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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Avoiding Steric Congestion in Dendrimer Growth through Proportionate Branching. A Twist on da Vinci's Rule of Tree Branching

In making defect-free macromolecules, the challenge occurs during chemical synthesis. This challenge is especially pronounced in dendrimer synthesis where exponential growth quickly leads to steric congestion. To overcome this difficulty, proportionate branching in dendrimer growth is proposed. In proportionate branching, both the number and the length of branches increase exponentially but in opposite directions to mimic tree growth. The effectiveness of this strategy is demonstrated through the synthesis of a fluorocarbon dendron containing 243 chemically identical fluorine atoms with a MW of 9082 Da. Monodispersity is confirmed by nuclear magnetic resonance spectroscopy, mass spectrometry, and small-angle X-ray scattering. Moreover, growing different parts proportionately, as nature does, could be a general strategy to achieve defect-free synthesis of macromolecules.

Yue, Xuyi↗
DOE OSTI2023

Type 5 Wind Turbine Technology: How Synchronised, Synchronous Generation Avoids Uncertainties About Inverter Interoperability under IEEE 2800:2022

Degradation of system strength because of inverter-based resources (IBRs) is a major concern facing the zero-carbon transition. A new standard released this year, IEEE Standard 2800, attempts to codify the relationship between IBRs and the Transmission System Operator (TSO). It is apparent from IEEE 2800:2022 that there remain fundamental problems with quantifying whether source impedance (the measure of "system strength" with which the standard is concerned) will present a problem for allowing an IBR to connect. This is "because of complex interdependencies between IBR and power system characteristics". So developers are increasingly required to adopt mitigation options such as adding synchronous condensers or curtailing IBRs. A proven Type 5 (synchronous) wind turbine exists and has been running at 0.5 MW scale in a 46 MW wind farm in New Zealand since 2006 and eight turbines in Scotland since 2013. The US National Renewable Energy Laboratory (NREL) is conducting a study of the impacts on grid reliability, stability, and resilience of Type 5 wind turbines. The project has both simulation and testing tasks and will result in proposing a variable generation solution that will help system operators and utilities address all reliability and most resilience challenges in the evolving grid.

grid stability↗
DOE OSTI2013

Disruption avoidance in the SINP-Tokamak by means of electrode-biasing at the plasma edge

Control of plasma disruption by a biased edge electrode is reported in SINP-Tokamak. The features that characterize a plasma disruption are reduced with increasing bias potential. The disruption can be completely suppressed with the concomitant stabilization of observed MHD modes that are allegedly precursors of the disruption. An m = 3/n = 1 tearing mode, which apparently causes disruption can be stabilized when a negative biasing potential is applied near the edge. These changes in the disruptive behavior with edge biasing are hypothesized to be due to changes in the current density profile.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

High temperature measurement using very high shutter speed to avoid image saturation

This paper explores the adaptation of the two-colour principle to develop a high-speed colour temperature correlation system, which is able to cover a range of temperature that is challenging to achieve before. A colour digital camera has built in RGB filters. It is possible to measure the temperature from the ratio of intensity of the green and red pixels using the two-colour principle based on the expansion of the Plank’s radiation law. In this study, experiments were carried out using a temperature calibrated tungsten ribbon lamp which can be tuned to vary from 1300 to 2200°C. Using very high shutter speed and small aperture, the high-speed camera successfully captured the tungsten ribbon without image saturation at the full temperature scale. Tests have been carried out at different temperature and camera settings. The sensitivity and errors have been analysed, and experiment results demonstrate the potential of using very high shutter speed is available for measuring the temperature even beyond 2200°C.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Edge-localized mode avoidance and pedestal structure in I-mode plasmas

I-mode is a high-performance tokamak regime characterized by the formation of a temperature pedestal and enhanced energy confinement, without an accompanying density pedestal or drop in particle and impurity transport. I-mode operation appears to have naturally occurring suppression of large Edge-Localized Modes (ELMs) in addition to its highly favorable scalings of pedestal structure and overall performance. Extensive study of the ELMy H-mode has led to the development of the EPED model, which utilizes calculations of coupled peeling-ballooning MHD modes and kinetic-ballooning mode (KBM) stability limits to predict the pedestal structure preceding an ELM crash. We apply similar tools to the structure and ELM stability of I-mode pedestals. Analysis of I-mode discharges prepared with high-resolution pedestal data from the most recent C-Mod campaign reveals favorable pedestal scalings for extrapolation to large machines—pedestal temperature scales strongly with power per particle P{sub net}/n{sup ¯}{sub e}, and likewise pedestal pressure scales as the net heating power (consistent with weak degradation of confinement with heating power). Matched discharges in current, field, and shaping demonstrate the decoupling of energy and particle transport in I-mode, increasing fueling to span nearly a factor of two in density while maintaining matched temperature pedestals with consistent levels of P{sub net}/n{sup ¯}{sub e}. This is consistent with targets for increased performance in I-mode, elevating pedestal β{sub p} and global performance with matched increases in density and heating power. MHD calculations using the ELITE code indicate that I-mode pedestals are strongly stable to edge peeling-ballooning instabilities. Likewise, numerical modeling of the KBM turbulence onset, as well as scalings of the pedestal width with poloidal beta, indicates that I-mode pedestals are not limited by KBM turbulence—both features identified with the trigger for large ELMs, consistent with the observed suppression of large ELMs in I-mode.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Dissociation energies and potential energy functions for the ground X {sup 1}Σ{sup +} and “avoided-crossing” A {sup 1}Σ{sup +} states of NaH

A direct-potential-fit analysis of all accessible data for the A {sup 1}Σ{sup +} − X {sup 1}Σ{sup +} system of NaH and NaD is used to determine analytic potential energy functions incorporating the correct theoretically predicted long-range behaviour. These potentials represent all of the data (on average) within the experimental uncertainties and yield an improved estimate for the ground-state NaH well depth of D{sub e} = 15797.4 (±4.3) cm{sup −1}, which is ∼20 cm{sup −1} smaller than the best previous estimate. The present analysis also yields the first empirical determination of centrifugal (non-adiabatic) and potential-energy (adiabatic) Born-Oppenheimer breakdown correction functions for this system, with the latter showing that the A-state electronic isotope shift is −1.1(±0.6) cm{sup −1} going from NaH to NaD.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Avoiding fractional electrons in subsystem DFT based ab-initio molecular dynamics yields accurate models for liquid water and solvated OH radical

In this work we achieve three milestones: (1) we present a subsystem DFT method capable of running ab-initio molecular dynamics simulations accurately and efficiently. (2) In order to rid the simulations of inter-molecular self-interaction error, we exploit the ability of semilocal frozen density embedding formulation of subsystem DFT to represent the total electron density as a sum of localized subsystem electron densities that are constrained to integrate to a preset, constant number of electrons; the success of the method relies on the fact that employed semilocal nonadditive kinetic energy functionals effectively cancel out errors in semilocal exchange–correlation potentials that are linked to static correlation effects and self-interaction. (3) We demonstrate this concept by simulating liquid water and solvated OH{sup •} radical. While the bulk of our simulations have been performed on a periodic box containing 64 independent water molecules for 52 ps, we also simulated a box containing 256 water molecules for 22 ps. The results show that, provided one employs an accurate nonadditive kinetic energy functional, the dynamics of liquid water and OH{sup •} radical are in semiquantitative agreement with experimental results or higher-level electronic structure calculations. Our assessments are based upon comparisons of radial and angular distribution functions as well as the diffusion coefficient of the liquid.

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

Avoiding pitfalls in molecular simulation of vapor sorption: Example of propane and isobutane in metal–organic frameworks for adsorption cooling applications

This study introduces recommendations for conducting molecular simulations of vapor adsorption, with an emphasis on enhancing the accuracy, reproducibility, and comparability of results. The first aspect we address is consistency in the implementation of some details of typical molecular models, including tail corrections and cutoff distances, due to their significant influence on generated data. We highlight the importance of explicitly calculating the saturation pressures at relevant temperatures using methods such as Gibbs ensemble Monte Carlo simulations and illustrate some pitfalls in extrapolating saturation pressures using this method. For grand canonical Monte Carlo (GCMC) simulations, the input fugacity is usually calculated using an equation of state, which often requires the critical parameters of the fluid. We show the importance of using critical parameters derived from the simulation with the same model to ensure internal consistency between the simulated explicit adsorbate phase and the implicit bulk phase in GCMC. We show the advantages of presenting isotherms on a relative pressure scale to facilitate easier comparison among models and with experiment. Extending these guidelines to a practical case study, we evaluate the performance of various isoreticular metal–organic frameworks (MOFs) in adsorption cooling applications. This includes examining the advantages of using propane and isobutane as working fluids and identifying MOFs with a superior performance.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Integrated modeling of advanced tokamaks for tearing mode avoidance on DIII-D

Understanding the physics of the onset and evolution of tearing modes (TMs) in tokamak plasmas is crucial for high-performance steady-state operations. The onset condition of (m,n) = (2,1) tearing stability, $Δ′$ > $Δ_c^′$> 0, has been studied in DIII-D steady-state hybrid discharges with accurate equilibrium reconstruction and well-measured plasma profiles. Here, m is the poloidal mode number and n is the toroidal mode number. The onset of n = 1 TMs is carefully identified using the Mirnov array to determine in-phase signals for the onset time and using electron cyclotron emission measurements to trace back from the saturated island width in the experiments for both initial island width and its growth rate. The tearing stability index $Δ′$ at TM onset is calculated in multiple ways, using the modified Rutherford equation and using the PEST-III or resistive DCON magnetohydrodynamic codes, and the results are in reasonable agreement with each other. The calculated $Δ′$ is compared with an analytical formula of the tearing stability threshold $Δ_c^′$ to determine the condition for the mode onset, $Δ′$ > $Δ_c^′$. Finally, the local gradient effect of the plasma current and the pressure profiles on the tearing stability is investigated in terms of the difference between $Δ′$ and $Δ_c^′$ through a series of modeled equilibria with the parametric variations. A database of experimental mode instability onsets is compatible with the simulated regions of instability obtained from the parametric variations.

Linear stability analysis↗
DOE OSTI2018

Avoided land use conversions and carbon loss from conservation purchases in California

Conversion of natural lands to residential and agricultural uses can limit carbon (C) storage. Conservation measures, such as purchasing land to prevent development, can preserve stored aboveground C. Furthermore, since it is difficult to know what would happen to the land in the absence of conservation interventions, the additional carbon benefit of these programs remains unknown. Therefore, we analyzed 73 coastal parcels (292,184 total acres) acquired by the California State Coastal Conservancy (SCC) and developed counterfactual scenarios to highlight the impact of conservation actions. We found that an additional 55 * 10 3 Mg aboveground C (1.357% of the total stored carbon) was protected. The methodology we develop here, which incorporates expert opinion and neighboring land conversion trends, effectively evaluates the impact of conservation purchases to prevent land conversion, and could be used to measure changes of various ecosystem services.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

How to avoid a swift kick in the chameleons

Recently, it was argued that the conformal coupling of the chameleon to matter fields created an issue for early universe cosmology. As standard model degrees of freedom become non-relativistic in the early universe, the chameleon is attracted towards a ''surfing'' solution, so that it arrives at the potential minimum with too large a velocity. This leads to rapid variations in the chameleon's mass and excitation of high energy modes, casting doubts on the classical treatment at Big Bang Nucleosynthesis. Here we present the DBI chameleon, a consistent high energy modification of the chameleon theory that dynamically renders it weakly coupled to matter during the early universe thereby eliminating the adverse effects of the 'kicks'. This is done without any fine tuning of the coupling between the chameleon and matter fields, and retains its screening ability in the solar system. We demonstrate this explicitly with a combination of analytic and numerical results.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Avoiding biases in binned fits

Abstract Binned maximum likelihood fits are an attractive option when analysing large datasets, but require care when computing likelihoods of continuous PDFs in bins.For many years the widely used statistical modelling package evaluated probabilities at the bin centre, leading to significant biases for strongly curved probability density functions.We demonstrate the biases with real-world examples, and introduce a PDF class to that removes these biases.The physics and computation performance of this new class are discussed.

Instruments & Instrumentation↗