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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 163 records · Page 9

Polarization-based coding/encryption using organic charge-transfer materials

A charge-transfer material enables patterning approach where the polarization angle in stand-alone films can be precisely defined at the single pixel level and reconfigured following initial alignment. This capability enables new routes for non-binary information storage, retrieval, and intrinsic encryption, and it suggests future technologies such as photonic chips that can be reconfigured using non-contact patterning.

Kaehr, Bryan James↗

FG nucleoporins feature unique patterns that distinguish them from other IDPs

FG nucleoporins (FG Nups) are intrinsically disordered proteins and are the putative regulators of nucleocytoplasmic transport. They allow fast, yet selective, transport of molecules through the nuclear pore complex, but the underlying mechanism of nucleocytoplasmic transport is not yet fully discovered. As a result, FG Nups have been the subject of extensive research in the past two decades. Although most studies have been focused on analyzing the conformation and function of FG Nups from a biophysical standpoint, some recent studies have investigated the sequence-function relationship of FG Nups, with a few investigating amino acid sequences of a large number of FG Nups to understand common characteristics that might enable their function. Previously, we identified an evolutionarily conserved feature in FG Nup sequences, which are extended subsequences with low charge density, containing only positive charges, and located toward the N-terminus of FG Nups. We named these patterns longest positive like charge regions (lpLCRs). These patterns are specific to positively charged residues, and negatively charged residues do not demonstrate such a pattern. In this study, we compare FG Nups with other disordered proteins obtained from the DisProt and UniProt database in terms of presence of lpLCRs. Our results show that the lpLCRs are virtually exclusive to FG Nups and are not observed in other disordered proteins. Also, lpLCRs are what differentiate FG Nups from DisProt proteins in terms of charge distribution, meaning that excluding lpLCRs from the sequences of FG Nups make them similar to DisProt proteins in terms of charge distribution. We also previously showed the biophysical effect of lpLCRs in conformation of FG Nups. The results of this study are in line with our previous findings and imply that lpLCRs are virtually exclusive and functionally significant characteristics of FG Nups and nucleocytoplasmic transport.

59 BASIC BIOLOGICAL SCIENCES↗

Noise-specific beating in the higher-level Ramsey curves of a transmon qubit

We report: in the higher levels of superconducting transmon devices and more generally charge sensitive devices, T 2 * measurements made in the presence of low-frequency time-correlated 1/f charge noise and quasiparticle-induced parity flips can give an underestimation of the total dephasing time. The charge variations manifest as beating patterns observed in the overlay of several Ramsey fringe curves and are reproduced with a phenomenological Ramsey curve model, which accounts for the charge variations. T 2 * dephasing times, which more accurately represent the total dephasing time, are obtained. The phenomenological model is compared with a Lindblad master equation model. Both models are found to be in agreement with one another and the experimental data. Finally, the phenomenological formulation enables a simple method in which the power spectral density for the low-frequency noise can be inferred from the overlay of several Ramsey curves.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

From machine learning to chemical insight: Darwinian chance and the stability of charge carriers in flow batteries

In chemistry, rationalizing and predicting reaction behavior in complex environments is challenging, but this knowledge is required for practical applications and materials advancement. Here, we focus on one such example that uses organic molecules as redox-active materials in electrochemical energy storage. In flow batteries, these molecules (also known as redoxmers) serve as charge carriers, and exceptional chemical stability in all states of charge is required for long-term use. Here, we show how machine learning combined with chemist's knowledge can be used to reveal patterns in the reactivity of charged redoxmers by providing mechanistically tractable clues.

25 ENERGY STORAGE↗

Lattice Boltzmann modelling of the coupling between charge transport and electrochemical reactions in a solid oxide fuel cell with a patterned anode

A fundamental understanding of the electrochemical reactions and the associated transport processes in electrodes of solid oxide fuel cells (SOFCs) is critical to the development of new electrode materials. To date, however, our understanding of the electrode processes is still very limited due to the lack of well-designed experiments and carefully-validated predictive models. To facilitate studies in this area, we have developed a numerical model that has taken into consideration of the coupling between the transport of mobile charged species (e.g., ions and electrons) in conducting phases and the electrochemical reactions at the three phase boundaries of an SOFC anode. The validity of this model has been confirmed by the electrochemical performance of test cells with a patterned anode consisting of well-defined electronic and ionic conducting phases. The model is then applied to quantifying the factors that critically influence the performance of a patterned anode, resulting in three key dimensionless parameters governing the coupling of transport and reactions in the anode: the ratio of electronic-to-ionic conductivity (σ el /σ ion ), the dimensionless exchange current density (i ex /i 0 ), and the dimensionless electric potential (Fφ 0 /RT). In particular, it is found that only i ex /i 0 and Fφ 0 /RT play a significant role under typical SOFC operating conditions: anode performance increases with the increase in i ex /i 0 and Fφ 0 /RT. Accordingly, we have constructed a phase map to demonstrate the combined effect of i ex /i 0 and Fφ 0 /RT, which is helpful for rational design and operation of SOFC patterned electrodes of different materials and geometries. More importantly, our present model is also applicable to the study of actual porous SOFC electrodes with known 3D microstructures.

08 HYDROGEN↗

Merging Dog-leg for Including the Second Gun in the NSLS-II Linear Accelerator

The low-energy part of the NSLS-II linear accelerator begins with the 100-keV gun, which is the key component for the injector performance. The gun electronics determine the generated bunch patterns, emittance, energy spread and charge transport efficiency in the low-energy part of the injector. We proposed to include a second gun to the NSLS-II linac. This upgrade will: a) increase reliability of the NSLS-II accelerator complex and, b) enable more efficient operations in generating complex bunch patterns. The latter is critical since for supporting complex bunch patterns the same gun must be able to switch robustly between single- and multi-bunch modes within the time interval between the top-off cycles. Including the 2nd gun, operating exclusively in the single-bunch mode, would greatly simplify switching between the modes as well as reduce beam charge losses. We designed the NSLS-II linac tunnel so there is a small extra room for the second gun that we proposed to introduce into the main linac via a short dog-leg. To minimize the additional space the dog-leg must be very short and parameters of the dog-leg optical components must stay within reasonable field and gradient values.

43 PARTICLE ACCELERATORS↗

Charging of flexible solar array substrates in kilovolt electron beams

A series of survey tests were conducted to evaluate samples of flexible solar arrays. The samples used woven carbon fibers and/or coatings to increase the surface conductivity of the KAPTON substrate and thereby reduce surface charging. Four different samples were evaluated by exposing them to monoenergetic electron beams of 2 to 20 KeV at a current density of 1 nA sq cm. Simulated eclipse tests were also conducted. The results were as expected; the more continuous the conductive pattern, the lower the surface charging.

Staskus, J. V.↗

EVI-Pro for Bogota Columbia [Slides]

The transportation sector is one of the largest producers of greenhouse gas emissions globally, with 37% of global CO 2 emissions in 2021 according to the International Energy Agency. Transitioning from internal combustion engine vehicles powered by fossil fuels to electrified transportation is a critical component in reducing those emissions significantly over the coming decades and avoiding the worst consequences of climate change. With governments and automakers increasingly announcing electrification targets and a progression away from the production and sale of internal combustion engine vehicles, a robust network of charging infrastructure must be built to enable the widespread use of electric vehicles (EVs). Some of the greatest hurdles to EV deployment are linked to the buildout of the required charging infrastructure including where it should be built, what types and how much charging would be optimal given high costs of installation, and the impact on the electrical grid. To this end, the National Renewable Energy Laboratory (NREL) conducts extensive research on EV deployment, including the development of the EVI-Pro model used to plan the future buildout of charging infrastructure given the travel patterns in a region. This document summarizes work done by NREL in the Bogotá, Colombia region to help Colombia plan for its EV deployment goals.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Coded Aperture Imaging for Fluorescent X-rays-Biomedical Applications

Employing a coded aperture pattern in front of a charge couple device pixilated detector (CCD) allows for imaging of fluorescent x-rays (6-25KeV) being emitted from samples irradiated with x-rays. Coded apertures encode the angular direction of x-rays and allow for a large Numerical Aperture x- ray imaging system. The algorithm to develop the self-supported coded aperture pattern of the Non Two Holes Touching (NTHT) pattern was developed. The algorithms to reconstruct the x-ray image from the encoded pattern recorded were developed by means of modeling and confirmed by experiments. Samples were irradiated by monochromatic synchrotron x-ray radiation, and fluorescent x-rays from several different test metal samples were imaged through the newly developed coded aperture imaging system. By choice of the exciting energy the different metals were speciated.

07 ISOTOPE AND RADIATION SOURCES↗

A Comparative Study of Straight-Strip and Zigzag-Interleaved Anode Patterns for MPGD Readouts

Due to their simplicity and versatility of design, straight strip or rectangular pad anode structures are frequently employed with micro-pattern gas detectors to reconstruct high precision space points for various tracking applications. The particle impact point is typically determined by interpolating the charge collected by several neighboring strips. However, to effectively extract the inherent positional information, the lateral spacing of the straight strips must be comparable to or preferably smaller than the full extent of the incident charge cloud. In contrast, highly interleaved anode patterns, such as zigzags, can adequately sample the incident charge with a pitch appreciably larger than the charge cloud.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Roll-to-roll light directed electrophoretic deposition system and method

A roll-to-roll light directed electrophoretic deposition system and method advances a roll of a flexible electrode web substrate along a roll-to-roll process path, where a material source is positioned to provide on the flexible electrode web substrate a thin film colloidal dispersion of electrically charged colloidal material dispersed in a fluid. A counter electrode is also positioned to come in contact with the thin film colloidal dispersion opposite the flexible electrode web substrate, where one of the counter electrode and the flexible electrode web substrate is a photoconductive electrode. A voltage source is connected to produce an electric potential between the counter electrode and the flexible electrode web substrate to induce electrophoretic deposition on the flexible electrode web substrate when the photoconductive electrode is rendered conductive, and a patterned light source is arranged to illuminate the photoconductive electrode with a light pattern and render conductive illuminated areas of the photoconductive electrode so that a patterned deposit of the electrically charged colloidal material is formed on the flexible electrode web substrate.

42 ENGINEERING↗

WE-FG-BRB-04: RBEs for Human Lung Cancer Cells Exposed to Protons and Heavier Ions: Implications for Clinical Use of Charged Particles in Cancer Therapy

The physical pattern of energy deposition and the enhanced relative biological effectiveness (RBE) of protons and carbon ions compared to photons offer unique and not fully understood or exploited opportunities to improve the efficacy of radiation therapy. Variations in RBE within a pristine or spread out Bragg peak and between particle types may be exploited to enhance cell killing in target regions without a corresponding increase in damage to normal tissue structures. In addition, the decreased sensitivity of hypoxic tumors to photon-based therapies may be partially overcome through the use of more densely ionizing radiations. These and other differences between particle and photon beams may be used to generate biologically optimized treatments that reduce normal tissue complications. In this symposium, speakers will examine the impact of the RBE of charged particles on measurable biological endpoints, treatment plan optimization, and the prediction or retrospective assessment of treatment outcomes. In particular, an AAPM task group was formed to critically examine the evidence for a spatially-variant RBE in proton therapy. Current knowledge of proton RBE variation with respect to dose, biological endpoint, and physics parameters will be reviewed. Further, the clinical relevance of these variations will be discussed. Recent work focused on improving simulations of radiation physics and biological response in proton and carbon ion therapy will also be presented. Finally, relevant biology research and areas of research needs will be highlighted, including the dependence of RBE on genetic factors including status of DNA repair pathways, the sensitivity of cancer stem-like cells to charged particles, the role of charged particles in hypoxic tumors, and the importance of fractionation effects. In addition to the physical advantages of protons and more massive ions over photons, the future application of biologically optimized treatment plans and their potential to provide higher levels of local tumor control and improved normal tissue sparing will be discussed. Learning Objectives: To assess whether the current practice of a constant RBE of 1.1 should be revised or maintained in proton therapy and to evaluate the potential clinical consequences of delivering RBE-weighted dose distributions based on variable RBE To review current research on biological models used to predict the increased biological effectiveness of proton and carbon ions to help move towards a practical understanding and implementation of biological optimization in particle therapy To discuss potential differences in biological mechanisms between photons and charged particles (light and heavy ions) that could impact clinical cancer therapy H. Paganetti, NCI U19 CA21239D. Grosshans, Our research is supported by the NCIK. Held, Funding Support: National Cancer Institute of the National Institutes of Health, USA, under Award Number R21CA182259 and Federal Share of Program Income Earned by Massachusetts General Hospital on C06CA059267, Proton Therapy Research and Treatment Center.

60 APPLIED LIFE SCIENCES↗

Wake potential in graphene-insulator-graphene composite systems

We study the wake potential produced by an external charged particle that moves parallel to various sy1-Al2O3-sy2 sandwich-like composites, where the system syi (with i=1,2) may be vacuum, pristine graphene, or doped graphene. The effective dielectric function of the composites is obtained using three complementary methods for graphene's electronic response, based on the massless Dirac fermions (MDF) method, the extended hydrodynamic (eHD) model, and the ab initio approach. Three velocity regimes are explored with respect to the threshold for excitations of the Dirac plasmon in graphene, given by its Fermi velocity vF. In the low-velocity regime (below vF), only the transverse optical (TO) phonons in the Al2O3 layer contribute to the wake potential in the surface with sy2 (which is nearest to the charged particle), in a manner that is only sensitive to the composition of that system: if sy2 is vacuum, the TO phonons give rise to intense oscillations in the wake potential, which are strongly suppressed if sy2 is pristine or doped graphene. For intermediate velocities (above vF), the hybridized plasmon-TO phonon modes on both surfaces contribute to the wake potential in the surface with sy2, with the most dominant contribution coming from the hybridized Dirac-like plasmonic modes. In the high-velocity regime (well above vF), the highest-lying hybridized Dirac plasmon gives the dominant contribution to the wake potential, which exhibits a typical V-shaped wave-front pattern that lags behind the charged particle. It is found that the MDF method agrees very well with the results of the ab initio method for small and intermediate velocities. However, in the high-velocity regime, the high-energy π plasmon in graphene introduces new features in the wake potential in the form of fast oscillations, just behind the charged particle. Those oscillations in the wake potential are well described by both the eHD and the ab initio method, proving that the π plasmon indeed behaves as a collective mode.

60 APPLIED LIFE SCIENCES↗

Modeling Electric Vehicle Charging Load Using Origin-Destination Data

The accelerating adoption of electric vehicles (EVs) poses challenges to the power grid, necessitating precise representation of mobility patterns for effective infrastructure upgrades. Traditional simulation-based charging demand estimation faces limitations in generating trip chains reflective of actual travel patterns without complex network modeling. Hence, an innovative agent-based trip chain generation model is introduced to overcome these challenges. Drawing from the National Household Travel Survey (NHTS) and the NextGen NHTS origin-destination add-on data for Clarke County, Georgia, this study proposes a simulation method capturing both temporal and spatial mobility patterns without relying on extensive network topology data. The resulting trip chains predict EV charging load at the Census Block Group level, validated with a 1.03 correlation to actual trip counts, affirming their reflective accuracy. Two charging scenarios, residential-only and charging-everywhere, reveal distinct demand profiles. The charging-everywhere scenario aligns closely with the trip profile, while the residential-only scenario exhibits an afternoon peak slightly surpassing the former. This study contributes a data-driven charging demand estimation methodology, offering critical insights for grid resiliency planning amid the evolving landscape of EV adoption.

Pan, Melrose↗

Capacitance enhancement via electrode patterning

The necessity of increasing the energy density in electric double layer capacitors to meet current demand is fueling fundamental and applied research alike. We report here molecular dynamics simulation results for aqueous electrolytes near model electrodes. Particular focus is on the effect of electrode patterning on the structure of interfacial electrolytes, and on the potential drop between the solid electrodes and the bulk electrolytes. The latter is estimated by numerically integrating the Poisson equation using the charge densities due to water and ions accumulated near the interface as input. We considered uniform and patterned electrodes, both positively and negatively charged. The uniformly charged electrodes are modeled as graphite. The patterned ones are obtained by removing carbon atoms from the top-most graphene layer, yielding nanoscopic squares and stripes patterns. For simplicity, the patterned electrodes are effectively simulated as insulators (the charge remains localized on the top-most layer of carbon atoms). Our simulations show that the patterns alter the structure of water and the accumulation of ions at the liquid-solid interfaces. Using aqueous NaCl solutions, we found that while the capacitance calculated for three positively charged electrodes did not change much, that calculated for the negatively charged electrodes significantly increased upon patterning. We find that both water structure and orientation, as well as ion accumulation affect the capacitance. As electrode patterning affects differently water structure and ion accumulation, it might be possible to observe ion-specific effects. These results could be useful for advancing our understanding of electric double layer capacitors, capacitive desalination processes, as well as of fundamental interfacial electrolytes properties.

36 MATERIALS SCIENCE↗

Structural originations of irreversible capacity loss from highly lithiated copper oxides

We use electrochemistry, high-energy X-ray diffraction (XRD) with pair-distribution function analysis (PDF), and density functional theory (DFT) to study the instabilities of Li{sub 2}CuO{sub 2} at varying state of charge. Rietveld refinement of XRD patterns revealed phase evolution from pure Li{sub 2}CuO{sub 2} body-centered orthorhombic (Immm) space group to multiphase compositions after cycling. The PDF showed CuO{sub 4} square chains with varying packing during electrochemical cycling. Peaks in the G(r) at the Cu-O distance for delithiated, LiCuO{sub 2}, showed CuO{sub 4} square chains with reduced ionic radius for Cu in the 3+ state. At full depth of discharge to 1.5 V, CuO was observed in fractions greater than the initial impurity level which strongly affects the reversibility of the lithiation reactions contributing to capacity loss. DFT calculations showed electron removal from Cu and O during delithiation of Li{sub 2}CuO{sub 2}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗