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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Effects of Phosphine-Carbene Substitutions on the Electrochemical and Thermodynamic Properties of Nickel Complexes

Nickel(II) complexes containing chelating N-heterocyclic carbene-phosphine ligands ([NiL2](BPh4)2, for which L = [MeIm(CH2)2PR2]) have been synthesized for the purpose of studying how this class of ligand effects the electrochemical properties compared to the nickel bis- diphosphine analogues. The nickel complexes were synthesized and characterized by x-ray crystallography and electrochemical methods. Based on the half wave potentials (E1/2), substitution of an NHC for one of the phosphines in a diphoshine ligand results in shifts in potential to 0.6 V to 1.2 V more negative than the corresponding nickel bis-diphosphine complexes. These quantitative results highlight the substantial effect that NHC ligands can have upon the electronic properties of the metal complexes. BRG, JCL, and AMA acknowledge the support by the US Department of Energy Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. MLH acknoledges the support of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

carbene↗
DOE OSTI2012

An investigation of the effect of pore scale flow on average geochemical reaction rates using direct numerical simulation

The scale-dependence of geochemical reaction rates hinders their use in continuum scale models intended for the interpretation and prediction of chemical fate and transport in subsurface environments such as those considered for geologic sequestration of CO 2 . Processes that take place at the pore scale, especially those involving mass transport limitations to reactive surfaces, may contribute to the discrepancy commonly observed between laboratory-determined and continuum-scale or field rates. In this study we investigate the dependence of mineral dissolution rates on the pore structure of the porous media by means of pore scale modeling of flow and multicomponent reactive transport. The pore scale model is composed of high-performance simulation tools and algorithms for incompressible flow and conservative transport combined with a general-purpose multicomponent geochemical reaction code. The model performs direct numerical simulation of reactive transport based on an operator-splitting approach to coupling transport and reactions. The approach is validated with a Poiseuille flow single-pore experiment and verified with an equivalent 1-D continuum-scale model of a capillary tube packed with calcite spheres. Using the case of calcite dissolution as an example, the high-resolution model is used to demonstrate that nonuniformity in the flow field at the pore scale has the effect of decreasing the overall reactivity of the system, even when systems with identical reactive surface area are considered. In conclusion, the effect becomes more pronounced as the heterogeneity of the reactive grain packing increases, particularly where the flow slows sufficiently such that the solution approaches equilibrium locally and the average rate becomes transport-limited.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Effect of hydrocarbon adsorption on the wettability of rare earth oxide ceramics

Vapor condensation is routinely used as an effective means of transferring heat, with dropwise condensation exhibiting a 5 − 7x heat transfer improvement compared to filmwise condensation. However, state-of-the-art techniques to promote dropwise condensation rely on functional hydrophobic coatings, which are often not robust and therefore undesirable for industrial implementation. Natural surface contamination due to hydrocarbon adsorption, particularly on noble metals, has been explored as an alternative approach to realize stable dropwise condensing surfaces. While noble metals are prohibitively expensive, the recent discovery of robust rare earth oxide (REO) hydrophobicity has generated interest for dropwise condensation applications due to material costs approaching 1% of gold; however, the underlying mechanism of REO hydrophobicity remains under debate. In this work, we show through careful experiments and modeling that REO hydrophobicity occurs due to the same hydrocarbon adsorption mechanism seen previously on noble metals. To investigate adsorption dynamics, we studied holmia and ceria REOs, along with control samples of gold and silica, via X-Ray photoelectron spectroscopy (XPS) and dynamic time-resolved contact angle measurements. The contact angle and surface carbon percent started at ≈0 on in-situ argon-plasma-cleaned samples and increased asymptotically over time after exposure to laboratory air, with the rare earth oxides displaying hydrophobic (>90°) advancing contact angle behavior at long times (>4 days). The results indicate that REOs are in fact hydrophilic when clean and become hydrophobic due to hydrocarbon adsorption. Furthermore, this study provides insight into how REOs can be used to promote stable dropwise condensation, which is important for the development of enhanced phase change surfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

The one-loop matter bispectrum in the Effective Field Theory of Large Scale Structures

With this study, given the importance of future large scale structure surveys for delivering new cosmological information, it is crucial to reliably predict their observables. The Effective Field Theory of Large Scale Structures (EFTofLSS) provides a manifestly convergent perturbative scheme to compute the clustering of dark matter in the weakly nonlinear regime in an expansion in k/k NL , where k is the wavenumber of interest and k NL is the wavenumber associated to the nonlinear scale. It has been recently shown that the EFTofLSS matches to 1% level the dark matter power spectrum at redshift zero up to k ≃ 0.3 h Mpc –1 and k ≃ 0.6 h Mpc –1 at one and two loops respectively, using only one counterterm that is fit to data. Similar results have been obtained for the momentum power spectrum at one loop. This is a remarkable improvement with respect to former analytical techniques. Here we study the prediction for the equal-time dark matter bispectrum at one loop. We find that at this order it is sufficient to consider the same counterterm that was measured in the power spectrum. Without any remaining free parameter, and in a cosmology for which kNL is smaller than in the previously considered cases (σ 8 =0.9), we find that the prediction from the EFTofLSS agrees very well with N-body simulations up to k ≃ 0.25 h Mpc –1 , given the accuracy of the measurements, which is of order a few percent at the highest k's of interest. While the fit is very good on average up to k ≃ 0.25 h Mpc –1 , the fit performs slightly worse on equilateral configurations, in agreement with expectations that for a given maximum k, equilateral triangles are the most nonlinear.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Investigation of Farm-to-Farm Interactions and Blockage Effects from AWAKEN using Large-Scale Numerical Simulations

A large-scale numerical computation of five wind farms was performed as a part of the American Wake Experiment (AWAKEN). This high-fidelity computation used the ExaWind/AMR-Wind LES solver to simulate a 100km × 100km domain containing 541 turbines under unstable atmospheric conditions matching previous measurements. The turbines were represented by Joukowski and OpenFAST coupled actuator disk models. Results of this qualitative comparison illustrate the interactions with wind farms with large scale ABL structures in the flow, as well as the extent of downstream wake penetration in the flow and blockage effects around wind farms.

Cheung, Lawrence C.↗
DOE OSTI2015

Measurement of the Effective Weak Mixing Angle in p p ¯ → Z / γ * → e + e - Events

We present a measurement of the fundamental parameter of the standard model, the weak mixing angle sin 2 θ ℓ eff which determines the relative strength of weak and electromagnetic interactions, in pp¯→Z/γ*→e + e - events at a center of mass energy of 1.96 TeV, using data corresponding to 9.7 fb -1 of integrated luminosity collected by the D0 detector at the Fermilab Tevatron. The effective weak mixing angle is extracted from the forward-backward charge asymmetry as a function of the invariant mass around the Z boson pole. The measured value of sin 2 θ ℓ eff =0.23147±0.00047 is the most precise measurement from light quark interactions to date, with a precision close to the best LEP and SLD results.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Analysis of the Effect of Communication Latencies on HVDC-Based Damping Control

A wide-area controller to damp inter-area oscillations in the North American Western Interconnection (WI) by modulating power transfers in a HVDC link is used in this paper to investigate the effects that latencies in its feedback signals have on its performance. This controller uses two feedback measurements to perform its control action. The analysis show that the stabilizing effect of the controller in transient stability and small signal stability is compromised as the feedback measurements experience higher delays. The results show that one of the feedback signals can tolerate more delay than the other. The analysis was performed with Bode plots and time domain simulations on a reduced order model of the WI from which a linear version was obtained.

Wilches-Bernal, Felipe↗
DOE OSTI2021

Effects of Al:Si and (Al + Na):Si ratios on the properties of the international simple glass, part I: Physical properties

Understanding composition-structure-property relationships of high-alumina nuclear waste glasses are important for vitrification of nuclear waste at the Hanford Site. Two series of glasses were designed, one with varying Al:Si ratios and the other with (Al+Na):Si ratios based on the International Simple Glass (ISG, a simplified nuclear waste model glass), with Al2O3 ranging from 0 to 23 mol % (0 to 32 wt. %). The glasses were synthesized and characterized using electron probe microanalysis, X-ray photoelectron spectroscopy, small angle X-ray scattering, high temperature oxide melt solution calorimetry, and infrared spectroscopy. Glasses were crystal free, and the lowest Na2O and Al2O3 glass formed an immiscible glass phase. Evolution of various properties - glass transition temperature, percentage of 4-coordinated B, enthalpy of glass formation - and infrared spectroscopy results indicate that structural effects differ based on the glass series.

Nuclear Waste Glass↗