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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Comparison of Optical Modelling Tools for Sunshape and Surface Slope Error

The sunshape and mirror surface slope error are two main factors that influence the characteristics of incoming and reflected solar beams in a solar concentrator. Different optical modelling tools, however, address these two factors with different methods and simplifications. In this study, simulation methods are reviewed in five optical modelling tools, namely SolTrace, Tonatiuh, Tracer, Heliosim and SolarPILOT. A series of simple test cases are simulated in each tool to compare and verify the implementation of sunshape and slope error models separately. This strategy has successfully identified discrepancies among the tools and contributed to a better understanding of their reasons. It has also uncovered few glitches in some of those tools and contributed to improve them. It is our hope that this study will help to resolve common misconceptions, to build confidence amongst CSP researches on the accuracy of tools with which they have less experience, and to ensure better agreement in optical modelling work in future.

14 SOLAR ENERGY↗
DOE OSTI2018

A Novel Interfacing Technique for Distributed Hybrid Simulations Combining EMT and Transient Stability Models

With steady increase of power electronic devices and nonlinear dynamic loads in large scale AC/DC systems, the traditional hybrid simulation method, which incorporates these components into a single EMT subsystem and hence causes great difficulty for network partitioning and significant deterioration in simulation efficiency. To resolve these issues, a novel distributed hybrid simulation method is proposed in this paper. The key to realize this method is a distinct interfacing technique, which includes: i) a new approach based on the two-level Schur complement to update the interfaces by taking full consideration of the couplings between different EMT subsystems; and ii) a combined interaction protocol to further improve the efficiency while guaranteeing the simulation accuracy. The advantages of the proposed method in terms of both efficiency and accuracy have been verified by using it for the simulation study of an AC/DC hybrid system including a two-terminal VSC-HVDC and nonlinear dynamic loads.

Distributed hybrid simulation↗
DOE OSTI2015

On the nature of the molecular ordering of water in aqueous DMSO mixtures

Computer simulation studies of aqueous dimethyl sulfoxyde (DMSO) mixtures show micro-heterogeneous structures, just like aqueous alcohol mixtures. However, there is a marked difference in the aggregate structure of water between the two types of systems. While water molecules form multiconnected globular clusters in alcohols, we report herein that the typical water aggregates in aqueous DMSO mixtures are linear, favouring a 2 hydrogen bond structure per water molecule, and for all DMSO mole fractions ranging from 0.1 to 0.9. This linear-aggregate structure produces a particular signature in the water site-site structure factors, in the form of a pre-peak at k ≈ 0.2–0.8 Å{sup −1}, depending on DMSO concentration. This pre-peak is either absent in other aqueous mixtures, such as aqueous methanol mixtures, or very difficult to see through computer simulations, such as in aqueous-t-butanol mixtures. This difference in the topology of the aggregates explains why the Kirkwood-Buff integrals of aqueous-DMSO mixture look nearly ideal, in contrast with those of aqueous alcohol mixtures, suggesting a connection between the shape of the water aggregates, its fluctuations, and the concentration fluctuations. In order to further study this discrepancy between aqueous DMSO and aqueous alcohol mixture, two models of pseudo-DMSO are introduced, where the size of the sulfur atom is increased by a factor 1.6 and 1.7, respectively, hence increasing the hydrophobicity of the molecule. The study shows that these mixtures become closer to the emulsion type seen in aqueous alcohol mixtures, with more globular clustering of the water molecules, long range domain oscillations in the water-water correlations and increased water-water Kirkwood-Buff integrals. It demonstrates that the local ordering of the water molecules is influenced by the nature of the solute molecules, with very different consequences for structural properties and related thermodynamic quantities. This study illustrates the unique plasticity of water in presence of different types of solutes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Porous Liquids as Electrolyte: A Case Study of Li + and Mg 2+ Ion Transport in Crown Ether-Based Type-II Porous Liquids

Here, we demonstrate crown ether (CE)-based type II porous liquid (PL) electrolytes in which CEs provide internal porosity and are capable of coordinating with Li + and Mg 2+ ions. We investigated the physicochemical properties of the PL electro-lytes with different functional groups and cavity sizes. Among the electrolytes studied, the 12-crown-4 (12C4)-based PL electrolyte exhibited the most enhanced ionic conductivity due to size match between the CE cavity and the Li + ion. Nu-clear magnetic resonance and Fourier transform infrared analyses revealed that addition of CEs reduces the Li + ion–solvent interaction, resulting in the formation of Li-CE complexes. The simulation study clearly showed that the solvated Li + and Mg 2+ ions form complexes with 12C4. The strategy described here using CE-based PLs should be applicable to the design versatile electrolytes for various metal-ion batteries.

Shin, Sun Hae Ra↗
DOE OSTI2019

Molecular insight into the wetting behavior and amphiphilic character of cellulose nanocrystals

The study of nanocellulose is a field of growing interest due to its many applications and its use in the development of biocompatible and eco-friendly materials. In spite of the vast number of studies in the field, many questions about the role of the molecular structure in the properties of cellulose are still subject of debate. One of these fundamental questions is the possible amphiphilic nature of cellulose and the relative role of hydrogen bonding and hydrophobic effect on the interactions of cellulose. In this work we present an extensive molecular dynamics simulation study of this question by analyzing the wetting of cellulose with water and organic solvent, its interaction with hydrophilic and hydrophobic ions and its interaction with a protein (human epidermal growth factor, hEGF). We consider two characteristic cellulose crystal planes of Iβ cellulose with very different roughness, different hydrogen bonding capability and different exposure of cellulose hydrophobic groups (the (010) plane which has exposed –OH groups and the (100) plane with buried –OH groups). Our results show that both surfaces are simultaneously hydrophilic and lipophilic, with both surfaces having very similar contact angles. In spite of the global similarity of wetting of both surfaces, the molecular details of wetting are very different and substantial local wetting heterogeneities (which strongly depend on the surface) appear for both solvents. We also observe a weak interaction of both surfaces with hydrophobic and hydrophilic solutes. These weak interactions are attributed to the simultaneous lipophilic and hydrophilic character of both (100) and (010) cellulose surfaces. Interestingly, we found a substantial interaction of both cellulose planes with polar and apolar residues of the hEGF protein.

Malaspina, David C.↗
DOE OSTI2015

Dynamics and diffusion mechanism of low-density liquid silicon

A first-order phase transition from a high-density liquid to a low-density liquid has been proposed to explain the various thermodynamic anomies of water. It also has been proposed that such liquid–liquid phase transition would exist in supercooled silicon. Computer simulation studies show that, across the transition, the diffusivity drops roughly 2 orders of magnitude, and the structures exhibit considerable tetrahedral ordering. The resulting phase is a highly viscous, low-density liquid silicon. Investigations on the atomic diffusion of such a novel form of liquid silicon are of high interest. Here we report such diffusion results from molecular dynamics simulations using the classical Stillinger–Weber (SW) potential of silicon. We show that the atomic diffusion of the low-density liquid is highly correlated with local tetrahedral geometries. We also show that atoms diffuse through hopping processes within short ranges, which gradually accumulate to an overall random motion for long ranges as in normal liquids. There is a close relationship between dynamical heterogeneity and hopping process. We point out that the above diffusion mechanism is closely related to the strong directional bonding nature of the distorted tetrahedral network. Here, our work offers new insights into the complex behavior of the highly viscous low density liquid silicon, suggesting similar diffusion behaviors in other tetrahedral coordinated liquids that exhibit liquid–liquid phase transition such as carbon and germanium.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Coupling of radiation and grain boundary corrosion in SiC

Abstract Radiation and corrosion can be coupled to each other in non-trivial ways and such coupling is of critical importance for the performance of materials in extreme environments. However, it has been rarely studied in ceramics and therefore it is not well understood to what extent these two phenomena are coupled and by what mechanisms. Here, we discover that radiation-induced chemical changes at grain boundaries of ceramics can have a significant (and positive) impact on the corrosion resistance of these materials. Specifically, we demonstrate using a combination of experimental and simulation studies that segregation of C to grain boundaries of silicon carbide leads to improved corrosion resistance. Our results imply that tunning of stoichiometry at grain boundaries either through the sample preparation process or via radiation-induced segregation can provide an effective method for suppressing surface corrosion.

Materials Science↗
DOE OSTI2021

Full-Wave and Circuit-Based Simulations of Cable Insulation Aging/Damage Using Time-Frequency Domain Reflectometry

This paper presents a combined full-wave and circuit-based simulation study to investigate the important topic of cable insulation aging and physical damage. The analysis employs the time-frequency domain reflectometry (TFDR) technique that combines the advantages of both time domain reflectometry (TDR) and frequency domain reflectometry (FDR) for improved location identification and feature resolution. Coaxial cable sections with a location containing insulation aging or physical damage are simulated using Ansys High Frequency Structure Simulator (HFSS). Simulated scattering (S) parameters are then imported into the Advanced Design System (ADS) solver for time domain simulation where a Gaussian windowed chirp signal or ‘chirplet’ is launched. Finally, continuous wavelet transform (CWT) is applied in MATLAB to perform time-frequency analysis of the reflected waveforms. The results reveal that a small change in the relative permittivity of the insulation or the presence of a small point of physical damage on the insulation is reflected as a considerable change in the CWT magnitude demonstrating the efficacy of the method.

cable aging, Non Destructive Examination, time-fre↗
DOE OSTI2016

Analytical modeling and numerical simulation of the short-wave infrared electron-injection detectors

This paper describes comprehensive analytical and simulation models for the design and optimization of the electron-injection based detectors. The electron-injection detectors evaluated here operate in the short-wave infrared range and utilize a type-II band alignment in InP/GaAsSb/InGaAs material system. The unique geometry of detectors along with an inherent negative-feedback mechanism in the device allows for achieving high internal avalanche-free amplifications without any excess noise. Physics-based closed-form analytical models are derived for the detector rise time and dark current. Our optical gain model takes into account the drop in the optical gain at high optical power levels. Furthermore, numerical simulation studies of the electrical characteristics of the device show good agreement with our analytical models as well experimental data. Performance comparison between devices with different injector sizes shows that enhancement in the gain and speed is anticipated by reducing the injector size. Sensitivity analysis for the key detector parameters shows the relative importance of each parameter. The results of this study may provide useful information and guidelines for development of future electron-injection based detectors as well as other heterojunction photodetectors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Measurement of effect of electron cyclotron heating in a tandem mirror plasma using a semiconductor detector array and an electrostatic energy analyzer

Temporally and spatially resolved soft x-ray and end-loss-electron analyses of the electron cyclotron heated plasmas are carried out by using a semiconductor detector array and an electrostatic energy analyzer in the GAMMA 10 tandem mirror. The flux and the energy spectrum of the end loss electrons are measured by a multi-grid energy analyzer. Recently, the electron cyclotron heating power modulation experiments have been started in order to generate and control the high heat flux and to make the edge localized mode-like intermittent heat load pattern for the divertor simulation studies by the use of these detectors for electron properties.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Cosmic Muon Veto for the mini-ICAL detector at IICHEP, Madurai

A 51-kiloton magnetised Iron Calorimeter (ICAL) detector, using Resistive Plate Chambers (RPCs) as active detector elements, aims to study atmospheric neutrinos. A prototype - 1/600 of the weight of ICAL, called mini-ICAL was installed in the INO transit campus at Madurai. A modest proof-of-principle cosmic muon veto detector of about 1 m × 1 m × 0.3 m dimensions was setup a few years ago, using scintillator paddles. The measured cosmic muon veto efficiency of 99.98% and simulation studies of muon-induced background events in the ICAL detector surrounded by an efficient veto detector were promising. This led to the idea of constructing a bigger cosmic muon veto around the mini-ICAL detector. Details of the design and construction of the detector including the electronics, trigger and DAQ systems planned will be briefly presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Applying Best Practices to Florida Local Government Retrofit Programs

In some communities, local government and non-profit entities have funds to purchase and renovate distressed, foreclosed homes for resale in the affordable housing market. Numerous opportunities to improve whole house energy efficiency are inherent in these comprehensive renovations. BA-PIRC worked together in a multi-year field study making recommendations in individual homes, meanwhile compiling improvement costs, projected energy savings, practical challenges, and labor force factors surrounding common energy-related renovation measures. The field study, Phase 1 of this research, resulted in a set of best practices appropriate to the current labor pool and market conditions in central Florida to achieve projected annual energy savings of 15-30% and higher. This report describes Phase 2 of the work where researchers worked with a local government partner to implement and refine the 'current best practices.' A simulation study was conducted to characterize savings potential under three sets of conditions representing varying replacement needs for energy-related equipment and envelope components. The three scenarios apply readily to the general remodeling industry as for renovation of foreclosed homes for the affordable housing market. Our new local government partner, the City of Melbourne, implemented the best practices in a community-scale renovation program that included ten homes in 2012.

30% SAVINGS↗
DOE OSTI2014

Applying Best Practices to Florida Local Government Retrofit Programs, Central Florida (Fact Sheet)

In some communities, local government and non-profit entities have funds to purchase and renovate distressed, foreclosed homes for resale in the affordable housing market. Numerous opportunities to improve whole house energy efficiency are inherent in these comprehensive renovations. BA-PIRC worked together in a multi-year field study making recommendations in individual homes, meanwhile compiling improvement costs, projected energy savings, practical challenges, and labor force factors surrounding common energy-related renovation measures. The field study, Phase 1 of this research, resulted in a set of best practices appropriate to the current labor pool and market conditions in central Florida to achieve projected annual energy savings of 15-30% and higher. This report describes Phase 2 of the work where researchers worked with a local government partner to implement and refine the "current best practices". A simulation study was conducted to characterize savings potential under three sets of conditions representing varying replacement needs for energy-related equipment and envelope components. The three scenarios apply readily to the general remodeling industry as for renovation of foreclosed homes for the affordable housing market. Our new local government partner, the City of Melbourne, implemented the best practices in a community-scale renovation program that included ten homes in 2012.

30% SAVINGS↗
DOE OSTI2013

Applying Best Practices to Florida Local Government Retrofit Programs

In some communities, local government and non-profit entities have funds to purchase and renovate distressed, foreclosed homes for resale in the affordable housing market. Numerous opportunities to improve whole house energy efficiency are inherent in these comprehensive renovations. BA-PIRC worked together in a multiyear field study making recommendations in individual homes, meanwhile compiling improvement costs, projected energy savings, practical challenges, and labor force factors surrounding common energy-related renovation measures. The field study, Phase 1 of this research, resulted in a set of best practices appropriate to the current labor pool and market conditions in central Florida to achieve projected annual energy savings of 15%-30% and higher. This report describes Phase 2 of the work where researchers worked with a local government partner to implement and refine the "current best practices". A simulation study was conducted to characterize savings potential under three sets of conditions representing varying replacement needs for energy-related equipment and envelope components. The three scenarios apply readily to the general remodeling industry as for renovation of foreclosed homes for the affordable housing market. The new local government partner, the City of Melbourne, implemented the best practices in a community-scale renovation program that included ten homes in 2012.

30% savings↗
DOE OSTI2014

Studies on the effect of the axial magnetic field on the x-ray bremsstrahlung in a 2.45 GHz permanent magnet microwave ion source

A compact microwave ion source has been designed and developed for operation at a frequency of 2.45 GHz. The axial magnetic field is based on two permanent magnet rings, operating in the “off-resonance” mode and is tunable by moving the permanent magnets. In order to understand the electron energy distribution function, x-ray bremsstrahlung has been measured in the axial direction. Simulation studies on the x-ray bremsstrahlung have been carried out to compare with the experimental results. The effect of the axial magnetic field with respect to the microwave launching position and the position of the extraction electrode on the x-ray bremsstrahlung have been studied.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

The SiD Digital ECal Based on Monolithic Active Pixel Sensors

The SiD detector concept capitalizes on high granularity in its tracker and calorimeter to achieve the momentum resolution and particle flow calorimetry physics goals in a compact design. The collaboration has had a long interest in the potential for improved granularity in both the tracker and ECal with an application of monolithic active pixel sensors (MAPS) and a study of MAPS in the SiD ECal was described in the ILC TDR. Work is progressing on the MAPS application in an upgraded SiD design with a prototyping design effort for a common SiD tracker/ECal design based on stitched reticules to achieve 10 × 10 cm2 sensors with 25 × 100 micron2 pixels. Application of large area MAPS in these systems would limit delicate and expensive bump-bonding, provide possibilities for better timing, and should be significantly cheaper than the TDR concept due to being a more conventional CMOS foundry process. The small pixels significantly improve shower separation. Recent simulation studies confirm previous performance projections, indicating electromagnetic energy resolution based on digital hit cluster counting provides better performance than the SiD TDR analog design based on 13 mm2 pixels. Furthermore, the two shower separation is excellent down to the millimeter scale. Geant4 simulation results demonstrate these expectations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

SU-G-BRA-07: An Innovative Fiducial-Less Tracking Method for Radiation Treatment of Abdominal Tumors by Diaphragm Disparity Analysis

Purpose: To investigate the feasibility of tracking abdominal tumors without the use of gold fiducial markers Methods: In this simulation study, an abdominal 4DCT dataset, acquired previously and containing 8 phases of the breathing cycle, was used as the testing data. Two sets of DRR images (45 and 135 degrees) were generated for each phase. Three anatomical points along the lung-diaphragm interface on each of the Digital Reconstructed Radiograph(DRR) images were identified by cross-correlation. The gallbladder, which simulates the tumor, was contoured for each phase of the breathing cycle and the corresponding centroid values serve as the measured center of the tumor. A linear model was created to correlate the diaphragm’s disparity of the three identified anatomical points with the center of the tumor. To verify the established linear model, we sequentially removed one phase of the data (i.e., 3 anatomical points and the corresponding tumor center) and created new linear models with the remaining 7 phases. Then we substituted the eliminated phase data (disparities of the 3 anatomical points) into the corresponding model to compare model-generated tumor center and the measured tumor center. Results: The maximum difference between the modeled and the measured centroid values across the 8 phases were 0.72, 0.29 and 0.30 pixels in the x, y and z directions respectively, which yielded a maximum mean-squared-error value of 0.75 pixels. The outcomes of the verification process, by eliminating each phase, produced mean-squared-errors ranging from 0.41 to 1.28 pixels. Conclusion: Gold fiducial markers, requiring surgical procedures to be implanted, are conventionally used in radiation therapy. The present work shows the feasibility of a fiducial-less tracking method for localizing abdominal tumors. Through developed diaphragm disparity analysis, the established linear model was verified with clinically accepted errors. The tracking method in real time under different radiation therapy platforms will be further investigated.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Design and construction of Cosmic Muon Veto for the mini-ICAL detector at IICHEP, Madurai

A 51-kiloton magnetised Iron Calorimeter (ICAL) detector, using Resistive Plate Chambers (RPCs) as active detector elements, aims to study atmospheric neutrinos. A prototype - 1/600 of the weight of ICAL, called mini-ICAL was installed in the INO transit campus at Madurai. A modest proof-of-principle cosmic muon veto detector of about 1 m×1 m×0.3 m dimensions was set up a few years ago, using scintillator paddles. The measured cosmic muon veto efficiency of 99.98% and simulation studies of muon-induced background events in the ICAL detector surrounded by an efficient veto detector were promising. This led to the idea of constructing a bigger cosmic muon veto around the mini-ICAL detector. Details of the design, fabrication, quality control, and construction of the detector including the electronics, trigger, and DAQ systems planned will be briefly presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗