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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Revisiting the Fundamental Analytical Solutions of Heat and Mass Transfer: The Kernel of Multirate and Multidimensional Diffusion

There are two types of analytical solutions of temperature/concentration in and heat/mass transfer through boundaries of regularly shaped 1D, 2D, and 3D blocks. These infinite-series solutions with either error functions or exponentials exhibit highly irregular but complementary convergence at different dimensionless times, t d0 . In this paper, approximate solutions were developed by combining the error-function-series solutions for early times and the exponential-series solutions for late times and by using time partitioning at the switchover time, t d0 . The combined solutions contain either the leading term of both series for normal-accuracy approximations (with less than 0.003 relative error) or the first two terms for high-accuracy approximations (with less than 10-7 relative error) for 1D isotropic (spheres, cylinders, slabs) and 2D/3D rectangular blocks (squares, cubes, rectangles, and rectangular parallelepipeds). This rapid and uniform convergence for rectangular blocks was achieved by employing the same time partitioning with individual dimensionless times for different directions and the product of their combined 1D slab solutions. The switchover dimensionless time was determined to minimize the maximum approximation errors. Furthermore, the analytical solutions of first-order heat/mass flux for 2D/3D rectangular blocks were derived for normal-accuracy approximations. These flux equations contain the early-time solution with a three-term polynomial in √td and the late-time solution with the limited-term exponentials for rectangular blocks. The heat/mass flux equations and the combined temperature/concentration solutions form the ultimate kernel for fast simulations of multirate and multidimensional heat/mass transfer in porous/fractured media with millions of low-permeability blocks of varying shapes and sizes.

42 ENGINEERING↗
NASA NTRS2012

The Use of Satellite-Measured Aerosol Optical Depth to Constrain Biomass Burning Emissions Source Strength in a Global Model GOCART

Small particles in the atmosphere, called "atmospheric aerosol" have a direct effect on Earth climate through scattering and absorbing sunlight, and also an indirect effect by changing the properties of clouds, as they interact with solar radiation as well. Aerosol typically stays in the atmosphere for several days, and can be transported long distances, affecting air quality, visibility, and human health not only near the source, but also far downwind. Smoke from vegetation fires is one of the main sources of atmospheric aerosol; other sources include anthropogenic pollution, dust, and sea salt. Chemistry transport models (CTMs) are among the major tools for studying the atmospheric and climate effects of aerosol. Due to the considerable variation of aerosol concentrations and properties on many temporal and spatial scales, and the complexity of the processes involved, the uncertainties in aerosol effects on climate are large, as is featured in the latest report of Intergovernmental Panel on Climate Change (IPCC) in 2007. Reducing this uncertainty in the models is very important both for predicting future climate scenarios and for regional air quality forecasting and mitigation. During vegetation fires, also called biomass burning (BB) events, complex mixture of gases and particles is emitted. The amount of BB emissions is usually estimated taking into account the intensity and size of the fire and the properties of burning vegetation. These estimates are input into CTMs to simulate BB aerosol. Unfortunately, due to large variability of fire and vegetation properties, the quantity of BB emissions is very difficult to estimate and BB emission inventories provide numbers that can differ by up to the order of magnitude in some regions. Larger uncertainties in data input make uncertainties in model output larger as well. A powerful way to narrow the range of possible model estimates is to compare model output to observations. We use satellite observations of aerosol properties, specifically aerosol optical depth, which is directly proportional to the amount of aerosol in the atmosphere, and compare it to the model output. Assuming the model represents aerosol transport and particle properties correctly, the amount of BB emissions determines the simulated aerosol optical depth. In this study, we explore the regional performance of 13 commonly used emission estimates. These are each input to global Goddard Chemistry Aerosol Radiation and Transport (GOCART) model. We then evaluate how well each emission estimate reproduces the smoke aerosol optical depth measured by the MODIS instrument. We compared GOCART-simulate aerosol optical depth with that measured from the satellite for 124 fire cases around the world during 2006 and 2007. We summarize the regional performance of each emission inventory and discuss reasons for their differences by considering the assumptions made during their development. We also show that because stronger wind disperses smoke plumes more readily, in cases with stronger wind, a larger increase in emission amount is needed to increase aerosol optical depth. In quiet, low-wind-speed environments, BB emissions produce a more significant increase in aerosol optical depth, other things being equal. Using the region-specific, quantitative relationships derived in our paper, together with the wind speed obtained from another source for a given fire case, we can constrain the amount of emission required in the model to reproduce the observations. The results of this paper are useful to the developers of BB emission inventories, as they show the strengths and weaknesses of individual emission inventories in different regions of the globe, and also for modelers who use these inventories and wish to improve their model results.

Petrenko, Mariya↗
DOE OSTI2023

Hunting for gamma-ray emission from fast radio bursts

Context. Fast radio bursts (FRBs) are a recently discovered class of GHz-band, ms-duration, Jansky-level-flux astrophysical transients. Although hundreds of models have been proposed so far for FRB progenitors (the most popular ones involve magnetars), their physical origin and emission mechanism are still a mystery, making them one of the most compelling problems in astrophysics. Aims. FRBs are caused by astrophysical processes that are not yet understood. Exploring their high-energy counterpart is crucial for constraining their origin and emission mechanism. Methods. Thanks to more than 13 years of gamma-ray data collected by the Large Area Telescope on board the Fermi Gamma-ray Space Telescope, and to more than 1000 FRB events (from 561 non-repeating and 22 repeating sources), one of the largest samples created thus far, we performed the largest and deepest search for high-energy emission from FRB sources to date (between 100 MeV and 1 TeV). In addition to the analysis involving individual FRB events on different timescales (from a few seconds up to several years), we performed, for the first time, a stacking analysis on the full sample of FRB events as well as a search for triplet photons in coincidence with the radio event. Results. We do not detect significant emission, reporting the most stringent constraints, on short timescales, for the FRB-like emission from SGR 1935+2154 with E γ <10 41 erg, corresponding to a factor η < 10 7 with respect to the emitted radio energy. Similarly, for the stacked signal of steady emission from all repeaters, the obtained upper limit (UL) on the FRBs luminosity (L γ < 1.6 × 10 43 erg s -1 is more than two orders of magnitude lower than those derived from the individual sources. Finally, no individual or triplet photons have been significantly associated with FRB events. We derived the LAT ms-sensitivity to be ~0.3 ph cm -2 s -1 and constrained the gamma-ray energy E γ,δT = 1 ms ≲ 10 47 (D L /150 Mpc) 2 erg, ruling out a gamma-ray-to-radio energy ratio greater than 10 9 on ms timescales. Conclusions. The results reported here represent the most stringent UL reported so far on the high-energy emission from FRBs on short and long time scales, as well as on cumulative emission and individual photon searches. While the origin of FRBs is still unclear, our work provides important constraints for FRB modelling, which might shed light on their emission mechanism.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Association mapping across a multitude of traits collected in diverse environments in maize

Abstract Classical genetic studies have identified many cases of pleiotropy where mutations in individual genes alter many different phenotypes. Quantitative genetic studies of natural genetic variants frequently examine one or a few traits, limiting their potential to identify pleiotropic effects of natural genetic variants. Widely adopted community association panels have been employed by plant genetics communities to study the genetic basis of naturally occurring phenotypic variation in a wide range of traits. High-density genetic marker data—18M markers—from 2 partially overlapping maize association panels comprising 1,014 unique genotypes grown in field trials across at least 7 US states and scored for 162 distinct trait data sets enabled the identification of of 2,154 suggestive marker-trait associations and 697 confident associations in the maize genome using a resampling-based genome-wide association strategy. The precision of individual marker-trait associations was estimated to be 3 genes based on a reference set of genes with known phenotypes. Examples were observed of both genetic loci associated with variation in diverse traits (e.g., above-ground and below-ground traits), as well as individual loci associated with the same or similar traits across diverse environments. Many significant signals are located near genes whose functions were previously entirely unknown or estimated purely via functional data on homologs. This study demonstrates the potential of mining community association panel data using new higher-density genetic marker sets combined with resampling-based genome-wide association tests to develop testable hypotheses about gene functions, identify potential pleiotropic effects of natural genetic variants, and study genotype-by-environment interaction.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

TOKIO on ClusterStor: Connecting Standard Tools to Enable Holistic I/O Performance Analysis

At present, I/O performance analysis requires different tools to characterize individual components of the I/O subsystem, and institutional I/O expertise is relied upon to translate these disparate data into an integrated view of application performance. This process is labor-intensive and not sustainable as the storage hierarchy deepens and system complexity increases. To address this growing disparity, we have developed the Total Knowledge of I/O (TOKIO) framework to combine the insights from existing component-level monitoring tools and provide a holistic view of performance across the entire I/O stack. A reference implementation of TOKIO, pytokio, is presented here. Using monitoring tools included with Cray XC and ClusterStor systems alongside commonly deployed community-supported tools, we demonstrate how pytokio provides a lightweight foundation for holistic I/O performance analyses on two Cray XC systems deployed at different HPC centers. We present results from integrated analyses that allow users to quantify the degree of I/O contention that affected their jobs and probabilistically identify unhealthy storage devices that impacted their performance.We also apply pytokio to inspect the utilization of NERSC’s DataWarp burst buffer and demonstrate how pytokio can be used to identify users and applications who may stand to benefit most from migrating their workloads from Lustre to the burst buffer.

Lockwood, Glenn K.↗
DOE OSTI2016

Theoretical Study of 4-(Hydroxymethyl)benzoic Acid Synthesis from Ethylene and 5-(Hydroxymethyl)furoic Acid Catalyzed by Sn-BEA

A sustainable route has been confirmed for the production of terephthalic acid (PTA) from 5-(hydroxymethyl)furoic acid (HMFA) and ethylene, both of which can be derived from biomass. This process starts with the production of 4-(hydroxymethyl)benzoic acid (HMBA) from HMFA and ethylene catalyzed by Sn-BEA. The subsequent oxidation of HMBA leads to PTA. Our research introduces the results of a detailed computational investigation of the mechanism of HMBA synthesis from ethylene and HMFA mediated by Sn-BEA. Density functional theory calculations show that the formation of HMBA proceeds via Diels-Alder cycloaddition of HMFA and ethylene, which is rate-limiting, followed by Lewis acid-catalyzed dehydration. The solution-phase reaction and six different pathways in Sn-BEA, including one pathway on the Si site and five different pathways on the Sn site, are investigated for the Diels-Alder cycloaddition of HMFA and ethylene. Energy decomposition analysis (EDA) reflects that the Sn site stabilizes the transition state of the Diels-Alder reaction electrostatically instead of facilitating charge transfer between HMFA and ethylene. Therefore, the preferred pathway for the Diels-Alder reaction starts with binding HMFA to the Sn site by the carbonyl oxygen, which is the configuration that maximizes electrostatic interactions between substrates and the catalyst in the transition state. The effect of substituting Sn in the active site by Zr and Ti was examined and the highest reaction barriers were for the Ti sites. Using EDA, we found that though the barriers of the Sn and Zr site are comparable, the individual contributing effects are different: lower energy penalty associated with distortion of the geometry of the Zr site overcomes less favorable electrostatic and charge transfer effects compared to the Sn site.

catalysis↗
DOE OSTI2022

How to correct relative voxel scale factors for calculations of vector-difference Fourier maps in cryo-EM

The atomic coordinates derived from cryo-electron microscopy (cryo-EM) maps can be inaccurate when the voxel scaling factors are not properly calibrated. Here, we describe a method for correcting relative voxel scaling factors between pairs of cryo-EM maps for the same or similar structures that are expanded or contracted relative to each other. We find that the correction of scaling factors reduces the amplitude differences of Fourier-inverted structure factors from voxel-rescaled maps by up to 20–30%, as shown by two cryo-EM maps of the SARS-CoV-2 spike protein measured at pH 4.0 and pH 8.0. This allows for the calculation of the difference map after properly scaling, revealing differences between the two structures for individual amino acid residues. Unexpectedly, the analysis uncovers two previously overlooked differences of amino acid residues in structures and their local structural changes. Furthermore, we demonstrate the method as applied to two cryo-EM maps of monomeric apo-photosystem II from the cyanobacteria Synechocystis sp. PCC 6803 and Thermosynechococcus elongatus. The resulting difference maps reveal many changes in the peripheral transmembrane PsbX subunit between the two species.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Generating a high-confidence reference genome map of the Greater Duckweed by integration of cytogenomic, optical mapping, and Oxford Nanopore technologies

Duckweeds are the fastest growing angiosperms and have the potential to become a new generation of sustainable crops. Although a seed plant, Spirodela polyrhiza clones rarely flower and multiply mainly through vegetative propagation. Whole-genome sequencing using different approaches and clones yielded two reference maps. One for clone 9509, supported in its assembly by optical mapping of single DNA molecules, and one for clone 7498, supported by cytogenetic assignment of 96 fingerprinted bacterial artificial chromosomes (BACs) to its 20 chromosomes. However, these maps differ in the composition of several individual chromosome models. We validated both maps further to resolve these differences and addressed whether they could be due to chromosome rearrangements in different clones. For this purpose, we applied sequential multicolor fluorescence in situ hybridization (mcFISH) to seven S. polyrhiza clones, using 106 BACs that were mapped onto the 39 pseudomolecules for clone 7498. Furthermore we integrated high-depth Oxford Nanopore (ON) sequence data for clone 9509 to validate and revise the previously assembled chromosome models. We found no major structural rearrangements between these seven clones, identified seven chimeric pseudomolecules and Illumina assembly errors in the previous maps, respectively. A new S. polyrhiza genome map with high contiguity was produced with the ON sequence data and genome-wide synteny analysis supported the occurrence of two Whole Genome Duplication events during its evolution. This work generated a high confidence genome map for S. polyrhiza at the chromosome scale, and illustrates the complementarity of independent approaches to produce whole-genome assemblies in the absence of a genetic map.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1998

Ab Initio Calculations of Water Line Strengths

We report on the determination of a high quality ab initiu potential energy surface (PES) and dipole moment function for water. This PES is empirically adjusted to improve the agreement between the computed line positions and those from the HITRAN 92 data base with J less than 6 for H2O. The changes in the PES are small, nonetheless including an estimate of core (oxygen 1s) electron correlation greatly improves the agreement with experiment. Using this adjusted PES, we can match 30,092 of the 30,117 transitions in the HITRAN 96 data base for H2O with theoretical lines. The 10,25,50,75, and 90 percentiles of the difference between the calculated and tabulated line positions are -0.11, -0.04, -0.01, 0.02, and 0.07 l/cm. Non-adiabatic effects are not explicitly included. About 3% of the tabulated line positions appear to be incorrect. Similar agreement using this adjusted PES is obtained for the oxygen 17 and oxygen 18 isotopes. For HDO, the agreement is not as good, with root-mean-square error of 0.25 l/cm for lines with J less than 6. This error is reduced to 0.02 l/cm by including a small asymmetric correction to the PES, which is parameterized by simultaneously fitting to HDO md D2O data. Scaling this correction by mass factors yields good results for T2O and HTO. The intensities summed over vibrational bands are usually in good agreement between the calculations and the tabulated results, but individual lines strengths can differ greatly. A high temperature list consisting of 307,721,352 lines is generated for H2O using our PES and dipole moment function.

Schwenke, David W.↗
DOE OSTI2017

Incorporating variability in simulations of seasonally forced phenology using integral projection models

Phenology models are becoming increasingly important tools to accurately predict how climate change will impact the life histories of organisms. We propose a class of integral projection phenology models derived from stochastic individual-based models of insect development and demography. Our derivation, which is based on the rate-summation concept, produces integral projection models that capture the effect of phenotypic rate variability on insect phenology, but which are typically more computationally frugal than equivalent individual-based phenology models. We demonstrate our approach using a temperature-dependent model of the demography of the mountain pine beetle (Dendroctonus ponderosae Hopkins), an insect that kills mature pine trees. This work illustrates how a wide range of stochastic phenology models can be reformulated as integral projection models. Due to their computational efficiency, these integral projection models are suitable for deployment in large-scale simulations, such as studies of altered pest distributions under climate change.

Goodsman, Devin W.↗
DOE OSTI2017

Sustainability assessment framework for scenarios – SAFS

To address current challenges regarding sustainable development and support planning for this form of development, new learning about different possible futures and their potential sustainability implications is needed. One way of facilitating this learning is by combining the futures studies and sustainability assessment (SA) research fields. This paper presents the sustainability assessment framework for scenarios (SAFS), a method developed for assessing the environmental and social risks and opportunities of future scenarios, provides guidelines for its application and demonstrates how the framework can be applied. SAFS suggests assessing environmental and social aspects using a consumption perspective and a life cycle approach, and provides qualitative results. SAFS does not suggest any modelling using precise data, but instead offers guidelines on how to carry out a qualitative assessment, where both the process of assessing and the outcome of the assessment are valuable and can be used as a basis for discussion. The benefits, drawbacks and potential challenges of applying SAFS are also discussed in the paper. SAFS uses systems thinking looking at future societies as a whole, considering both environmental and social consequences. This encourages researchers and decision-makers to consider the whole picture, and not just individual elements, when considering different futures. - Highlights: • The paper presents a new methodological framework for qualitative sustainability assessment of future scenarios with transformative changes. • The framework suggests qualitative assessment with consumption perspective and a life cycle approach. • The paper presents the framework and provides guidelines for its application. • The paper demonstrates on an example how the framework can be applied. • The benefits, drawbacks and challenges of the framework application and the need for further development are discussed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

CHESS 2025: Field-collected vegetation attributes and site photos

This dataset represents field observations of vegetation samples collected as part of the Colorado Headwaters Ecological Spectroscopy Study (CHESS) during June and July of 2025. Samples were collected in the field using tablet computers and digital forms, with target data differing by sample type (individual trees, individual shrubs, or 1-meter square plots of meadow and subshrub vegetation). Field samples were collected within 72 hours of airborne data collection using the National Ecological Observatory Network’s Aerial Observation Platform (NEON AOP). The NEON AOP collected waveform LiDAR (Light Detection and Ranging) and imaging spectrometer data in 426 spectral bands from the visible to shortwave infrared. Remote sensing data for the project is available on ESS-DIVE (DOI and citation to be added upon publication). Field data collected included canopy height and per-species horizontal proportional cover for meadow plots, species identity and height information for shrubs, as well as species identity, height, diameter at breast height, and health assessment information for trees. Photos of the focal site and surrounding landscape were taken for all sampling sites and are included in this archive. Green leaves or needles were collected for plant trait and foliar chemistry analysis. This data is archived separately (DOI and citation to be added upon publication). High-precision geospatial data for each sample (crown perimeter polygons for trees and shrubs, plot boundaries for meadow plots) is available here (Henderson et al., 2026). Field and remote sensing protocols largely followed those of a previous field and airborne imaging campaign performed in 2018 (described in Chadwick et al. 2020). Field data from the 2018 campaign can be found here (Chadwick et al., 2020 doi:10.15485/1618130). Because different field measurements were taken for meadow, shrub, and tree sites, data from these three sample types are archived as separate tables (chess_meadow_site_cleaned.csv, chess_shrub_site_cleaned.csv, chess_tree_site_cleaned.csv). Meadow proportional cover data is stored in a separate table (chess_meadow_cover_cleaned.csv). Taxonomy was treated identically between sample types, and the dataset shares a common set of voucher specimens (chess_voucher_IDs_cleaned.csv), as well as a single species list (chess_species_list_cleaned.csv). All taxonomic determinations were performed to the species level, and adhere to the Global Biodiversity Information Facility (GBIF) backbone taxonomy as of January 10th, 2026 (GBIF Secretariat 2023). CHESS Project Description: The Colorado Headwaters Ecological Spectroscopy Study (CHESS) comprised a multi-week airborne remote sensing and field observation campaign in the Upper Gunnison Basin, Colorado, conducted in June and July of 2025. Airborne remote sensing was conducted by the National Ecological Observatory Network Airborne Observation Platform (NEON AOP), concurrent with a field campaign run by the Rocky Mountain Biological Laboratory (RMBL), the Lawrence Berkeley National Laboratory (LBNL) and SLAC National Accelerator Laboratory Watershed Function Science Focus Area (SFA), and NASA-JPL (Jet Propulsion Laboratory) Earth Surface Mineral Dust Source Investigation (EMIT) program. Between June 10 and July 18, 2025, the NEON AOP flight team collected high-resolution aerial imaging spectroscopy and Light Detection and Ranging (LiDAR) data over three domains: the Upper East River (CRBU), Almont Triangle (ALMO), and the Upper Taylor Basin (UPTA). In coordination with the flights, a field campaign acquired ground-truth observations, including observations of vegetation composition, foliar traits, forest demography, and subsurface properties in 18 core sampling areas within the domains. Additional surface water observations were taken at over 380 point locations. All CHESS campaign datasets can be found within the CHESS ESS-DIVE data portal: https://data.ess-dive.lbl.gov/portals/chess. Funding Acknowledgment: Field and remote-sensing data acquisition was performed under a grant from the National Aeronautics and Space Administration (80NSSC24K1005). This work was also supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231.

2018 NEON and 2025 CHESS Campaigns↗
DOE OSTI2022

Image Provenance Analysis

The literature of multimedia forensics is mainly dedicated to the analysis of single assets (such as sole image or video files), aiming at individually assessing their authenticity. Different from this, image provenance analysis is devoted to the joint examination of multiple assets, intending to ascertain their history of edits, by evaluating pairwise relationships. Each relationship, thus, expresses the probability of one asset giving rise to the other, through either global or local operations, such as data compression, resizing, color-space modifications, content blurring, and content splicing. The principled combination of these relationships unveils the provenance of the assets, also constituting an important forensic tool for authenticity verification. This chapter introduces the problem of provenance analysis, discussing its importance and delving into the state-of-the-art techniques to solve it.

Moreira, Daniel↗
DOE OSTI2024

Hierarchical Phased-Array Antennas Coupled to Al KIDs: A Scalable Architecture for Multi-band Millimeter/Submillimeter Focal Planes

We present the optical characterization of two-scale hierarchical phased-array antenna kinetic inductance detectors (KIDs) for millimeter/submillimeter wavelengths. Our KIDs have a lumped-element architecture with parallel plate capacitors and aluminum inductors. The incoming light is received with a hierarchical phased array of slot dipole antennas, split into 4 frequency bands (between 125 GHz and 365 GHz) with on-chip lumped-element band-pass filters, and routed to different KIDs using microstriplines. Individual pixels detect light for the 3 higher-frequency bands (190–365 GHz), and the signals from four individual pixels are coherently summed to create a larger pixel detecting light for the lowest frequency band (125–175 GHz). The spectral response of the band-pass filters was measured using Fourier transform spectroscopy (FTS), the far-field beam pattern of the phased-array antennas was obtained using an infrared source mounted on a 2-axis translating stage, and the optical efficiency of the KIDs was characterized by observing loads at 294 K and 77 K. We report on the results of these three measurements.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

Evaluation of a Knowledge-Based Planning Solution for Head and Neck Cancer

Purpose: Automated and knowledge-based planning techniques aim to reduce variations in plan quality. RapidPlan uses a library consisting of different patient plans to make a model that can predict achievable dose-volume histograms (DVHs) for new patients and uses those models for setting optimization objectives. We benchmarked RapidPlan versus clinical plans for 2 patient groups, using 3 different libraries. Methods and Materials: Volumetric modulated arc therapy plans of 60 recent head and neck cancer patients that included sparing of the salivary glands, swallowing muscles, and oral cavity were evenly divided between 2 models, Model{sub 30A} and Model{sub 30B}, and were combined in a third model, Model{sub 60}. Knowledge-based plans were created for 2 evaluation groups: evaluation group 1 (EG1), consisting of 15 recent patients, and evaluation group 2 (EG2), consisting of 15 older patients in whom only the salivary glands were spared. RapidPlan results were compared with clinical plans (CP) for boost and/or elective planning target volume homogeneity index, using HI{sub B}/HI{sub E} = 100 × (D2% − D98%)/D50%, and mean dose to composite salivary glands, swallowing muscles, and oral cavity (D{sub sal}, D{sub swal}, and D{sub oc}, respectively). Results: For EG1, RapidPlan improved HI{sub B} and HI{sub E} values compared with CP by 1.0% to 1.3% and 1.0% to 0.6%, respectively. Comparable D{sub sal} and D{sub swal} values were seen in Model{sub 30A}, Model{sub 30B}, and Model{sub 60}, decreasing by an average of 0.1, 1.0, and 0.8 Gy and 4.8, 3.7, and 4.4 Gy, respectively. However, differences were noted between individual organs at risk (OARs), with Model{sub 30B} increasing D{sub oc} by 0.1, 3.2, and 2.8 Gy compared with CP, Model{sub 30A}, and Model{sub 60}. Plan quality was less consistent when the patient was flagged as an outlier. For EG2, RapidPlan decreased D{sub sal} by 4.1 to 4.9 Gy on average, whereas HI{sub B} and HI{sub E} decreased by 1.1% to 1.5% and 2.3% to 1.9%, respectively. Conclusions: RapidPlan knowledge-based treatment plans were comparable to CP if the patient's OAR-planning target volume geometry was within the range of those included in the models. EG2 results showed that a model including swallowing-muscle and oral-cavity sparing can be applied to patients with only salivary gland sparing. This may allow model library sharing between institutes. Optimal detection of inadequate plans and population of model libraries requires further investigation.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2021

A slip-spring framework to study relaxation dynamics of entangled wormlike micelles with kinetic Monte Carlo algorithm

Hypothesis: Wormlike micelles (WLMs) formed due to the self-assembly of amphiphiles in aqueous solution have similar viscoelastic properties as polymers. Owing to this similarity, in this work, it is postulated that kinetic Monte Carlo (kMC) sampling of slip-springs dynamics, which is able to model the rheology of polymers, can also be extended to capture the relaxation dynamics of WLMs. Theory: The proposed modeling framework considers the following relaxation mechanisms: reptation, union-scission, and constraint release. Specifically, each of these relaxation mechanisms is simulated as separate kMC events that capture the relaxation dynamics while considering the living nature of WLMs within the slip-spring framework. As a case study, the model is implemented to a system of sodium oleate and sodium chloride to predict the linear rheology and the characteristic relaxation times associated with the individual relaxation mechanisms at different pH and salt concentrations. Findings: Linear rheology predictions were found to be in good agreement with experimental data. Furthermore, the calculated relaxation times highlighted that reptation contributed to a continuous increase in viscosity while union-scission contributed to the decrease in viscosity of WLM solutions at a higher salinity and pH. Finally, this manifests the proposed model’s capability to provide insights into the key processes governing WLM’s rheology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Fast charge implications: Pack and cell analysis and comparison

This study investigates the effect of 50-kW (about 2C) direct current fast charging on a full-size battery electric vehicle's battery pack in comparison to a pack exclusively charged at 3.3 kW, which is the common alternating current Level 2 charging power level. Comparable scaled charging protocols are also independently applied to individual cells at three different temperatures, 20 °C, 30 °C, and 40 °C, to perform a comparative analysis with the packs. Dominant cell-level aging modes were identified through incremental capacity analysis and compared with full packs to gain a clear understanding of additional key factors that affect pack aging. While the cell-level study showed a minor impact on performance due to direct current fast charging, the packs showed a significantly higher rate of capacity fade under similar charging protocols. This indicates that pack-level aging cannot be directly extrapolated from cell evaluation. With this being said, delayed fast charging, completing shortly before discharge, was found to have less of an impact on battery degradation than conventional alternating current Level 2 charging

25 ENERGY STORAGE↗
DOE OSTI2019

Synthesis, particle shape characterization, magnetic properties and surface modification of superparamagnetic iron oxide nanochains

We report monodisperse, chain-like particles (nanochains) consisted of silica-coated maghemite (γ-Fe2O3) nanoparticle clusters prepared by colloidal chemistry and magnetic field-induced self-assembly of nanoparticle clusters. In order to quantify the shapes of chain-like particles, we have used the measure for shape convexity which is also called solidity. We functionalize the surface of the nanochains with amino (–NH2) and carboxyl groups (–COOH) in order to modify surface charge. These surfaces of nanochains provide better colloidal stability and their potential for practical applications in biomedicine. The enhanced colloidal stability of the surface modified nanochains is confirmed by Zeta potential (ζ-potential) analysis. Magnetic properties of the nanochains show superparamagnetic state at room temperature since the nanochains are composed of tiny nanoparticles as their building blocks. The measured M(H) data at room temperature have been successfully fitted by the Langevin function and magnetic moment μp = 20,526 μB for sphere-like nanoparticle clusters and μp = 20,767 μB for nanochains are determined. The determined magnetic parameters have revealed that the nanochains show a magnetic moment of the nanoparticles higher than the one of individual nanoparticle clusters. These differences can be attributed to the collective magnetic properties of superparamagnetic iron oxide nanoparticles (SPION) assembled in different morphologies (isotropic and anisotropic morphology). © 2018.

60 APPLIED LIFE SCIENCES↗