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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 55 records · Page 3

Complex Bend II

We present a new optics solution for the Complex Bend, which offers to substantially reduce the device length by removing the dipole poles. The bending is now realized by shifting the quadrupole poles along the horizontal axis. The ring optics can be stable if a specific condition on the relationship between the shifts of focusing and defocusing poles is satisfied. This condition is described in Section 2 of this Tech note. Section 1 describes general analysis of beam transport in a shifted quadrupole. Section 3 presents a set of parameters for such a ring, assuming that a single cell of the Complex Bend consists of 2 Combined Function dipoles. Section 4 describes more realistic model of a single cell constructed with two quadrupoles shifted off their reference trajectory. Section 5 is dedicated to calculations of synchrotron radiation from Complex Bend poles. Throughout this preprint we will call the QF-D-B-D-QD-D-B-D version as Complex Bend I (CBI) and the QF-D-QD-D version as Complex Bend II (CBII).

36 MATERIALS SCIENCE↗

Spatial Stochastic Dynamics Enable Robust Cell Polarization

Although cell polarity is an essential feature of living cells, it is far from being well-understood. Using a combination of computational modeling and biological experiments we closely examine an important prototype of cell polarity: the pheromone-induced formation of the yeast polarisome. Focusing on the role of noise and spatial heterogeneity, we develop and investigate two mechanistic spatial models of polarisome formation, one deterministic and the other stochastic, and compare the contrasting predictions of these two models against experimental phenotypes of wild-type and mutant cells. We find that the stochastic model can more robustly reproduce two fundamental characteristics observed in wild-type cells: a highly polarized phenotype via a mechanism that we refer to as spatial stochastic amplification, and the ability of the polarisome to track a moving pheromone input. Moreover, we find that only the stochastic model can simultaneously reproduce these characteristics of the wild-type phenotype and the multi-polarisome phenotype of a deletion mutant of the scaffolding protein Spa2. Significantly, our analysis also demonstrates that higher levels of stochastic noise results in increased robustness of polarization to parameter variation. Furthermore, our work suggests a novel role for a polarisome protein in the stabilization of actin cables. These findings elucidate the intricate role of spatial stochastic effects in cell polarity, giving support to a cellular model where noise and spatial heterogeneity combine to achieve robust biological function.

59 BASIC BIOLOGICAL SCIENCES↗

Minimum silicon wafer thickness for ID wafering

An analytical model, based on fracture mechanics analysis, is proposed for estimating the minimum wafer thickness as a function of the diameter requirement for solar cells. The conditions under which the model can be applied are discussed with reference to the critical flaw size, the applied force, and the width of the side support. It is shown that the equivalent cantilever force applied during ID slicing can be estimated from the wafering mechanical yield data. The width of the wafer side support was found to be a significant factor in controlling the minimum allowable wafer thickness during slicing. Wafer side support width requirements were found to increase with decreasing wafer thickness.

Chen, C. P.↗

Evaluation of Models and Measurements to Estimate Solar Radiation for 1-Axis Tracking Modules at NREL’s SRRL

Solar radiation reaching photovoltaic (PV) modules on a 1-axis tracking system can be measured by reference cells or thermopiles. The former is often biased due to the reflection of solar radiation by the glass cover of the PV. The uncertainty can be moderated by applying a correction factor, as a function of solar incident angle and the refractive index of the glass, to the measurement. On the other hand, solar radiation on the inclined PV panels can be computed by transposition models using global horizontal irradiance (GHI) observations from thermopiles. This study examines the models and measurements to estimate solar radiation for 1-axis tracking modules at the National Renewable Energy Laboratory’s (NREL’s) Solar Radiation Research Laboratory (SRRL). The 1-minute plane-of-array (POA) irradiances from 2019 are computed using the observed GHIs and a transposition model developed by Perez et al. The POA irradiances are compared with the observation by an IMT reference cell and a Kipp & Zonen CM Pyranometer 22 (CMP22) thermopile. For the SRRL’s 1-axis tracking system with an annual solar energy of 2323.9 kWh/m 2 , the POA irradiance is overestimated by ~70 kWh/m 2 using the transposition model. This bias is reduced by more than 50% using the IMT measurements calibrated by a correction factor for a PV surface of antireflection coated glass.

POA irradiance↗

Evaluation of Models and Measurements to Estimate Solar Radiation for 1-Axis Tracking Modules at NREL's SRRL: Preprint

Solar radiation reaching photovoltaic (PV) modules on a 1-axis tracking system can be measured by reference cells or thermopiles. The former is often biased due to the reflection of solar radiation by the glass cover of the PV. The uncertainty can be moderated by applying a correction factor, as a function of solar incident angle and the refractive index of the glass, to the measurement. On the other hand, solar radiation on the inclined PV panels can be computed by transposition models using global horizontal irradiance (GHI) observations from thermopiles. This study examines the models and measurements to estimate solar radiation for 1-axis tracking modules at National Renewable Energy Laboratory’s (NREL’s) Solar Radiation Research Laboratory (SRRL). The 1-minute plane-of-array (POA) irradiances in 2019 are computed using the observed GHIs and a transposition model developed by Perez et al. The POA irradiances are compared with the observation by an IMT reference cell and a Kipp & Zonen CM Pyranometer 22 (CMP22) thermopile. For SRRL’s 1-axis tracking system with the annual solar energy of 2323.9 kWh/m2, the POA irradiance is overestimated by ~70 kWh/m2 using the transposition model. This bias is reduced by more than 50% using the IMT measurements calibrated by a correction factor for a PV surface of antireflection coated glass.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Adopting Biophysics Methods in Pursuit of Biogeophysical Research: Advancing the measurement and modeling of electrical signatures of microbe-mineral transformations impacting contaminant transport

This exploratory project involved laboratory experiments to investigate three hypotheses: (H1) Physics-based modeling of low-frequency dispersions (henceforth referred to as alpha) measured in broadband dielectric spectroscopy (DS) data can quantify pore-scale geometric changes impacting contaminant transport resulting from biomineralization; (H2) Physics-based modeling of high-frequency dispersions (henceforth referred to as beta) measured in broadband dielectric spectroscopy data can quantify rates of mineral growth in/on the cell wall; (H3) Application of this measurement and modeling approach can enhance geophysical interpretation of bioremediation experiments conducted at the RIFLE IFC by providing constraints on bioremediation efficiency (biomass concentration, mineral uptake within the cell wall, biomineralization rate). We tested H1 by performing DS measurements (alpha and beta range) on iron (Fe) particles of dimensions similar to microbial cells, dispersed within agar gels over a range of Fe concentrations. We have tested the ability of the physics-based modeling to predict volume concentrations of the Fe particles by assuming that the Fe particles are polarizable inclusions within an otherwise nonpolarizable medium. We evaluated the smallest volume concentration that can be detected with the DS method. Similar experiments and modeling have been performed on the sulfate-reducing bacteria D. vulgaris. Synchrotron x-ray absorption measurements were conducted to determine the local structure of biominerals coatings on D. vulgaris which were grown in the presence of different Fe concentrations. We imaged the mineral growth on cell wall using SEM. We used dielectric spectroscopy to differentiate between iron sulfide precipitates of biotic and abiotic nature. Biotic measurements were made on D. vulgaris bacteria grown in the presence of different concentrations of iron to form different thicknesses of iron sulfide precipitates around themselves and abiotic measurements were made on different concentrations of pyrrhotite particles suspended in agar. Results show a decrease in dielectric permittivity as a function of frequency for biotic minerals and an opposite trend is observed for abiotic minerals. Our results suggest that dielectric spectroscopy offers a noninvasive and fast approach for distinguishing between abiotic and biotic mineral precipitates.

54 ENVIRONMENTAL SCIENCES↗

Adopting Biophysics Methods in Pursuit of Biogeophysical Research: Advancing the Measurement and Modeling of Electrical Signatures of Microbe-Mineral Transformations Impacting Contaminant Transport (Final Report)

This exploratory project involved laboratory experiments to investigate three hypotheses: (H1) Physics-based modeling of low-frequency dispersions (henceforth referred to as alpha) measured in broadband dielectric spectroscopy (DS) data can quantify pore-scale geometric changes impacting contaminant transport resulting from biomineralization; (H2) Physics-based modeling of high-frequency dispersions (henceforth referred to as beta) measured in broadband dielectric spectroscopy data can quantify rates of mineral growth in/on the cell wall; (H3) Application of this measurement and modeling approach can enhance geophysical interpretation of bioremediation experiments conducted at the RIFLE IFC by providing constraints on bioremediation efficiency (biomass concentration, mineral uptake within the cell wall, biomineralization rate). We tested H1 by performing DS measurements (alpha and beta range) on iron (Fe) particles of dimensions similar to microbial cells, dispersed within agar gels over a range of Fe concentrations. We have tested the ability of the physics-based modeling to predict volume concentrations of the Fe particles by assuming that the Fe particles are polarizable inclusions within an otherwise nonpolarizable medium. We evaluated the smallest volume concentration that can be detected with the DS method. Similar experiments and modeling have been performed on the sulfate-reducing bacteria D. vulgaris. Synchrotron x-ray absorption measurements were conducted to determine the local structure of biominerals coatings on D. vulgaris which were grown in the presence of different Fe concentrations. We imaged the mineral growth on cell wall using SEM. We used dielectric spectroscopy to differentiate between iron sulfide precipitates of biotic and abiotic nature. Biotic measurements were made on D. vulgaris bacteria grown in the presence of different concentrations of iron to form different thicknesses of iron sulfide precipitates around themselves and abiotic measurements were made on different concentrations of pyrrhotite particles suspended in agar. Results show a decrease in dielectric permittivity as a function of frequency for biotic minerals and an opposite trend is observed for abiotic minerals. Our results suggest that dielectric spectroscopy offers a noninvasive and fast approach for distinguishing between abiotic and biotic mineral precipitates.

54 ENVIRONMENTAL SCIENCES↗

Thermal & Electrochemical Power Plant Design and Cost Estimation

Public textbook for "Thermal & Electrochemical Power Plant Design and Cost Estimation: Version#1" This public textbook is an extension of class notes from Carnegie Mellon University courses: Energy System Modeling (24-722) and Fuel Cell Systems (24-262), taught by Dr. Nicholas Siefert between 2010-2021. Textbook includes some references to class notes from Dr. Shawn Litster, Department of Mechanical Engineering, Carnegie Mellon University. Textbook covers the equilibrium and nonequilibrium thermodynamics of power systems as well as an overview of system and economic modeling of these systems. There is in-depth coverage of (a) entropy generation, (b) exergy and (c) the redox state of molecules in equilibrium with the natural environment. This textbook is integrated with other materials (such as lecture slides, solved homeworks, and solved exams) that will be posted to the PowerShare: Energy Systems Modeling group on EDX. Publication Number: DOE/NETL-2023/3913

30 DIRECT ENERGY CONVERSION↗

scPlantAnnotate: an accurate and robust transformer-based model for plant cell type annotation

Accurate cell type annotation remains a major bottleneck in plant single-cell RNA sequencing (scRNA-seq), where existing tools are often adapted from animal studies and perform sub-optimally on plant data. The lack of plant-specific computational frameworks limits the construction of plant cell atlases and downstream biological discovery. We develop and evaluate scPlantAnnotate, a Transformer-based reference annotation framework tailored for plant scRNA-seq data, and benchmark it against state-of-the-art deep learning and conventional methods across multiple plant species. Species-specific scPlantAnnotate models were trained using curated datasets from Arabidopsis thaliana, Zea mays, Oryza sativa, and Glycine max. We compared scPlantAnnotate with leading baselines under both standard random-split evaluation and a more stringent leave-one-dataset-out setting, which tests robustness to completely unseen datasets and tissue types. scPlantAnnotate consistently outperforms existing approaches across all four species under random-split evaluation. In the leave-one-dataset-out setting for A. thaliana, where performance drops markedly for all methods due to strong batch effects and dataset heterogeneity, scPlantAnnotate nonetheless achieves the highest Accuracy, Macro-F1, Balanced Accuracy, and Macro-AUROC on average and ranks first on most held-out datasets. These results demonstrate improved robustness to dataset shifts, a critical yet underexplored challenge in plant scRNA-seq analysis. A freely accessible web server enables users to annotate their own datasets using pretrained models. scPlantAnnotate provides a plant-specific, Transformer-based framework for single-cell annotation that delivers state-of-the-art performance and enhanced robustness to unseen datasets. By addressing limitations of existing tools and enabling scalable reference-based annotation, scPlantAnnotate supports the development of comprehensive plant cell atlases and facilitates broader use of single-cell genomics in plant biology.

Bioinformatics↗

Fuel cells and the theory of metals.

Metal theory is used to study the role of metal catalysts in electrocatalysis, with particular reference to alkaline hydrogen-oxygen fuel cells. Use is made of a simple model, analogous to that used to interpret field emission in vacuum. Theoretical values for all the quantities in the Tafel equation are obtained in terms of bulk properties of the metal catalysts (such as free electron densities and Fermi level). The reasons why some processes are reversible (H-electrodes) and some irreversible (O-electrodes) are identified. Selection rules for desirable properties of catalytic materials are established.

Bocciarelli, C. V.↗

Conserved chromatin and repetitive patterns reveal slow genome evolution in frogs

Frogs are an ecologically diverse and phylogenetically ancient group of anuran amphibians that include important vertebrate cell and developmental model systems, notably the genus Xenopus. Here we report a high-quality reference genome sequence for the western clawed frog, Xenopus tropicalis, along with draft chromosome-scale sequences of three distantly related emerging model frog species, Eleutherodactylus coqui, Engystomops pustulosus, and Hymenochirus boettgeri. Frog chromosomes have remained remarkably stable since the Mesozoic Era, with limited Robertsonian (i.e., arm-preserving) translocations and end-to-end fusions found among the smaller chromosomes. Conservation of synteny includes conservation of centromere locations, marked by centromeric tandem repeats associated with Cenp-a binding surrounded by pericentromeric LINE/L1 elements. This work explores the structure of chromosomes across frogs, using a dense meiotic linkage map for X. tropicalis and chromatin conformation capture (Hi-C) data for all species. Abundant satellite repeats occupy the unusually long (~20 megabase) terminal regions of each chromosome that coincide with high rates of recombination. Both embryonic and differentiated cells show reproducible associations of centromeric chromatin and of telomeres, reflecting a Rabl-like configuration. Our comparative analyses reveal 13 conserved ancestral anuran chromosomes from which contemporary frog genomes were constructed.

59 BASIC BIOLOGICAL SCIENCES↗

Self-shielding models of MICROX-2 code

The MICROX-2 is a transport theory code that solves for the neutron slowing-down and thermalization equations of a two-region lattice cell. In the previous study, a new fine-group cross section library of the MICROX-2 was generated and tested against reference calculations and measurement data. In this study, existing physics models of the MICROX-2 are reviewed and updated to improve the physics calculation performance of the MICROX-2 code, including the resonance self-shielding model and spatial self-shielding factor. The updated self-shielding models have been verified through a series of benchmark calculations against the Monte Carlo code, using homogeneous and pin cell models selected for this study. The results have shown that the updates of the self-shielding factor calculation model are correct and improve the physics calculation accuracy even though the magnitude of error reduction is relatively small. Compared to the existing models, the updates reduced the prediction error of the infinite multiplication factor by approximately 0.1 % and 0.2% for the homogeneous and pin cell models, respectively, considered in this study. (authors)

97 MATHEMATICS AND COMPUTING↗

Modeling Losses in a Three Electrode System Towards Fast Charge Control

In this work we demonstrate the applicability of a versatile separator-reference mounted electrode in a three-electrode setup to accurately capture the primary current pathway in the battery cell during operation, calibrate a porous electrode model to the individual anode and cathode potential signals, and assign the various resistances to electrochemical phenomena in the battery cell. This calibrated electrochemical model is validated using continuous rate discharges associated with highway driving scenarios in an electric vehicle, and in turn utilized to predict the local anode potential and proximity to lithium plating onset. Finally, we demonstrate the strategy associated with utilization of the model to estimate constant anode potential charging during fast charge scenarios at various rates and starting conditions as a future look to fast charge calibration development and controls.

Garrick, Taylor R. (ORCID:0000000322518129)↗

An Observation‐Driven Approach to Improve Vegetation Phenology in a Global Land Surface Model

An empirical model calibration approach is presented that aims to approximate missing biosphere processes in a global land surface model without the need for substantial model structural changes. The strategy is implemented here using the NASA Catchment‐CN land surface model and Moderate Resolution Imaging Spectroradiometer (MODIS) observations of the fraction of absorbed photosynthetically active radiation (FPAR). Existing plant functional types (PFTs) of the Catchment‐CN model are divided into three subtypes, based on the bias between the model‐simulated and MODIS‐observed FPAR. Separate sets of vegetation parameters for each subtype are then calibrated at a small number of grid cells with homogeneous, single‐PFT land cover, using MODIS FPAR reference observations from 2003 to 2009. The effectiveness of the empirical approach at improving the realism of modeled vegetation dynamics is investigated with two global model simulations for the period 2010–2016, one using the newly calibrated parameter values and the other using the original values. Globally, the calibrated parameters reduce the root mean square error (RMSE) of the modeled FPAR with respect to MODIS by 0.029 (∼10%) on average. In some regions, substantially larger RMSE reductions are achieved. RMSE reductions are primarily driven by model bias reductions, with neutral effects on the temporal correlation skill. While the empirical approach is suitable for achieving consistent model improvements, it is shown to be sensitive to the characteristics of the model error, specifically a dominance of the bias component in the case of Catchment‐CN. Ultimately, more fundamental model structural changes may be required to achieve better improvements.

J. Kolassa↗

What is the effect of LiDAR-derived DEM resolution on large-scale watershed model results?

This paper examines the effect of raster cell size on hydrographic feature extraction and hydrological modeling using LiDAR derived DEMs. LiDAR datasets for three experimental watersheds were converted to DEMs at various cell sizes. Watershed boundaries and stream networks were delineated from each DEM and were compared to reference data. Hydrological simulations were conducted and the outputs were compared. Smaller cell size DEMs consistently resulted in less difference between DEM-delineated features and reference data. However, minor differences been found between streamflow simulations resulted for a lumped watershed model run at daily simulations aggregated at an annual average. These findings indicate that while higher resolution DEM grids may result in more accurate representation of terrain characteristics, such variations do not necessarily improve watershed scale simulation modeling. Hence the additional expense of generating high resolution DEM's for the purpose of watershed modeling at daily or longer time steps may not be warranted.

99 GENERAL AND MISCELLANEOUS↗

Moment of Fluid Interface Reconstruction with Filaments [Slides]

A moving system made up of multiple fluids (e.g. air and water) may be defined by an evolving interface with a changing topology. MOF uses a piecewise linear interface reconstruction to numerically model deforming boundaries. Given a volume fraction V and reference centroid x for a material in cell Ω, we seek to find an interface Γ that exactly captures V and minimizes error in x. This differs from Volume of Fluid methods.

97 MATHEMATICS AND COMPUTING↗

Integration of the ITER Tokamak C-model with the Building Model

The pellet injector system is designed to accommodate the requirement of continuous plasma refueling during ITER Tokamak operations. Through pellet flight tubes/injection lines, the pellets can directly reach the interior of the tokamak vacuum vessel. The pellet injector system is located at a port cell outside of the Tokamak bio-shield. The plasma radiation source in the tokamak vacuum vessel, together with the highly activated surrounding water in port cells, present major radiation challenges for the pellet injector system during ITER operation and after shutdown. These sources produce a radiation field encompassing the entire Tokamak complex. The ITER neutronics reference model C-model is an ITER radiation transport model. It represents a 40 deg. regular torus sector out to the bio-shield, which consists of 38 individual systems. The Monte Carlo N-Particle (MCNP) input of the C-model consists of more than a hundred thousand cell definitions and surface definitions, and over three hundred material compositions. The latest tokamak complex MCNP model is significantly more detailed than any previous releases. It consists of 36,863 cell definitions, 57,105 surface definitions, and a total of 21 different types of materials. The C-model and tokamak building model share the bio-shield as the boundary between them. In general, the radiation fields in the building due to the plasma source during tokamak operation are determined by generating the radiation source in the inner faces of the bio-shield. An inherent limitation of this approach is that it can only approximate the directions in which streaming paths are produced through the bio-shield plugs. To better estimate the shutdown dose rate for the pellet injector system due to the plasma source, we have decided to integrate the tokamak model (C-model) with the complex building model. Both MCNP models are provided by the ITER International Organization (IO) to the Oak Ridge National Laboratory (ORNL) Radiation Transport (RT) group.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗