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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Toward Personalized Network Biomarkers in Alzheimer's Disease: Computing Individualized Genomic and Protein Crosstalk Maps

We call for the AD field to move beyond discrete biomarkers and utilize the full power of informatics and big data approaches to build and test personalized markers at a pathway and network level. While we have chosen AD as an example, the issues we propose are also highly relevant to other neurodegenerative disorders, such as vascular dementia or dementia with Lewy bodies, where even less is known about how various biomarkers interact. Indeed, the availability of rich biomarker data across a range of neurodegenerative disorders would enable more accurate pathology-based classification of such conditions (as opposed to the current predominantly clinical classifications). We further hypothesize that building dynamic network biomarkers and pathway crosstalk reference maps using the combined power of several protein/gene-level knowledge priors could accelerate discovery of disease-specific mechanisms and novel drug targets by enrichment with patient specific genetic information. Application of this methodology to large public AD datasets is needed to test our hypotheses and refine the methods. Subsequent replication in independent datasets and population studies as well as functional validation of mechanisms in laboratory models will be the next steps. Ultimately, it is our hope that such novel methods may yield further insights into both disease mechanisms as well as novel targets for biomarker development and drug discovery.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

A coupled ground heat flux–surface energy balance model of evaporation using thermal remote sensing observations

Abstract. One of the major undetermined problems in evaporation (ET) retrieval using thermal infrared remote sensing is the lack of a physically based ground heat flux (G) model and its integration within the surface energy balance (SEB) equation. Here, we present a novel approach based on coupling a thermal inertia (TI)-based mechanistic G model with an analytical surface energy balance model, Surface Temperature Initiated Closure (STIC, version STIC1.2). The coupled model is named STIC-TI. The model is driven by noon–night (13:30 and 01:30 local time) land surface temperature, surface albedo, and a vegetation index from MODIS Aqua in conjunction with a clear-sky net radiation sub-model and ancillary meteorological information. SEB flux estimates from STIC-TI were evaluated with respect to the in situ fluxes from eddy covariance measurements in diverse ecosystems of contrasting aridity in both the Northern Hemisphere and Southern Hemisphere. Sensitivity analysis revealed substantial sensitivity of STIC-TI-derived fluxes due to the land surface temperature uncertainty. An evaluation of noontime G (Gi) estimates showed 12 %–21 % error across six flux tower sites, and a comparison between STIC-TI versus empirical G models also revealed the substantially better performance of the former. While the instantaneous noontime net radiation (RNi) and latent heat flux (LEi) were overestimated (15 % and 25 %), sensible heat flux (Hi) was underestimated (22 %). Overestimation (underestimation) of LEi (Hi) was associated with the overestimation of net available energy (RNi−Gi) and use of unclosed surface energy balance flux measurements in LEi (Hi) validation. The mean percent deviations in Gi and Hi estimates were found to be strongly correlated with satellite day–night view angle difference in parabolic and linear pattern, and a relatively weak correlation was found between day–night view angle difference versus LEi deviation. Findings from this parameter-sparse coupled G–ET model can make a valuable contribution to mapping and monitoring the spatiotemporal variability of ecosystem water stress and evaporation using noon–night thermal infrared observations from future Earth observation satellite missions such as TRISHNA, LSTM, and SBG.

Bhattacharya, Bimal K.↗
NASA NTRS1974

A low resolution map of Europa from four occultations by Io

Analysis of three occultations of JII (Europa) by JI (Io) has resulted in a preliminary reflectivity map of JII for the hemisphere centered on longitude 324 deg, a measurement of 1483 plus or minus 20 km for the radius of JII, estimates of the event impact parameters, determination of the midevent times, and a visual geometric albedo of 0.74, for JII. A fourth occultation light curve was used after derivation of the results to confirm their validity.

Vermilion, J. R.↗
NASA NTRS1992

CSM activities at the NASA Langley Research Center

The objective and goals of the Computational Structural Mechanics (CSM) Program as applied to airframe structures are given. It is recognized that the rapid evolution of computer hardware has opened up new opportunities for solving more complex and larger structural analysis problems than was hitherto imagined. To utilize these computers, new methods of computational structural mechanics are required. Methods are now being developed, assessed, and validated to meet the goals, and each of these goals is addressed. Plans and approaches are shown and highlights of results achieved in meeting these goals are given. Three research thrusts are shown in the five-year plan: advanced robust CSM methods, large-scale solutions, and validation/demonstration studies. The areas of research activity reflect the CSM goals. The mapping of developed methods onto high-performance and massively parallel computers is an integral part of the CSM five-year plan.

Housner, Jerrold M.↗
NASA NTRS2015

An Upgrade of the Imaging for Hypersonic Experimental Aeroheating Testing (IHEAT) Software

The Imaging for Hypersonic Experimental Aeroheating Testing (IHEAT) code is used at NASA Langley Research Center to analyze global aeroheating data on wind tunnel models tested in the Langley Aerothermodynamics Laboratory. One-dimensional, semi-infinite heating data derived from IHEAT are used to design thermal protection systems to mitigate the risks due to the aeroheating loads on hypersonic vehicles, such as re-entry vehicles during descent and landing procedures. This code was originally written in the PV-WAVE programming language to analyze phosphor thermography data from the two-color, relativeintensity system developed at Langley. To increase the efficiency, functionality, and reliability of IHEAT, the code was migrated to MATLAB syntax and compiled as a stand-alone executable file labeled version 4.0. New features of IHEAT 4.0 include the options to batch process all of the data from a wind tunnel run, to map the two-dimensional heating distribution to a three-dimensional computer-aided design model of the vehicle to be viewed in Tecplot, and to extract data from a segmented line that follows an interesting feature in the data. Results from IHEAT 4.0 were compared on a pixel level to the output images from the legacy code to validate the program. The differences between the two codes were on the order of 10-5 to 10-7. IHEAT 4.0 replaces the PV-WAVE version as the production code for aeroheating experiments conducted in the hypersonic facilities at NASA Langley.

Mason, Michelle L.↗
NASA NTRS2014

Development of Super Ensemble-Based Aviation Turbulence Guidance (SEATG) for Air Traffic Management

A new method for forecasting turbulence is developed and evaluated using the high resolution weather model and in situ turbulence observations from commercial aircraft. The new method is an ensemble of various turbulence metrics from multiple time-lagged ensemble forecasts created using a sequence of four procedures. These include weather modeling, calculation of turbulence metrics, mapping the metrics into a common turbulence-scale, and production of final forecast. The new method uses similar methodology as current operational turbulence forecast with three improvements. First, it uses a higher resolution ((delta)x = 3 km) weather model to capture cloud resolving scale phenomena. Second, it computes the metrics for multiple forecasts that are combined at the same valid time resulting in a time-lagged ensemble of multiple turbulence metrics. Finally, it provides both deterministic and probabilistic turbulence forecasts. Results show the new forecasts match well with observed radar reflectivity along a surface front as well as convectively induced turbulence outside the clouds on research period. Overall performance skill of the new turbulence forecast compared with the observed EDR data during the research period is superior to any single turbulence metric. The probabilistic turbulence forecast is used in an example air traffic management application for creating a wind-optimal route considering turbulence information. The wind-optimal route passing through areas of 50% potential for moderate-or-greater turbulence and the lateral turbulence avoidance routes starting from three different waypoints along the wind-optimal route from Los Angeles international airport to John F. Kennedy international airport are calculated using different turbulence forecasts. This example shows additional flight time is required to avoid potential turbulence encounters.

modeling↗
DOE OSTI2018

Discovery of a Blind Geothermal System in Southern Gabbs Valley, Western Nevada, through Application of the Play Fairway Analysis at Multiple Scales

The Great Basin region is capable of generating much greater amounts of geothermal energy than currently produced. Most geothermal resources in this region are blind, and thus favorable characteristics for geothermal activity must be synthesized and methodologies developed to discover new commercial-grade systems. The geothermal play fairway concept involves integration of multiple parameters indicative of geothermal activity to identify promising areas for new development. In the Nevada play fairway project, geologic, geochemical, and geophysical parameters were initially synthesized to produce a new geothermal potential map of 96,000 km2. Southern Gabbs Valley in western Nevada is a particularly promising site selected for detailed study. It contains favorable structural settings, including Quaternary fault intersections and a displacement transfer zone. Geologic, geophysical, and geochemical techniques were employed to define the most likely sites for high permeability and select targets for temperature-gradient holes. Permeability models were revised to reflect results of detailed analyses and generate new detailed play fairway maps. The most promising site lies in an area of multiple fault intersections in a broader displacement transfer zone directly north of the Petrified Springs dextral fault, as revealed by gravity, magnetic, and MT data. A 2-m temperature anomaly and warm temperature gradient wells (~120oC at ~150 m depth) confirm the presence of a geothermal system and provide initial validation of the play fairway methodology. The system is blind, with no surface hot springs, fumaroles, or paleo-geothermal deposits. Lessons learned in the detailed studies include: 1) initially identified sites commonly include multiple favorable settings at a finer scale; 2) promising sites in Cenozoic basins cannot be recognized without detailed geophysical surveys; and 3) play fairway analysis is critical at multiple scales.

15 GEOTHERMAL ENERGY↗
DOE OSTI2015

Improving public communication through environmental data transparency at Los Alamos National Laboratory - 15306

The Los Alamos National Laboratory (LANL) environmental data span a wide range of media, including air, soil, sediment, water, foodstuff, and biota as well as over 1000 analytes and time periods extending over 4 decades, resulting in over 14 million records to manage and analyze. At a time of budget cuts and rapid social and technological change, the public, regulatory and compliance agencies, and stakeholders demand accelerated data delivery and efficiency, information sharing, and transparency in the dissemination and handling of samples collected in and around LANL. Meeting these requirements, while constraining the associated costs can be challenging; however, LANL has achieved this by adopting a cloud-based database called the Environmental Information Management (EIM) system and its public database counterpart, IntellusNM (Intellus) (www.intellusnm.com). To be consistent with federal initiatives to move government computing into cloud-based services, LANL chose to partner with an existing cloud-based vendor, Locus Technologies, to implement a software-as-a-service model. As an additional cost-saving measure, local regulatory and compliance agencies collaborated with LANL to incorporate their data into EIM and Intellus database. By adopting a single platform cloud-based solution to replace 12 different pre-existing environmental data systems, LANL has streamlined environmental data processes, resulting in over $15 million cost savings through 2015. EIM, LANL's internal cloud database, provides a cradle-to-grave process for data handling. EIM supports LANL's entire data process from detailed sample planning, mobile data collection using iOS mobile devices, to automated bottle labeling, generation of chain of custody, analytical lab electronic data deliverable upload, auto data validation, sample tracking, and custom regulatory and compliance reports. EIM has functionality to assess data in various ways such as the ability to design new formatted reports, a free-form structured query language tool of the entire database, exceedance reports, calculation engine, charting, trends, and statistics. EIM also has interactive geographic information system layers and analyte concentration color contour mapping capabilities. Additionally, and of greater importance to LANL, EIM supports the ability for third-party landowners to review data before release to the public, thus ensuring transparency and confidence in LANL's stewardship of human health and the environment. Intellus, the database counterpart of EIM, is the publicly available view of the entire LANL database and requires no data feeds or transformations. Intellus allows user-friendly access to LANL's environmental data as it is collected, providing the public, scientists, remediation teams, regulators, and stakeholders within hours of receipt. Full transparency in giving the public access to environmental data information provides LANL's overall solution to environmental data management for the public. By making the data easy to obtain, search, and query for interested stakeholders, the system enables confidence in LANL's stewardship of the environment. Working together identifies key topics of improvements, develop strategies and help support innovation and substantial advances within LANL's environmental data management system. (authors)

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Modular Accelerator Robotics Framework Implementation For Accelerator Inspection

Accelerator tunnels, such as the ones at Fermilab, remain highly radioactive after beam shutoff due to induced radiation from the beam. This residual radiation creates a hazardous environment for manual inspection and repair of beamline components. To minimize worker radiation dose and reduce beam downtime, the AD Robotics Initiative previously built a fleet of low-cost custom mobile robots. However, the custom Python sockets server-client architecture lacked standardization, causing development delays and complicating the integration of new sensors and actuators. Here, we developed a modular system using ROS2 and Docker to standardize the teleoperation and control interfaces. This system was validated by implementing a teleoperation controller with real-time, low-latency, and high-definition video feedback. The aim of this framework is for a new feature or even a robot to be integrated into the system simply by documenting the hardware configuration. Current integration of LiDAR, Odometry, and Depth Cameras provides the foundation for Simultaneous Localization and Mapping (SLAM) tasks. Finally, future work involves integration into the accelerator control system and the attachment of a 6 degree-of-freedom robotic arm for telemanipulation.

Rayyan Khana, M. [Unlisted, US, IL] (ORCID:0009000↗
DOE OSTI2015

SU-E-T-799: Verification of a Simultaneous Treatment of Multiple Brain Metastases Using VMAT Technique by a Composite Alanine-Gel Dosimeter Phantom

Purpose: This work presents an end-to-end test using a Gel-Alanine phantom to validate the three-dimensional (3D) dose distribution (DD) delivered by a single isocenter VMAT technique on the simultaneous treatment of multiple brain metastases. Methods: Three cylindrical phantons containing MAGIC-f gel dosimeter were used to measure the 3D DD of a VMAT treatment, the first two were filled with the gel dosimeter (Gel 1 and 2) and the third one was filled with gel and 12 alanine dosimeters distributed along it (Gel 3). Gels 1 and 3 were irradiated and gel 2 was used to map the magnetic resonance image (MRI) scanner field inomogeneities. A CT scan of gel 3 was used for the VMAT treatment planning and 5 alanine pellets were chosen as lesions, around them a PTV was grown and different dose prescriptions were assigned for each one, varying from 5 to 9Gy. Before treatment, the plan was approved in a QA based on an ionization chamber absolute dose measurement, a radiochromic film planar dose measurement and a portal dosimetry per field verification; and also the phantons positioning were verified by ExacTrac 6D correction and OBI kV Cone Beam CT. The gels were irradiated, the MRIs were acquired 24 hours after irradiation and finally, the alanine dosimeters were analysed in a X-band Electron Spin Resonance spectrometer. Results: The association of the two detectors enabled the 3D dose evaluation by gel and punctually inside target volumes by alanine. In the gamma analyses (3%/3mm) comparing the 5 PTVs’ central images DD with TPS expected DD more than 95% of the points were approved. The alanine absolute dose measurements were in agreement with TPS by less than 5%. Conclusion: The gel-alanine phantom enabled the dosimetric validation of multiple brain metastases treatment using VMAT, being an almost ideal tool for this application. This work is partially supported by FAPESP.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2012

Sao Paulo Lightning Mapping Array (SP-LMA): Deployment, Operation and Initial Data Analysis

An 8-10 station Lightning Mapping Array (LMA) network is being deployed in the vicinity of Sao Paulo to create the SP-LMA for total lightning measurements in association with the international CHUVA [Cloud processes of the main precipitation systems in Brazil: A contribution to cloud resolving modeling and to the GPM (Global Precipitation Measurement)] field campaign. Besides supporting CHUVA science/mission objectives and the Sao Luiz do Paraitinga intensive operation period (IOP) in November-December 2011, the SP-LMA will support the generation of unique proxy data for the Geostationary Lightning Mapper (GLM) and Advanced Baseline Imager (ABI), both sensors on the NOAA Geostationary Operational Environmental Satellite-R (GOES-R), presently under development and scheduled for a 2015 launch. The proxy data will be used to develop and validate operational algorithms so that they will be ready for use on "day1" following the launch of GOES-R. A preliminary survey of potential sites in the vicinity of Sao Paulo was conducted in December 2009 and January 2010, followed up by a detailed survey in July 2010, with initial network deployment scheduled for October 2010. However, due to a delay in the Sao Luiz do Paraitinga IOP, the SP-LMA will now be installed in July 2011 and operated for one year. Spacing between stations is on the order of 15-30 km, with the network "diameter" being on the order of 30-40 km, which provides good 3-D lightning mapping 150 km from the network center. Optionally, 1-3 additional stations may be deployed in the vicinity of Sao Jos dos Campos.

Blakeslee, R.↗
DOE OSTI2024

HarDWR - Harmonized Water Rights Records

For a detailed description of the database of which this record is only one part, please see the HarDWR meta-record. Here we present a new dataset of western U.S. water rights records. This dataset provides consistent unique identifiers for each spatial unit of water management across the domain, unique identifiers for each water right record, and a consistent categorization scheme that puts each water right record into one of 7 broad use categories. These data were instrumental in conducting a study of the multi-sector dynamics of intersectoral water allocation changes through water markets (Grogan et al., in review). Specifically, the data were formatted for use as input to a process-based hydrologic model, WBM, with a water rights module (Grogan et al., in review). While this specific study motivated the development of the database presented here, U.S. west water management is a rich area of study (e.g., Anderson and Woosly, 2005; Tidwell, 2014; Null and Prudencio, 2016; Carney et al, 2021) so releasing this database publicly with documentation and usage notes will enable other researchers to do further work on water management in the U.S. west. The raw downloaded data for each state is described in Lisk et al. (in review), as well as here. The dataset is a series of various files organized by state sub-directories. The first two characters of each file name is the abbreviation for the state the in which the file contains data for. After the abbreviation is the text which describes the contents of the file. Here is each file type described in detail: XXFullHarmonizedRights.csv: A file of the combined groundwater and surface water records for each state. Essentially, this file is the merging of XXGroundwaterHarmonizedRights.csv and XXSurfaceWaterHarmonizedRights.csv by state. The column headers for each of this type of file are: state - The name of the state the data comes from. FIPS - The two-digit numeric state ID code. waterRightID - The unique identifying ID of the water right, the same identifier as its state uses. priorityDate - The priority date associated with the right. origWaterUse - The original stated water use(s) from the state. waterUse - The water use category under the unified use categories established here. source - Whether the right is for surface water or groundwater. basinNum - The alpha-numeric identifier of the WMA the record belongs to. CFS - The maximum flow of the allocation in cubic feet per second (ft3s-1). Arizona is unique among the states, as its surface and groundwater resources are managed with two different sets of boundaries. So, for Arizona, the basinNum column is missing and instead there are two columns: surBasinNum - The alpha-numeric identifier of the surface water WMA the record belongs to. grdBasinNum - The alpha-numeric identifier of the groundwater WMA the record belongs to. XXStatePOD.shp: A shapefile which identifies the location of the Points of Diversion for the state's water rights. It should be noted that not all water right records in XXFullHarmonizedRights.csv have coordinates, and therefore may be missing from this file. XXStatePOU.shp: A shapefile which contains the area(s) in which each water right is claimed to be used. Currently, only Idaho and Washington provided valid data to include within this file. XXGroundwaterHarmonizedRights.csv: A file which contains only harmonized groundwater rights collected from each state. See XXFullHarmonizedRights.csv for more details on how the data is formatted. XXSurfaceWaterHarmonizedRights.csv: A file which contains only harmonized surface water rights collected from each state. See XXFullHarmonizedRights.csv for more details on how the data is formatted. Additionally, one file, stateWMALabels.csv, is not stored within a sub-directory. While we have referred to the spatial boundaries that each state uses to manage its water resources as WMAs, this term is not shared across all states. This file lists the proper name for each boundary set, by state. For those whom may be interested in exploring our code more in depth, we are also making available an internal data file for convenience. The file is in .RData format and contains everything described above as well as some minor additional objects used within the code calculating the cumulative curves. For completeness, here is a detailed description of the various objects which can be found within the .RData file: states: A character vector containing the state names for those states in which data was collected for. More importantly, the index of the state name is also the index in which that state's data can be found in the various following list objects. For example, if California is the third index in this object, the data for California will also be in the third index for each accompanying list. rightsByState_ground: A list of data frames with the cleaned ground water rights collected from each state. This object holds the the data that is exported to created the xxGroundwaterHarmonizedRights.csv files. rightsByState_surface: A list of data frames with the cleaned surface water rights collected from each state. This object holds the the data that is exported to created the xxSurfaceWaterHarmonizedRights.csv files. fullRightsRecs: A list of the combined groundwater and surface water records for each state. This object holds the the data that is exported to created the xxFullHarmonizedRights.csv files. projProj: The spatial projection used for map creation in the beginning of the project. Specifically, the World Geodetic System (WGS84) as a coordinate reference system (CRS) string in PROJ.4 format. wmaStateLabel: The name and/or abbreviation for what each state legally calls their WMAs. h2oUseByState: A list of spatial polygon data frames which contain the area(s) in which each water right is claimed to be used. It should be noted that not all water right records have a listed area(s) of use in this object. Currently, only Idaho and Washington provided valid data to be included in this object. h2oDivByState: A list of spatial points data frames which identifies the location of the Point of Diversion for the state's water rights. It should be noted that not all water right records have a listed Point of Diversion in this object. spatialWMAByState: A list of spatial polygon data frames which contain the spatial WMA boundaries for each state. The only data contained within the table are identifiers for each polygon. It is worth reiterating that Arizona is the only state in which the surface and groundwater WMA boundaries are not the same. wmaIDByState: A list which contains the unique ID values of the WMAs for each state. plottingDim: A character vector used to inform mapping functions for internal map making. Each state is classified as either "tall" or "wide", to maximize space on a typical 8x11 page. The code related to the creation of this dataset can be viewed within HarDWR GitHub Repository/dataHarmonization.

Economics↗
NASA NTRSDate not supplied

The Use of the BSRN Data as A Benchmark for the POWER Hourly DHI and DNI and In Validating Derived Hourly GTI

The satellite-based CERES SYN1deg hourly data is the source data of the POWER GIS solar data that covers 2001 to near present. The SYN1deg(Ed4.1) hourly GHI agrees well with the BSRN data, but the hourly DHI and DirHI (Direct Horizontal Irradiance) are positively and negatively, respectively, biased with appreciable magnitudes. The hourly DNI, derived by dividing the DirHI by cos(SZA), or the cosine of the solar zenith angle, is therefore negatively biased. Based on the statistics of comparisons with the BSRN data, we performed bias corrections on the hourly DHI and DNI. The corrections were executed in the 3-D phase space of latitude, cos(SZA), and cloud fraction (CLFR). The isotropic model is then used to derive the hourly global tilted irradiance (GTI). For validation purpose, we applied the isotropic model to the BSRN data at the original 1-, 2-, 3- or 5-minute interval. The satellite-based hourly GTI shows good agreement with their BSRN counterpart. We also examined two monthly-mean-based methods that empirically derive monthly mean GTI and DNI from monthly mean GHI and from both monthly mean GHI and DHI. The monthly-mean-based results compare favorably with the hourly-mean-based results. The GEWEX SRB (V4-IP) provides POWER with daily mean GHI for the years before the CERES era, and the data were corrected using quantile mapping by referencing the CERES SYN1deg data. We used the Kolmogorov -Smirnov test (K-S test) and Cramer-von Mises test to examine how well the results agree with the BSRN data. We found that if we set the lower limit for the daily mean GHI to 30 W m-2, the data can pass the K-S test at 0.01 significance level and the Cramer-von Mises test at 0.001 significance level. If no lower limit is set on the daily means, the data fail both tests. The satellite-based CERES SYN1deg hourly data is the source data of the POWER GIS solar data that covers 2001 to near present. The SYN1deg(Ed4.1) hourly GHI agrees well with the BSRN data, but the hourly DHI and DirHI (Direct Horizontal Irradiance) are positively and negatively, respectively, biased with appreciable magnitudes. The hourly DNI, derived by dividing the DirHI by cos(SZA), or the cosine of the solar zenith angle, is therefore negatively biased. Based on the statistics of comparisons with the BSRN data, we performed bias corrections on the hourly DHI and DNI. The corrections were executed in the 3-D phase space of latitude, cos(SZA), and cloud fraction (CLFR). The isotropic model is then used to derive the hourly global tilted irradiance (GTI). For validation purpose, we applied the isotropic model to the BSRN data at the original 1-, 2-, 3- or 5-minute interval. The satellite-based hourly GTI shows good agreement with their BSRN counterpart. We also examined two monthly-mean-based methods that empirically derive monthly mean GTI and DNI from monthly mean GHI and from both monthly mean GHI and DHI. The monthly-mean-based results compare favorably with the hourly-mean-based results. The GEWEX SRB (V4-IP) provides POWER with daily mean GHI for the years before the CERES era, and the data were corrected using quantile mapping by referencing the CERES SYN1deg data. We used the Kolmogorov -Smirnov test (K-S test) and Cramer-von Mises test to examine how well the results agree with the BSRN data. We found that if we set the lower limit for the daily mean GHI to 30 W m-2, the data can pass the K-S test at 0.01 significance level and the Cramer-von Mises test at 0.001 significance level. If no lower limit is set on the daily means, the data fail both tests.

Taiping Zhang↗
DOE OSTI2015

SU-D-304-05: Validation of Low-Dose-Tail Modeling for Proton Pencil Beam Spot Scanning Using a Quality Assurance Test Pattern

Purpose: The purpose of this manuscript is to demonstrate the utility of a comprehensive test pattern in validating calculation models of the low-dose tails of proton pencil beam scanning (PBS) spots. Such a pattern has been used previously for quality assurance purposes to assess spot shape and location, and for determining monitor units. Methods: In this study, a scintillation detector was used to measure the test pattern in air at isocenter for two proton beam energies (115 and 225 MeV) of two IBA universal nozzles (UN). Planar measurements were compared with calculated dose distribution based on the weighted superposition of spot profiles previously measured using a pair-magnification method. Results: Including the halo component below 1% of the central dose is shown to improve the gamma-map comparison between calculation and measurement from 94.9% to 98.4% using 2 mm/2% criteria for the 115 MeV proton beam of UN #1. In contrast, including the halo component below 1% of the central dose does not improve the gamma agreement for the 115 MeV proton beam of UN #2, due to the cutoff of the halo component at off-axis locations. When location-dependent spot profiles are used for calculation instead of spot profiles at central axis, the gamma agreement is improved from 98.0% to 99.5% using 2 mm/2% criteria. The cutoff of the halo component is smaller at higher energies, and is not observable for the 225 MeV proton beam for UN #2. Conclusion: In conclusion, the use of a comprehensive test pattern can facilitate the validation of the halo component of proton PBS spots at off axis locations. The cutoff of the halo component should be taken into consideration for large fields or PBS systems that intend to trim spot profiles using apertures. This work was supported by the US Army Medical Research and Materiel Command under Contract Agreement No. DAMD17-W81XWH-07-2-0121 and W81XWH-09-2-0174.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Force-Free Identification of Minimum-Energy Pathways and Transition States for Stochastic Electronic Structure Theories

Here, the accurate mapping of potential energy surfaces (PESs) is crucial to our understanding of the numerous physical and chemical processes mediated by atomic rearrangements, such as conformational changes and chemical reactions, and the thermodynamic and kinetic feasibility of these processes. Stochastic electronic structure theories, e.g., Quantum Monte Carlo (QMC) methods, enable highly accurate total energy calculations that in principle can be used to construct the PES. However, their stochastic nature poses a challenge to the computation and use of forces and Hessians, which are typically required in algorithms for minimum-energy pathway (MEP) and transition state (TS) identification, such as the nudged elastic band (NEB) algorithm and its climbing image formulation. Here, we present strategies that utilize the surrogate Hessian line-search method, previously developed for QMC structural optimization, to efficiently identify MEP and TS structures without requiring force calculations at the level of the stochastic electronic structure theory. By modifying the surrogate Hessian algorithm to operate in path-orthogonal subspaces and at saddle points, we show that it is possible to identify MEPs and TSs by using a force-free QMC approach. We demonstrate these strategies via two examples, the inversion of the ammonia (NH 3 ) molecule and the nucleophilic substitution (S N 2) reaction F – + CH 3 F → FCH 3 + F – . We validate our results using Density Functional Theory (DFT)- and Coupled Cluster (CCSD, CCSD(T))-based NEB calculations. We then introduce a hybrid DFT-QMC approach to compute thermodynamic and kinetic quantities, free energy differences, rate constants, and equilibrium constants that incorporates stochastically optimized structures and their energies, and show that this scheme improves upon DFT accuracy. Our methods generalize straightforwardly to other systems and other high-accuracy theories that similarly face challenges computing energy gradients, paving the way for highly accurate PES mapping, transition state determination, and thermodynamic and kinetic calculations at significantly reduced computational expense.

Iyer, Gopal R.↗
DOE OSTI2023

Imaging crossing fibers in mouse, pig, monkey, and human brain using small-angle X-ray scattering

Myelinated axons (nerve fibers) efficiently transmit signals throughout the brain via action potentials. Multiple methods that are sensitive to axon orientations, from microscopy to magnetic resonance imaging, aim to reconstruct the brain's structural connectome. As billions of nerve fibers traverse the brain with various possible geometries at each point, resolving fiber crossings is necessary to generate accurate structural connectivity maps. However, doing so with specificity is a challenging task because signals originating from oriented fibers can be influenced by brain (micro)structures unrelated to myelinated axons. X-ray scattering can specifically probe myelinated axons due to the periodicity of the myelin sheath, which yields distinct peaks in the scattering pattern. Here, in this work, we show that small-angle X-ray scattering (SAXS) can be used to detect myelinated, axon-specific fiber crossings. We first demonstrate the capability using strips of human corpus callosum to create artificial double- and triple-crossing fiber geometries, and we then apply the method in mouse, pig, vervet monkey, and human brains. We compare results to polarized light imaging (3D-PLI), tracer experiments, and to outputs from diffusion MRI that sometimes fails to detect crossings. Given its specificity, capability of 3-dimensional sampling and high resolution, SAXS could serve as a ground truth for validating fiber orientations derived using diffusion MRI as well as microscopy-based methods.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2012

Validation of Atmosphere/Ionosphere Signals Associated with Major Earthquakes by Multi-Instrument Space-Borne and Ground Observations

The latest catastrophic earthquake in Japan (March 2011) has renewed interest in the important question of the existence of pre-earthquake anomalous signals related to strong earthquakes. Recent studies have shown that there were precursory atmospheric/ionospheric signals observed in space associated with major earthquakes. The critical question, still widely debated in the scientific community, is whether such ionospheric/atmospheric signals systematically precede large earthquakes. To address this problem we have started to investigate anomalous ionospheric / atmospheric signals occurring prior to large earthquakes. We are studying the Earth's atmospheric electromagnetic environment by developing a multisensor model for monitoring the signals related to active tectonic faulting and earthquake processes. The integrated satellite and terrestrial framework (ISTF) is our method for validation and is based on a joint analysis of several physical and environmental parameters (thermal infrared radiation, electron concentration in the ionosphere, lineament analysis, radon/ion activities, air temperature and seismicity) that were found to be associated with earthquakes. A physical link between these parameters and earthquake processes has been provided by the recent version of Lithosphere-Atmosphere-Ionosphere Coupling (LAIC) model. Our experimental measurements have supported the new theoretical estimates of LAIC hypothesis for an increase in the surface latent heat flux, integrated variability of outgoing long wave radiation (OLR) and anomalous variations of the total electron content (TEC) registered over the epicenters. Some of the major earthquakes are accompanied by an intensification of gas migration to the surface, thermodynamic and hydrodynamic processes of transformation of latent heat into thermal energy and with vertical transport of charged aerosols in the lower atmosphere. These processes lead to the generation of external electric currents in specific regions of the atmosphere and the modifications, by dc electric fields, in the ionosphere-atmosphere electric circuit. We retrospectively analyzed temporal and spatial variations of four different physical parameters (gas/radon counting rate, lineaments change, long-wave radiation transitions and ionospheric electron density/plasma variations) characterizing the state of the lithosphere/atmosphere coupling several days before the onset of the earthquakes. Validation processes consist in two phases: A. Case studies for seven recent major earthquakes: Japan (M9.0, 2011), China (M7.9, 2008), Italy (M6.3, 2009), Samoa (M7, 2009), Haiti (M7.0, 2010) and, Chile (M8.8, 2010) and B. A continuous retrospective analysis was preformed over two different regions with high seismicity- Taiwan and Japan for 2003-2009. Satellite, ground surface, and troposphere data were obtained from Terra/ASTER, Aqua/AIRS, POES and ionospheric variations from DEMETER and COSMIC-I data. Radon and GPS/TEC were obtaining from monitoring sites in Taiwan, Japan and Italy and from global ionosphere maps (GIM) respectively. Our analysis of ground and satellite data during the occurrence of 7 global earthquakes has shown the presence of anomalies in the atmosphere. Our results for Tohoku M9.0 earthquake show that on March 7th, 2011 (4 days before the main shock and 1 day before the M7.2 foreshock of March 8, 2011) a rapid increase of emitted infrared radiation was observed by the satellite data and an anomaly was developed near the epicenter. The GPS/TEC data indicate an increase and variation in electron density reaching a maximum value on March 8. From March 3 to 11 a large increase in electron concentration was recorded at all four Japanese ground-based ionosondes, which returned to normal after the main earthquake. Similar approach for analyzing atmospheric and ionospheric parameters has been applied for China (M7.9, 2008), Italy (M6.3, 2009), Samoa (M7, 2009), Haiti (M7.0, 2010) and Chile (M8.8, 2010) eahquakes. Results have revealed the presence of related variations of these parameters implying their connection with the earthquake process. The second phase (B) of this validation included 102 major earthquakes (M>5.9) in Taiwan and Japan. We have found anomalous behavior before all of these events with no false negatives. False alarm ratio for false positives is less then 10% and has been calculated for the same month of the earthquake occurrence for the entire period of analysis (2003-2009). The commonalities for detecting atmospheric/ionospheric anomalies are: i.) Regularly appearance over regions of maximum stress (i.e., along plate boundaries); ii.) Anomaly existence over land and sea; and iii) association with M>5.9 earthquakes not deeper than 100km. Due to their long duration over the same region these anomalies are not consistent with a meteorological origin. Our initial results from the ISTF validation of multi-instrument space-borne and ground observations show a systematic appearance of atmospheric anomalies near the epicentral area, one to seven (average) days prior to the largest earthquakes, and suggest that it could be explained by a coupling process between the observed physical parameters and the pre-earthquake preparation processes.

Ouzounov, Dimitar↗
DOE OSTI2021

A consistent and conservative volume distribution algorithm and its applications to multiphase flows using Phase-Field models

In the present study, the multiphase volume distribution problem, where there can be an arbitrary number of phases, is addressed using a consistent and conservative volume distribution algorithm. The proposed algorithm satisfies the summation constraint, the conservation constraint, and the consistency of reduction. The first application of the volume distribution algorithm is to determine the Lagrange multipliers in multiphase Phase-Field models that enforce the mass conservation, and a multiphase conservative Allen-Cahn model that satisfies the consistency of reduction is developed. A corresponding consistent and conservative numerical scheme is developed for the model. The multiphase conservative Allen-Cahn model has a better ability than the multiphase Cahn-Hilliard model to preserve under-resolved structures. The second application is to develop a numerical procedure, called the boundedness mapping, to map the order parameters, obtained numerically from a multiphase model, into their physical interval, and at the same time to preserve the physical properties of the order parameters. Along with the consistent and conservative schemes for the multiphase Phase-Field models, the numerical solutions of the order parameters are reduction consistent, conservative, and bounded, which are theoretically analyzed and numerically validated. Then, the multiphase Phase-Field models are coupled with the momentum equation by satisfying the consistency of mass conservation and the consistency of mass and momentum transport, thanks to the consistent formulation. Finally, it is demonstrated that the proposed model and scheme converge to the sharp-interface solution and are capable of capturing the complicated multiphase dynamics even when there is a large density and/or viscosity ratio.

42 ENGINEERING↗