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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

From TPL assessment to design optimization: Wave energy converter control co-design applied to the RM3

The Reference Model (RM) project developed six marine energy converter concepts using a sequential design methodology, which, while widely adopted in the industry, often overlooks interactions between system components, resulting in suboptimal designs. One such example is the Reference Model 3 (RM3), a two-body point absorber wave energy converter (WEC). An assessment using the Technology Performance Level (TPL) revealed that RM3’s low power-to-cost ratio, partly due to expensive steel construction, limits its techno-economic performance. Here, this study aims to redesign RM3 by reducing its scale and employing control co-design to integrate WEC and Power Take-Off (PTO) dynamics, constraints, and cost considerations within an optimization framework. We demonstrate the limitations of RM3’s current PTO design and explore the benefits of scaling down to enhance techno-economic viability by lowering material costs. Using WecOptTool, we conduct a parameter sweep over gear ratios and spring stiffnesses for various Commercial Off-The-Shelf generators in irregular wave conditions. Our findings emphasize the importance of aligning PTO components with WEC dynamics, showing that control co-design and strategic scaling can improve RM3’s power-to-cost ratio. This study presents a transferable example of applied control co-design for other WECs, supporting early-stage developers in their design decisions.

Off the shelf components↗
DOE OSTI2014

Experimental Evaluation and Optimization of Structures for Lossless Ion Manipulations for Ion Mobility Spectrometry with Time-of-Flight Mass Spectrometry

We report on the performance of Structures for Lossless Ion Manipulation (SLIM) devices as a means for transmitting ions and performing ion mobility separations (IMS). Ions were successfully transferred from an electrospray ionization (ESI) source to the TOF MS analyzer by means of a linear SLIM device and an alternative arrangement including a 90° turn. First, the linear geometry was optimized for radial confinement by tuning RF on the central ‘rung’ electrodes and potentials on the DC-only guard electrodes. Selecting an appropriate DC guard bias (2-6 V) and RF amplitude (≥160 Vp-p at 750 kHz) resulted in the greatest ion intensities. Close to ideal IMS resolving power was maintained over a range of applied voltages. Second, the 90° turn was optimized for radial confinement by tuning the RF on the rung electrodes and DC on the guard electrodes; however, both resolving power and ion transmission showed a dependence on these voltages and the best conditions for both were > 300 Vp-p RF (685 kHz) and 7-11 V guard DC bias. Both geometries provide IMS resolving powers at the theoretical limit (R~58), showing that the negative “racetrack” effect from turning around a corner can be successfully avoided, as well as the capability for essentially lossless ion transmission.

conveyor↗
DOE OSTI2022

Optimizing Catalysis by Combining Molecular Scaling Relationships: Iron Porphyrin-Catalyzed Electrochemical Oxygen Reduction as a Case Study

Here, the present work demonstrates the generality of molecular scaling relationships toward achieving faster catalysis at lower overpotentials. In iron porphyrin-catalyzed oxygen reduction, independent tuning of the catalyst E 1/2 and buffer pK a resulted in improvement of both the maximum turnover frequency (TOF max ) and the effective overpotential (η eff ). Interestingly, the most optimal system is achieved with the most reducing catalyst and a weak buffered acid—a perhaps counterintuitive conclusion. More generally, this study illustrates a path to optimization of catalytic systems through their differing responses to changes in the intrinsic features of the system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

An energy-optimization method to study gel-swelling in confinement

Using our open-source programming environment Morpho, an energy-optimization method is developed to compute equilibrium shapes of an arbitrarily confined swollen hydrogel. The internal strains and contact forces are measured, probing its mechanics.

Joshi, Chaitanya↗
DOE OSTI2015

Surface stability and the selection rules of substrate orientation for optimal growth of epitaxial II-VI semiconductors

The surface structures of ionic zinc-blende CdTe (001), (110), (111), and (211) surfaces are systematically studied by first-principles density functional calculations. Based on the surface structures and surface energies, we identify the detrimental twinning appearing in molecular beam epitaxy (MBE) growth of II-VI compounds as the (111) lamellar twin boundaries. To avoid the appearance of twinning in MBE growth, we propose the following selection rules for choosing optimal substrate orientations: (1) the surface should be nonpolar so that there is no large surface reconstructions that could act as a nucleation center and promote the formation of twins; (2) the surface structure should have low symmetry so that there are no multiple equivalent directions for growth. These straightforward rules, in consistent with experimental observations, provide guidelines for selecting proper substrates for high-quality MBE growth of II-VI compounds.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

First-principle optimal local pseudopotentials construction via optimized effective potential method

The local pseudopotential (LPP) is an important component of orbital-free density functional theory, a promising large-scale simulation method that can maintain information on a material’s electron state. The LPP is usually extracted from solid-state density functional theory calculations, thereby it is difficult to assess its transferability to cases involving very different chemical environments. Here, we reveal a fundamental relation between the first-principles norm-conserving pseudopotential (NCPP) and the LPP. On the basis of this relationship, we demonstrate that the LPP can be constructed optimally from the NCPP for a large number of elements using the optimized effective potential method. Specially, our method provides a unified scheme for constructing and assessing the LPP within the framework of first-principles pseudopotentials. Our practice reveals that the existence of a valid LPP with high transferability may strongly depend on the element.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Magnet system optimization for segmented adaptive-gap in-vacuum undulator

Segmented Adaptive Gap in-vacuum Undulator (SAGU), in which different segments have different gaps and periods, promises a considerable spectral performance gain over a conventional undulator with uniform gap and period. According to calculations, this gain can be comparable to the gain achievable with a superior undulator technology (e.g. a room-temperature in-vacuum hybrid SAGU would perform as a cryo-cooled hybrid in-vacuum undulator with uniform gap and period). However, for reaching the high spectral performance, SAGU magnetic design has to include compensation of kicks experienced by the electron beam at segment junctions because of different deflection parameter values in the segments. Here we show that such compensation to large extent can be accomplished by using a passive correction, however, simple correction coils are nevertheless required as well to reach perfect compensation over a whole SAGU tuning range. Magnetic optimizations performed with Radia code, and the resulting undulator radiation spectra calculated using SRW code, demonstrating a possibility of nearly perfect correction, are presented.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

A comparative study of coarse-graining methods for polymeric fluids: Mori-Zwanzig vs. iterative Boltzmann inversion vs. stochastic parametric optimization

We construct effective coarse-grained (CG) models for polymeric fluids by employing two coarse-graining strategies. The first one is a forward-coarse-graining procedure by the Mori-Zwanzig (MZ) projection while the other one applies a reverse-coarse-graining procedure, such as the iterative Boltzmann inversion (IBI) and the stochastic parametric optimization (SPO). More specifically, we perform molecular dynamics (MD) simulations of star polymer melts to provide the atomistic fields to be coarse-grained. Each molecule of a star polymer with internal degrees of freedom is coarsened into a single CG particle and the effective interactions between CG particles can be either evaluated directly from microscopic dynamics based on the MZ formalism, or obtained by the reverse methods, i.e., IBI and SPO. The forward procedure has no free parameters to tune and recovers the MD system faithfully. For the reverse procedure, we find that the parameters in CG models cannot be selected arbitrarily. If the free parameters are properly defined, the reverse CG procedure also yields an accurate effective potential. Moreover, we explain how an aggressive coarse-graining procedure introduces the many-body effect, which makes the pairwise potential invalid for the same system at densities away from the training point. From this work, general guidelines for coarse-graining of polymeric fluids can be drawn.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

THE SLOAN DIGITAL SKY SURVEY STRIPE 82 IMAGING DATA: DEPTH-OPTIMIZED CO-ADDS OVER 300 deg{sup 2} IN FIVE FILTERS

We present and release co-added images of the Sloan Digital Sky Survey (SDSS) Stripe 82. Stripe 82 covers an area of ∼300 deg{sup 2} on the celestial equator, and has been repeatedly scanned 70-90 times in the ugriz bands by the SDSS imaging survey. By making use of all available data in the SDSS archive, our co-added images are optimized for depth. Input single-epoch frames were properly processed and weighted based on seeing, sky transparency, and background noise before co-addition. The resultant products are co-added science images and their associated weight images that record relative weights at individual pixels. The depths of the co-adds, measured as the 5σ detection limits of the aperture (3.''2 diameter) magnitudes for point sources, are roughly 23.9, 25.1, 24.6, 24.1, and 22.8 AB magnitudes in the five bands, respectively. They are 1.9-2.2 mag deeper than the best SDSS single-epoch data. The co-added images have good image quality, with an average point-spread function FWHM of ∼1'' in the r, i, and z bands. We also release object catalogs that were made with SExtractor. These co-added products have many potential uses for studies of galaxies, quasars, and Galactic structure. We further present and release near-IR J-band images that cover ∼90 deg{sup 2} of Stripe 82. These images were obtained using the NEWFIRM camera on the NOAO 4 m Mayall telescope, and have a depth of about 20.0-20.5 Vega magnitudes (also 5σ detection limits for point sources)

79 ASTRONOMY AND ASTROPHYSICS↗