electrons when the temperature decreases below T=106K and a dip is observed in the mobility vs temperature curve at T=80K. Here, in this study, we revisit the experiments and two-band model analysis on ZrSiSe. We show that the anomalies in the second band may be spurious because the first band dominates the Hall magnetoconductivities at T>80K, making the carrier type and mobility obtained for the second band from the two-band model analysis unreliable. That is, care must be taken in interpreting these anomalies as evidence for temperature-driven Lifshitz transitions. Our skepticism on the existence of such phase transitions in ZrSiSe is further supported by the validation of Kohler's rule for magnetoresistances for T≤180K. In this paper, we showcase potential issues in interpreting anomalies in the temperature dependence of the carrier density and mobility derived from the analysis of magnetoconductivities or magnetoresistivities using the conventional two-band model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Dynamic Linking of Upstream Energy and Freight Demands for Bio and Fossil Energy Pathways in the Global Change Analysis Model

Comprehensive study of the environmental impacts associated with demand for an energy resource or carrier in any one sector requires a full consideration of the direct and indirect impacts on the rest of the regional and global energy system. It is important to consider the energy that is consumed in producing primary energy resources and energy consumed in transporting these energy resources internationally and domestically in order to produce a complete picture of these impacts. Biofuels are especially complex since they have feedbacks not just to the energy system but also to regional and global crop markets. Different modeling and analysis strategies have been applied to consider these impacts, which occur “upstream” of final energy consumption, with some success. Traditional life cycle models allow for rich technological detail in linking upstream impacts of energy demand with downstream final consumption; however, they cannot by themselves represent dynamic economic feedbacks across multiple sectors and regions over time. Computable general equilibrium (CGE) modeling does account for economic feedback among all sectors and regions; however, CGE modeling does not lend itself to physical representation of technological detail. Partial equilibrium (PE) modeling is a heterogeneous category describing economic models that focus on a subset of the economy, and they differ in coverage and ease in incorporating more sectors and economic links. In this study, we present a strategy for dynamically including the direct and indirect impacts of energy demand with physical and technology detail by explicitly adding these upstream energy and transportation links to GCAM, a PE model of global energy, land use, and emissions. We incorporate the following inter-sectoral linkages: energy inputs to crop production, energy inputs to fossil resource production, and freight transport requirements of energy and agricultural commodities. We assess the implications of explicitly including these links by measuring the global impacts of increased corn ethanol demand in the United States with and without these links included. Although the net global impact of the upstream links on energy and emissions are relatively modest in the scenarios we studied, the inclusion of these links illustrates interesting trade-offs in energy and transportation demand among fossil fuel and agriculture sectors. These sectoral interactions suggest that this level of modeling detail could be important in evaluating future analytical questions.

Sampedro Martinez de Estivariz, Jon↗
DOE OSTI2019

Multi‐model analysis of climate impacts on plant photosynthesis in China during 2000–2015

Abstract Differences, arising from differences in gross primary production (GPP) model structures and driving forces, have fuelled arguments concerning interannual changes of GPP in China since 2000. To better investigate the interannual variability of GPP and its covariance with climate factors in China, this study adopted a multi‐model analysis based on three GPP models (i.e., Terrestrial Ecosystem Carbon flux model [TEC], Breathing Earth System Simulator model [BESS], and MOD17 GPP model). The results show that annual GPP in China increased by 0.021–0.057 Pg C year −1 from 2000 to 2015 attributable to atmospheric‐CO 2 fertilization effects and favourable climate change, that is, increasing precipitation ( P r ) and temperature ( T a ). However, northern China and southern China had a large difference in the amplitude of these GPP changes; annual GPP increased by 0.017–0.039 Pg C year −1 in northern China but only 0.001–0.018 Pg C year −1 in southern China. Northern China and southern China occupy contrasting climate zones and this contrast produced different interannual variability of GPP through different mechanisms. Northern China has a dry climate with GPP changes sensitive to P r . As a result, more P r along with higher T a in northern China produced the strong uptrend of GPP from 2000 to 2015. In contrast, southern China has a wet climate with its GPP sensitive to solar radiation and T a . For the interval of 2000–2015, decreasing radiation plus drought exerted a negative influence on GPP in southern China. This study highlights the diverse mechanisms in which climate change affects GPP in dry and wet climate zones. A robust multi‐model analysis is preferred to reduce uncertainties arising from a single GPP model and its driving data.

Yan, Hao↗
DOE OSTI2021

Intensified Soil Moisture Extremes Decrease Soil Organic Carbon Decomposition: A Mechanistic Modeling Analysis

Earth system models have predicted that there will be more frequent and severe precipitation and drought events in terrestrial ecosystems. Microbially mediated decomposition of soil organic carbon (SOC) tends to increase as soils wet and decrease as soils dry. However, the long-term SOC change under intensified moisture extremes remains poorly known as it depends on the frequency and intensity of soil drying and wetting. In this study, we explored long-term SOC dynamics under scenarios of alternating drying-wetting cycles using the Microbial-ENzyme Decomposition model, a mechanistic microbial model. The model was parameterized with 11 years of observations from a temperate deciduous broadleaf forest site, showing satisfactory model performance in both model calibration (R 2 = 0.67) and validation (R 2 = 0.69) against heterotrophic respiration. We then used the model to simulate the long-term SOC dynamics under five scenarios of alternating drying-wetting cycles with different frequencies and severities over a period of 100 years. Results showed that the changes in active microbial biomass C and the corresponding turnover rates of SOC pools were more sensitive to soil drying than soil wetting. As a result, the cumulative soil carbon emission from microbial respiration decreased by 433.7 g C m -2 after the 100-year simulation in the highest frequency and intensity moisture scenario, but was not significantly affected by the lowest frequency and intensity scenario. This study emphasizes the nonlinear response of SOC decomposition to soil moisture changes, which causes decreased decomposition by microbes under drying that is, not compensated by increased decomposition under wetting conditions.

58 GEOSCIENCES↗