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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Measurement of Convective Heat Transfer Coefficients with Supercritical CO2 in Novel Additively Manufactured Helically Patterned Pin Fin Tubes Using the Wilson Plot Technique

This paper describes the measurement of convective heat transfer coefficients and friction factors for sCO2 flowing in pin-fin patterned pipes in the Heat Exchange and Experimental Testing (HEET) facility at the US DoE’s National Energy Technology Laboratory (NETL) in Morgantown, WV. The measurement procedures in the HEET rig were validated by conducting benchmark tests with smooth stainless-steel tube and comparing the results with published correlations for Nusselt number (Nu) and friction factor. Over typical Reynolds number range in sCO2, the measured Nu and friction factors were within 7% of classical correlations for smooth tube flow.The candidate pin fin patterned pipes were additively manufactured (AM) at the Oak Ridge National Laboratory. The pins were circular or elliptical in cross-section. Pin length to diameter aspect ratios were 1.33 and 2, while the pin diameter to tube diameter ratio was 0.188 and 0.125. Tests were performed for ReD varying from 6.9×104 to 2.2×105 and at conditions equivalent to the low pressure outlet (8.69 MPa, 361 K) of the low temperature recuperator (LTR) in an indirect sCO2 power cycle. The Wilson plot technique was utilized to measure the bulk heat transfer coefficients.For the better performing design (tube A, pin length to tube diameter ratio: 1.33, pin diameter to tube diameter ratio: 0.188), the local heat transfer coefficient increased by 112% relative to the Dittus-Boelter correlation at the LTR low pressure outlet. This corresponded to a 282% increase in the product of the heat transfer coefficient and the surface area. Large pressure drops across the test articles were observed.

Searle, Matthew↗
DOE OSTI2018

Accurate geometries for “Mountain pass” regions of the Ramachandran plot using quantum chemical calculations

Unusual local arrangements of protein in Ramachandran space are not well represented by standard geometry tools used in either protein structure refinement using simple harmonic geometry restraints or in protein simulations using molecular mechanics force fields. In contrast, quantum chemical computations using small poly-peptide molecular models can predict accurate geometries for any well-defined backbone Ramachandran orientation. Additionally, for conformations along transition regions-$\phi$ from -60 to 60°-a very good agreement with representative high-resolution experimental X-ray (≤1.5 Å) protein structures is obtained for both backbone C -1 -N-C α angle and the nonbonded O -1 …C distance, while "standard geometry" leads to the "clashing" of O…C atoms and Amber FF99SB predicts distances too large by about 0.15 Å. These results confirm that quantum chemistry computations add valuable support for detailed analysis of local structural arrangements in proteins, providing improved or missing data for less understood high-energy or unusual regions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Empirical kinetics and their role in elucidating the utility of transition-state theory to mineral–water reactions. A comment upon, ''Evidence and Potential Implications of Exponential Tails to Concentration Versus Time Plots for the Batch Dissolution of Calcite'' by V. W. Truesdale

Transition-state theory (TST) is a successful theory for understanding many different types of reactions, but its application to mineral-water systems has not been successful, especially as the system approaches saturation with respect to a rate-limiting phase. A number of investigators have proposed alternate frameworks for using the kinetic rate data to construct models of dissolution, including Truesdale (Aquat Geochem, 2015; this issue). This alternate approach has been resisted, in spite of self-evident discrepancies between TST expectations and the data. The failure of TST under certain circumstances is a result of the presence of metastable intermediaries or reaction layers that form on the surface of reacting solids, and these phenomena are not anticipated by the current theory. Furthermore, alternate approaches, such as the shrinking object model advocated by Truesdale, represent a potentially important avenue for advancing the science of dissolution kinetics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Determination of the Transition Temperature of a Weak Ferromagnetic Thin Film by Means of an Evolution of the Method Based on the Arrott Plots

The ferromagnetic transition temperature (T{sub c}) of a weak ferromagnetic thin film Cu{sub 0.38}Ni{sub 0.62} has been estimated by using an evolution of the Belov, Goriaga, and Arrott (BGA) model. In fact, the typically used measurements of the zero-field-cooled-field-cooled magnetic moment (m) as a function of temperature (T), the magnetic hysteresis loops (m(H)) as a function of field, and the temperature dependence of the remanent magnetic moment, performed on our sample, did not allow us to individuate precisely the value of T{sub c}, mainly due to the influence of thermal effects and noise on the weak ferromagnetic response of the sample, resulting in a large uncertainty in the estimation of T{sub c}. On the other hand, also the commonly used method of determining the T{sub c} by means of a linear extrapolation of the high-field region of m{sup 2} as a function of the normalized magnetic field (H/m) at different temperatures (Arrott curves), working though for our analyzed material, could not completely fulfill the basic assumptions of the BGA model in general. For these reasons, we have considered the analysis of the derivatives of the Arrott curves, starting from observing that the T{sub c} of the sample corresponds to the temperature where the curvature of the Arrott curves at low fields inverts. In this way, the sensitivity in the determination of the Curie point from the inductive measurements of the magnetic moment is improved while the correct assumptions of the Arrott model are also fully respected.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

From plot to scale: ex-ante assessment of conservation agriculture in Zambia

This study combined bottom-up and top-down approaches to assess the ex-ante effects of conservation agriculture (CA)-based systems in Zambia considering both biophysical and economic factors and prevailing farm systems characteristics. For continuous maize cropping we compared a CA-based system of no-tillage with crop residue retention to a control system of conventional tillage with crop residue removal. First, we simulated yield effects that were calibrated and evaluated against multiple datasets, including on-farm agronomic trials from two seasons and six sites. Next, we extrapolated our simulations to all maize-growing areas in Zambia using gridded climate and soil datasets. Then simulated yields (in kg ha( -1 )) were combined with economic data from a nationally-representative household survey to construct economic indicators including benefit-cost ratios (based on gross benefits and variable costs both in $ ha( -1 )) that captured the implicit value of crop residues and labor demands. The field scale (per ha) indicators were scaled out using harvested areas as an expansion factor. All indicators were calculated over 3-, 10-, and 20-year simulation periods using an interpolated sequence of historical climate data. Finally, we conducted a spatial farm typology analysis to help understand the spatial variation in our field-scale indicators and provide insights into trade-offs and the suitability of CA-based systems for farmers. Average changes in yield from using CA-based systems (compared with the control) at the district scale ranged from -37% to 70% (average 33%), with a similar range of changes in benefit-cost ratios once economic factors were included, in addition to intra-district yield variability. Combining the changes in benefit cost ratios with maize harvested area resulted in an average annual change in district-scale net benefit ranging from US $ - 3.9 to US $9.9 million (with an average of US $1.1 million). The heterogeneity in biophysical and economic factors gave a ranking of provinces different according to biophysical or economic indicators, reinforcing the importance of coupling biophysical and economic approaches. The spatial farm typology analysis highlighted the specific contexts of farmers relevant to the suitability of CA, such as their mineral fertilizer applications rates, ownership of livestock, and prevailing soil texture and rainfall.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Predicting the effectiveness of different mulching techniques in reducing post-fire runoff and erosion at plot scale with the RUSLE, MMF and PESERA models

Highlights: • RUSLE, MMF and PESERA, were able to predict the erosive response in burned areas and their mitigation. • These models can be calibrated at a small spatial scale and provide accurate results at greater spatial scales. • RUSLE model ideal for fast and simple risk assessment. • MMF or PESERA models could be the base of a post-fire management decision tool. Wildfires have become a recurrent threat for many Mediterranean forest ecosystems. The characteristics of the Mediterranean climate, with its warm and dry summers and mild and wet winters, make this a region prone to wildfire occurrence as well as to post-fire soil erosion. This threat is expected to be aggravated in the future due to climate change and land management practices and planning. The wide recognition of wildfires as a driver for runoff and erosion in burnt forest areas has created a strong demand for model-based tools for predicting the post-fire hydrological and erosion response and, in particular, for predicting the effectiveness of post-fire management operations to mitigate these responses. In this study, the effectiveness of two post-fire treatments (hydromulch and natural pine needle mulch) in reducing post-fire runoff and soil erosion was evaluated against control conditions (i.e. untreated conditions), at different spatial scales. The main objective of this study was to use field data to evaluate the ability of different erosion models: (i) empirical (RUSLE), (ii) semi-empirical (MMF), and (iii) physically-based (PESERA), to predict the hydrological and erosive response as well as the effectiveness of different mulching techniques in fire-affected areas. The results of this study showed that all three models were reasonably able to reproduce the hydrological and erosive processes occurring in burned forest areas. In addition, it was demonstrated that the models can be calibrated at a small spatial scale (0.5 m{sup 2}) but provide accurate results at greater spatial scales (10 m{sup 2}). From this work, the RUSLE model seems to be ideal for fast and simple applications (i.e. prioritization of areas-at-risk) mainly due to its simplicity and reduced data requirements. On the other hand, the more complex MMF and PESERA models would be valuable as a base of a possible tool for assessing the risk of water contamination in fire-affected water bodies and for testing different land management scenarios.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Application of a Chemical Index to Aerosol Mass Spectrometry: Delta Plots and Functional Group Distributions

A better understanding of the chemical properties of organic aerosol (OA) particles will improve our ability to characterize their sources and predict their lifetime. The high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) is widely used to measure OA in real time using thermal vaporization followed by electron ionization (EI). EI creates fragment ions that can be assigned to functional groups using delta analysis, a method of classifying mass spectra according to the presence of different chemically related ion series. In this study, we demonstrate the application of delta analysis to characterize molecular structures using a new visualization method. We also use delta analysis to quantify the functional group distribution with an average absolute error of ∼5–6% for individual standard molecules, comparable to the error observed for OA mixtures from biomass and coal combustion fit with Fourier transform infrared spectroscopy. Finally, we apply delta functional group analysis to AMS positive matrix factorization (PMF) factors across seven different field campaigns and find a similar composition across the more oxidized factors with about 55% acid and 26% alcohol groups. The analysis method described here can be applied to any HR-ToF-AMS data set to provide quantitative relative functional group distributions for OA mixtures.

aerosol↗
DOE OSTI2015

Ergodic theory and visualization. II. Fourier mesochronic plots visualize (quasi)periodic sets

We present an application and analysis of a visualization method for measure-preserving dynamical systems introduced by I. Mezić and A. Banaszuk [Physica D 197, 101 (2004)], based on frequency analysis and Koopman operator theory. This extends our earlier work on visualization of ergodic partition [Z. Levnajić and I. Mezić, Chaos 20, 033114 (2010)]. Our method employs the concept of Fourier time average [I. Mezić and A. Banaszuk, Physica D 197, 101 (2004)], and is realized as a computational algorithms for visualization of periodic and quasi-periodic sets in the phase space. The complement of periodic phase space partition contains chaotic zone, and we show how to identify it. The range of method's applicability is illustrated using well-known Chirikov standard map, while its potential in illuminating higher-dimensional dynamics is presented by studying the Froeschlé map and the Extended Standard Map.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Anomalous U ( 1 ) A couplings and the Columbia plot

When the quark masses are lighter than those in QCD, the standard lore is that a chiral transition of first order must emerge for three light flavors. Recently, however, numerical simulations on the lattice suggest that the chiral transition is of second order in the chiral limit. Using an extended linear sigma model in the mean field approximation, we study the relation between terms which break the anomalous, U ( 1 ) A symmetry and the order of the chiral phase transition, especially how a chiral transition of second order can arise for three massless flavors. We note that in an (unphysical) region of the “Columbia” phase diagram, when the strange quark mass is light and negative, corresponding to topological angle θ = π , the C P symmetry is spontaneously broken. Published by the American Physical Society 2025

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗