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At least 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

MIGHTEE: total intensity radio continuum imaging and the COSMOS/XMM-LSS Early Science fields

ABSTRACT MIGHTEE is a galaxy evolution survey using simultaneous radio continuum, spectropolarimetry, and spectral line observations from the South African MeerKAT telescope. When complete, the survey will image ∼20 deg2 over the COSMOS, E-CDFS, ELAIS-S1, and XMM-Newton Large Scale Structure field (XMM-LSS) extragalactic deep fields with a central frequency of 1284 MHz. These were selected based on the extensive multiwavelength data sets from numerous existing and forthcoming observational campaigns. Here, we describe and validate the data processing strategy for the total intensity continuum aspect of MIGHTEE, using a single deep pointing in COSMOS (1.6 deg2) and a three-pointing mosaic in XMM-LSS (3.5 deg2). The processing includes the correction of direction-dependent effects, and results in thermal noise levels below 2 $\mathrm{\mu }$Jy beam−1 in both fields, limited in the central regions by classical confusion at ∼8 arcsec angular resolution, and meeting the survey specifications. We also produce images at ∼5 arcsec resolution that are ∼3 times shallower. The resulting image products form the basis of the Early Science continuum data release for MIGHTEE. From these images we extract catalogues containing 9896 and 20 274 radio components in COSMOS and XMM-LSS, respectively. We also process a close-packed mosaic of 14 additional pointings in COSMOS and use these in conjunction with the Early Science pointing to investigate methods for primary beam correction of broad-band radio images, an analysis that is of relevance to all full-band MeerKAT continuum observations, and wide-field interferometric imaging in general. A public release of the MIGHTEE Early Science continuum data products accompanies this article.

Heywood, I. (ORCID:0000000168645057)↗
DOE OSTI2016

SU-F-J-69: The Dosimetric Impact of Interfraction Anorectum and Bladder Variability in Prostate Radiation Therapy

Purpose: In the era of dose escalation and numerous protocols evaluating radiation delivery to the prostate, it is imperative to achieve accurate and standardized daily set up. At the Sylvester Comprehensive Cancer Center, patients are instructed to drink 8 ounces of water 30 minutes prior to RT and follow a low residue diet to ensure that the anorectum is not distended and the bladder is adequately filled. If daily CBCT imaging shows any variation, the patient is removed from the table and drinks water or evacuates their rectum prior to a repeat CBCT. Here we attempt to quantify the efficacy of this procedure. Methods: CBCTs were collected for 5 patients receiving 40 fractions of definitive treatment for prostate cancer. CBCTs were imported into MIM (v6.5.7, Cleveland OH) and the bladder, anorectum, and prostate were contoured. Using the daily registration reviewed by the attending physician, the planning dose was rigidly transferred to the daily CBCT. On days that multiple CBCTs were performed due to inadequate anorectum or bladder preparation, the repeated and final CBCTs were evaluated for variations in V40Gy and V65Gy to both the anorectum and bladder. Results: A high level of variability in doses to the anorectum and bladder was found in the scans that were not utilized for treatment. The aggregate lower quartile for the unused versus used CBCTs was 27.2% vs. 16.83% for V40Gy and 8.53% vs. 5.66% for V65Gy bladder. The upper quartiles showed to be 48.88% vs. 41.92% and 21.05% vs. 20.55%. The combined lower quartile for the unused vs. used CBCTs was 8.24% vs. 5.49% for V40Gy and 0.57% vs. 0.0% for V65Gy anorectum. The upper quartiles were 34.35% vs. 33.25% and 18.37% vs. 16.11%. Conclusion: This study shows that daily imaging is insufficient and that proper bladder and anorectum preparation are essential to deliver proper treatment.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

A Bayesian Approach for Statistical–Physical Bulk Parameterization of Rain Microphysics. Part II: Idealized Markov Chain Monte Carlo Experiments

Observationally informed development of a new framework for bulk rain microphysics, the Bayesian Observationally Constrained Statistical–Physical Scheme (BOSS; described in Part I of this study), is demonstrated. This scheme’s development is motivated by large uncertainties in cloud and weather simulations associated with approximations and assumptions in existing microphysics schemes. Here, a proof-of-concept study is introduced using a Markov chain Monte Carlo sampling algorithm with BOSS to probabilistically estimate microphysical process rates and parameters directly from a set of synthetically generated rain observations. The framework utilized is an idealized steady-state one-dimensional column rainshaft model with specified column-top rain properties and a fixed thermodynamical profile. Different configurations of BOSS—flexibility being a key feature of this approach—are constrained via synthetic observations generated from a traditional three-moment bulk microphysics scheme. The ability to retrieve correct parameter values when the true parameter values are known is illustrated. For cases when there is no set of true parameter values, the accuracy of configurations of BOSS that have different levels of complexity is compared. It is found that addition of the sixth moment as a prognostic variable improves prediction of the third moment (proportional to bulk rain mass) and rain rate. In contrast, increasing process rate formulation complexity by adding more power terms has little benefit—a result that is explained using further-idealized experiments. BOSS rainshaft simulations are shown to well estimate the true process rates from constraint by bulk rain observations, with the further benefit of rigorously quantified uncertainty of these estimates.

58 GEOSCIENCES↗
DOE OSTI2023

QA/QC-ed Groundwater Level Time Series in PLM-1 and PLM-6 Monitoring Wells, East River, Colorado (2016-2022)

This data set contains QA/QC-ed (Quality Assurance and Quality Control) water level data for the PLM1 and PLM6 wells. PLM1 and PLM6 are location identifiers used by the Watershed Function SFA project for two groundwater monitoring wells along an elevation gradient located along the lower montane life zone of a hillslope near the Pumphouse location at the East River Watershed, Colorado, USA. These wells are used to monitor subsurface water and carbon inventories and fluxes, and to determine the seasonally dependent flow of groundwater under the PLM hillslope. The downslope flow of groundwater in combination with data on groundwater chemistry (see related references) can be used to estimate rates of solute export from the hillslope to the floodplain and river. QA/QC analysis of measured groundwater levels in monitoring wells PLM-1 and PLM-6 included identification and flagging of duplicated values of timestamps, gap filling of missing timestamps and water levels, removal of abnormal/bad and outliers of measured water levels. The QA/QC analysis also tested the application of different QA/QC methods and the development of regular (5-minute, 1-hour, and 1-day) time series datasets, which can serve as a benchmark for testing other QA/QC techniques, and will be applicable for ecohydrological modeling. The package includes a Readme file, one R code file used to perform QA/QC, a series of 8 data csv files (six QA/QC-ed regular time series datasets of varying intervals (5-min, 1-hr, 1-day) and two files with QA/QC flagging of original data), and three files for the reporting format adoption of this dataset (InstallationMethods, file level metadata (flmd), and data dictionary (dd) files).QA/QC-ed data herein were derived from the original/raw data publication available at Williams et al., 2020 (DOI: 10.15485/1818367). For more information about running R code file (10.15485_1866836_QAQC_PLM1_PLM6.R) to reproduce QA/QC output files, see README (QAQC_PLM_readme.docx). This dataset replaces the previously published raw data time series, and is the final groundwater data product for the PLM wells in the East River. Complete metadata information on the PLM1 and PLM6 wells are available in a related dataset on ESS-DIVE: Varadharajan C, et al (2022). https://doi.org/10.15485/1660962. These data products are part of the Watershed Function Scientific Focus Area collection effort to further scientific understanding of biogeochemical dynamics from genome to watershed scales. 2022/09/09 Update: Converted data files using ESS-DIVE’s Hydrological Monitoring Reporting Format. With the adoption of this reporting format, the addition of three new files (v1_20220909_flmd.csv, V1_20220909_dd.csv, and InstallationMethods.csv) were added. The file-level metadata file (v1_20220909_flmd.csv) contains information specific to the files contained within the dataset. The data dictionary file (v1_20220909_dd.csv) contains definitions of column headers and other terms across the dataset. The installation methods file (InstallationMethods.csv) contains a description of methods associated with installation and deployment at PLM1 and PLM6 wells. Additionally, eight data files were re-formatted to follow the reporting format guidance (er_plm1_waterlevel_2016-2020.csv, er_plm1_waterlevel_1-hour_2016-2020.csv, er_plm1_waterlevel_daily_2016-2020.csv, QA_PLM1_Flagging.csv, er_plm6_waterlevel_2016-2020.csv, er_plm6_waterlevel_1-hour_2016-2020.csv, er_plm6_waterlevel_daily_2016-2020.csv, QA_PLM6_Flagging.csv). The major changes to the data files include the addition of header_rows above the data containing metadata about the particular well, units, and sensor description. 2023/01/18 Update: Dataset updated to include additional QA/QC-ed water level data up until 2022-10-12 for ER-PLM1 and 2022-10-13 for ER-PLM6. Reporting format specific files (v2_20230118_flmd.csv, v2_20230118_dd.csv, v2_20230118_InstallationMethods.csv) were updated to reflect the additional data. R code file (QAQC_PLM1_PLM6.R) was added to replace the previously uploaded HTML files to enable execution of the associated code. R code file (QAQC_PLM1_PLM6.R) and ReadMe file (QAQC_PLM_readme.docx) were revised to clarify where original data was retrieved from and to remove local file paths.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Planetary Boundary Layer Height (PBL) Value Added Product (VAP): Radiosonde Retrievals

The planetary boundary layer (PBL) can be defined as “that part of the troposphere that is directly influenced by the presence of the earth’s surface…” (Stull 1988). The PBL height (or mixing layer depth) can vary significantly with time due to a number of factors including large-scale dynamics, cloudiness, convective mixing, and the diurnal cycle of solar radiation. The structure and depth of the PBL is important to a wide range of atmospheric processes, including cloud formation; aerosol mixing, transport, and transformation; and chemical mixing, transport, and transformation. Errors in the determination of the PBL height in models can significantly impact the formation and maintenance of low-level clouds (Zeng et al. 2004). Routine estimates of PBL height are useful for a wide range of research projects and therefore, it was proposed that a PBL height value added product (VAP) be developed for the Atmospheric Radiation Measurement (ARM) program. Numerous instruments (e.g., radiosonde, ceilometer, backscatter lidar, Doppler wind lidar, and sodar) and algorithms have been used for PBL height detection, each with their own strengths and weaknesses (Seibert et al. 2000). In order to speed development of a PBL height product, it was decided to take a phased approach to data set development and begin with relatively simple and mature algorithms that can be applied to instruments available at all ARM sites before moving on to more sophisticated algorithms and/or instrumentation. In the first phase of the VAP development (described in this technical report), we describe the implementation of a PBL Height VAP for radiosonde measurements, which we refer to as the PBLHeightSonde VAP. Radiosonde measurements are one of the most common methods for determining PBL or mixing layer height. Often, experienced meteorologists manually estimate PBL height by examining profiles of potential temperature and moisture; however, several operational PBL height estimation methods have been developed (Seibert et al. 2000). As there is no “truth” to evaluate PBL height estimates and since the definition of PBL height is somewhat subjective, we implemented several different methods of estimating PBL or mixed layer height from radiosonde profiles. The differences between the estimates from the various methods can be considered a partial estimate of the uncertainty in the PBL height values.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Quantitative modeling of the accuracy in registering preoperative patient-specific anatomic models into left atrial cardiac ablation procedures

Purpose: In cardiac ablation therapy, accurate anatomic guidance is necessary to create effective tissue lesions for elimination of left atrial fibrillation. While fluoroscopy, ultrasound, and electroanatomic maps are important guidance tools, they lack information regarding detailed patient anatomy which can be obtained from high resolution imaging techniques. For this reason, there has been significant effort in incorporating detailed, patient-specific models generated from preoperative imaging datasets into the procedure. Both clinical and animal studies have investigated registration and targeting accuracy when using preoperative models; however, the effect of various error sources on registration accuracy has not been quantitatively evaluated. Methods: Data from phantom, canine, and patient studies are used to model and evaluate registration accuracy. In the phantom studies, data are collected using a magnetically tracked catheter on a static phantom model. Monte Carlo simulation studies were run to evaluate both baseline errors as well as the effect of different sources of error that would be present in a dynamicin vivo setting. Error is simulated by varying the variance parameters on the landmark fiducial, physical target, and surface point locations in the phantom simulation studies. In vivo validation studies were undertaken in six canines in which metal clips were placed in the left atrium to serve as ground truth points. A small clinical evaluation was completed in three patients. Landmark-based and combined landmark and surface-based registration algorithms were evaluated in all studies. In the phantom and canine studies, both target registration error and point-to-surface error are used to assess accuracy. In the patient studies, no ground truth is available and registration accuracy is quantified using point-to-surface error only. Results: The phantom simulation studies demonstrated that combined landmark and surface-based registration improved landmark-only registration provided the noise in the surface points is not excessively high. Increased variability on the landmark fiducials resulted in increased registration errors; however, refinement of the initial landmark registration by the surface-based algorithm can compensate for small initial misalignments. The surface-based registration algorithm is quite robust to noise on the surface points and continues to improve landmark registration even at high levels of noise on the surface points. Both the canine and patient studies also demonstrate that combined landmark and surface registration has lower errors than landmark registration alone. Conclusions: In this work, we describe a model for evaluating the impact of noise variability on the input parameters of a registration algorithm in the context of cardiac ablation therapy. The model can be used to predict both registration error as well as assess which inputs have the largest effect on registration accuracy.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Transient analysis of advancing contact angle measurements on polished rock surfaces

We report that contact angle measurements for gas-liquid-rock systems are important for modeling multi-phase flow and transport in the subsurface. These data are needed in applications such as the extraction of oil and gas resources, geologic sequestration of carbon dioxide, contaminant fate and transport, and aquifer recharge through the vadose zone. Contact angles are frequently measured with the sessile drop method. Previous research has largely ignored the dynamic behavior of sessile droplets on geologic materials. This study investigates the dynamic behavior of sessile water droplets on prepared rock surfaces in the presence of air. Droplet diameter and advancing contact angle were determined at 0.5 s intervals for ~90 s on flat polished disks of Burlington limestone, Crossville sandstone, Mancos shale, Sierra White granite, Vermilion Bay granite, and Westerly granite using a Krüss DSA 30 Drop Shape Analyzer. The droplet diameter and advancing contact angle data sets were nonlinearly regressed against time using two different two-parameter models. The median coefficients of determination for the fits were 0.85 and 0.96, respectively. The resulting parameter estimates were used to compute the apparent equilibrium contact angle, θ e , for each disk following droplet diameter stabilization. Estimates of θ e ranged from 37.2° for Mancos shale to 75.6° for Burlington limestone. Analysis of variance indicated statistically significant differences in θ e between the rock types at the 95% confidence level. The variability of θe on the polished rock surfaces, as quantified by the coefficient of variation (CV) for θ e , varied between ~3 and ~9%; there were no significant differences in CV between the rock types. Neutron radiography indicated changes droplet morphology over time were due to the spontaneous imbibition of water into the rock matrix. Finally, the transient analysis employed in this study permits a more meaningful estimate of the equilibrium contact angle for rocks than taking the initial value or averaging over time as is frequently done.

58 GEOSCIENCES↗
DOE OSTI2015

SU-E-T-474: Improvements to Intra-Oral Shield Design for Electron Beam Treatments: Use of Multi-Layered Metal Foils

Purpose: Intraoral electron shields used in radiotherapy are designed to minimize radiation exposure to non-treatment tissue. Sites where shields are used include but are not limited to, the treatment of lips, cheeks and ears whilst shielding the underlying oral cavity, tongue, gingival or temporal region. However their use produces an enhancement in dose on the beam side caused by an increase in electron backscatter radiation. This work designs a new shield incorporating copper, aluminium and wax in a step down filter arrangement to minimise backscatter whilst minimizing overall shield thickness. Methods: For electron beams ranging from 6 MeV to 10 MeV, shields of varying designs and thicknesses were assessed to determine the thinnest shield design that could be produced whilst minimising backscattered radiation to a clinically acceptable level. This was performed with conventional lead and wax shields as well as varying quantities of aluminium and copper foils. Results: From tested shield designs, a new shield design of 4 mm lead, 0.6 mm copper, 1.0 mm aluminium and 1.5 mm wax (3.1 mm added filtration, 7.1 mm total thickness) provided a clinically acceptable (no greater than 110% dose) backscatter and transmission reduction and matched a standard 4.5 mm lead and 10 mm wax (total thickness 14.5 mm) electron shield. Dose enhancement values of no more than 10 % were measured utilising this shield design with a 50 % reduction in shield thickness. Conclusion: The thinner layered shield reduced backscattered radiation dose to less than 10% enhancement for beam energies on 10 MeV and less and will allow easier patient set up. The thinner shields are tolerated better by patients when mucosal reactions occur as they place less physical pressure on these sites during treatment due to their smaller size and thickness.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Quantifying Errors in Effective Cluster Interactions of Lattice Gas Cluster Expansions

The promise of lattice gas (LG) cluster expansions (CEs) is that they can describe a given system property to any level of accuracy since the orthogonal “cluster basis functions” span the complete space of available configurations. Such an approach can be constructed to an arbitrarily large surface of a finite number of distinct adsorption sites. Unfortunately, this is only true for the case of an ideal, fixed lattice decorated with components at precise lattice points (the lattice “sites”) with no distortions or relaxations subsequently allowed. Since most systems, and surfaces specifically, do not conform to such an ideal set of constraints, errors in LG CEs must be expected or CE convergence severely hampered. Beyond this, numerical errors in the provided data can complicate the proper construction of a truly predictive and/or physically significant CE. In this work, we show here how reliance on typical statistical tools like confidence intervals cannot be expected to provide an accurate representation of the uncertainty of effective cluster interactions (ECIs) in the CE due to the nature of the target ab initio data and the nature of CEs themselves. We develop a method for estimating these errors that does not rely on statistical assumptions about the model or data. We then use these ECI errors to quantify fundamental consequences on the uncertainty of ECIs in CEs built from O/Fe(100) data whose surface and adsorbates have been allowed to relax in a typical manner and from O/Fe(100) data whose surface and adsorbates are fixed in ideal lattice positions. We also quantify the effect of using a different density functional theory exchange–correlation functional, using these ECI errors to assess the significance in any deviations. In both cases, our method is shown to have remarkable utility in the quantification of errors in the ECIs of CEs. While we stick to the lattice gas convention in this work, the method is equally applicable to the Ising convention or, in principle, any linear model of sufficient complexity.

08 HYDROGEN↗
DOE OSTI2015

SU-E-E-11: Novel Matching Module for Respiration-Gated Motion Tumor of Cone-Beam Computed Tomography (CBCT) to 4DCT

Purpose: Four dimensional computed tomography (4DCT) scans reliably record whole respiratory phase and generate internal target volumes (ITV) for radiotherapy planning. However, image guiding with cone-beam computed tomography (CBCT) cannot acquire all or specific respiratory phases. This study was designed to investigate the correlation between average CT and Maximum Intensity Projection (MIP) from 4DCT and CBCT. Methods: Retrospective respiratory gating were performed by GE Discovery CT590 RT. 4DCT and CBCT data from CRIS Dynamic Thorax Phantom with simulated breathing mode were analyzed. The lung tissue equivalent material encompassed 3 cm sphere tissue equivalent material. Simulated breathing cycle period was set as 4 seconds, 5 seconds and 6 seconds for representing variation of patient breathing cycle time, and the sphere material moved toward inferior and superior direction with 1 cm amplitude simulating lung tumor motion during respiration. Results: Under lung window, the volume ratio of CBCT scans to ITVs derived from 10 phases average scans was 1.00 ± 0.02, and 1.03 ± 0.03 for ratio of CBCT scans to MIP scans. Under abdomen window, the ratio of CBCT scans to ITVs derived from 10 phases average scans was 0.39 ± 0.06, and 0.06 ± 0.00 for ratio of CBCT scans to MIP scans. There was a significant difference between lung window Result and abdomen window Result. For reducing image guiding uncertainty, CBCT window was set with width 500 and level-250. The ratio of CBCT scans to ITVs derived from 4 phases average scans with abdomen window was 1.19 ± 0.02, and 1.06 ± 0.01 for ratio of CBCT to MIP scans. Conclusion: CBCT images with suitable window width and level can efficiently reduce image guiding uncertainty for patient with mobile tumor. By our setting, we can match motion tumor to gating tumor location on planning CT more accurately neglecting other motion artifacts during CBCT scans.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Electron Scattering from 1-Methyl-5-Nitroimidazole: Cross-Sections for Modeling Electron Transport through Potential Radiosensitizers

In this study, we present a complete set of electron scattering cross-sections from 1-Methyl-5-Nitroimidazole (1M5NI) molecules for impact energies ranging from 0.1 to 1000 eV. This information is relevant to evaluate the potential role of 1M5NI as a molecular radiosensitizers. The total electron scattering cross-sections (TCS) that we previously measured with a magnetically confined electron transmission apparatus were considered as the reference values for the present analysis. Elastic scattering cross-sections were calculated by means of two different schemes: The Schwinger multichannel (SMC) method for the lower energies (below 15 eV) and the independent atom model-based screening-corrected additivity rule with interferences (IAM-SCARI) for higher energies (above 15 eV). The latter was also applied to calculate the total ionization cross-sections, which were complemented with experimental values of the induced cationic fragmentation by electron impact. Double differential ionization cross-sections were measured with a reaction microscope multi-particle coincidence spectrometer. Using a momentum imaging spectrometer, direct measurements of the anion fragment yields and kinetic energies by the dissociative electron attachment are also presented. Cross-sections for the other inelastic channels were derived with a self-consistent procedure by sampling their values at a given energy to ensure that the sum of the cross-sections of all the scattering processes available at that energy coincides with the corresponding TCS. This cross-section data set is ready to be used for modelling electron-induced radiation damage at the molecular level to biologically relevant media containing 1M5NI as a potential radiosensitizer. Nonetheless, a proper evaluation of its radiosensitizing effects would require further radiobiological experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

High dimensional predictions of suicide risk in 4.2 million US Veterans using ensemble transfer learning

We present an ensemble transfer learning method to predict suicide from Veterans Affairs (VA) electronic medical records (EMR). A diverse set of base models was trained to predict a binary outcome constructed from reported suicide, suicide attempt, and overdose diagnoses with varying choices of study design and prediction methodology. Each model used twenty cross-sectional and 190 longitudinal variables observed in eight time intervals covering 7.5 years prior to the time of prediction. Ensembles of seven base models were created and fine-tuned with ten variables expected to change with study design and outcome definition in order to predict suicide and combined outcome in a prospective cohort. The ensemble models achieved c-statistics of 0.73 on 2-year suicide risk and 0.83 on the combined outcome when predicting on a prospective cohort of ~4.2 M veterans. The ensembles rely on nonlinear base models trained using a matched retrospective nested case-control (Rcc) study cohort and show good calibration across a diversity of subgroups, including risk strata, age, sex, race, and level of healthcare utilization. In addition, a linear Rcc base model provided a rich set of biological predictors, including indicators of suicide, substance use disorder, mental health diagnoses and treatments, hypoxia and vascular damage, and demographics. Similar content being viewed by others

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Beyond Fisher forecasting for cosmology

The planning and design of future experiments rely heavily on forecasting to assess the potential scientific value provided by a hypothetical set of measurements. The Fisher information matrix, due to its convenient properties and low computational cost, provides an especially useful forecasting tool. However, the Fisher matrix only provides a reasonable approximation to the true likelihood when data are nearly Gaussian distributed and observables have nearly linear dependence on the parameters of interest. Also, Fisher forecasting techniques alone cannot be used to assess their own validity. Thorough sampling of the exact or mock likelihood can definitively determine whether a Fisher forecast is valid, though such sampling is often prohibitively expensive. Here we propose a simple test, based on the Derivative Approximation for likelihoods (DALI) technique, to determine whether the Fisher matrix provides a good approximation to the exact likelihood. We show that the Fisher matrix becomes a poor approximation to the true likelihood in regions where two-dimensional slices of level surfaces of the DALI approximation to the likelihood differ from two-dimensional slices of level surfaces of the Fisher approximation to the likelihood. We demonstrate that our method accurately predicts situations in which the Fisher approximation deviates from the true likelihood for various cosmological models and several data combinations, with only a modest increase in computational cost compared to standard Fisher forecasts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

NDX: Neutron Dose Rate Meters with Extended Capabilities

Particle accelerators, irradiation facilities, and nuclear power plants would benefit from using neutron dose rate meters featuring improved energy response covering full range of expected neutron energies, improved dynamic range of measured dose rates while providing the real-time data, and improved ability to operate in harsh radiation environments including heavy photon backgrounds and pulsed beams. The novel design of the neutron moderator for the NDX dose rate meter implements a layer of a Beryllium-loaded medium Z material which, similar to the earlier known WENDI detectors, allows the device to detect higher energy neutron flux and convert it to dose. Using Beryllium helps to fill the known dip in the response functions around 5-50 MeV. Optimized design parameter set, obtained using FLUKA Monte Carlo simulations, features the NDX moderator made of polyethylene embedding a layer of BeCu alloy inside, with the dose rate response constant within ±10% in the neutron energy range from about 100 keV to 500 MeV, and ±25% essentially in the full energy range above thermal. A new sensor technique implemented in the NDX is based on using the Ionization Chamber (IC) filled with 3He gas to capture the moderated neutron fluence, and includes a symmetric IC filled with regular 4He to evaluate the contributions due to the non-neutron ionizing radiation. Advantages of the method include large accessible dynamic range, relative insensitivity of the IC probes to photon radiation fields, and the ability to subtract their contribution. Two prototype NDX detectors were built, calibrated, and operated in various conditions at the CEBAF 12 GeV electron accelerator at JLab. The first results showed reliable neutron dose rate measurements in the presence of overwhelming photon radiation fields, and at practical high dose rate levels of up to approximately 10 Sv/h. Detector design, operation, first results, and further development plans are presented.

Degtiarenko, Pavel V.↗
DOE OSTI2018

Ultrafast X-ray Transient Absorption Spectroscopy of Gas-Phase Photochemical Reactions: A New Universal Probe of Photoinduced Molecular Dynamics

Time-resolved spectroscopic investigations of light-induced chemical reactions with universal detection capitalize recently on single-photon molecular probing using laser pulses in the extreme ultraviolet or X-ray regimes. Direct and simultaneous mappings of the time-evolving populations of ground-state reactants, Franck-Condon (FC) and transition state regions, excited-state intermediates and conical intersections (CI), and photoproducts in photochemical reactions utilize probe pulses that are broadband and energy-tunable. The limits on temporal resolution are set by the transit- or dwell-time of the photoexcited molecules at specific locations on the potential energy surface, typically ranging from a few femtoseconds to several hundred picoseconds. Femtosecond high-harmonic generation (HHG) meets the stringent demands for a universal spectroscopic probe of large regions of the intramolecular phase-space in unimolecular photochemical reactions. Extreme-ultraviolet and soft X-ray pulses generated in this manner with few-femtosecond or sub-femtosecond durations have enormous bandwidths, allowing the probing of many elements simultaneously through excitation or ionization of core-electrons, creating molecular movies that shed light on entire photochemical pathways. At free electron lasers (FELs), powerful investigations are also possible, recognizing their higher flux and tunability but more limited bandwidths. Femtosecond time-resolved X-ray transient absorption spectroscopy, in particular, is a valuable universal probe of reaction pathways that maps changes via the fingerprint core-to-valence resonances. The particular power of this method over valence-ionization probes lies in its unmatched element and chemical-site specificities. The elements carbon, nitrogen, and oxygen constitute the fundamental building blocks of life; photochemical reactions involving these elements are ubiquitous, diverse, and manifold. However, table-top HHG sources in the "water-window" region (280-550 eV), which encompasses the 1s-absorption edges of carbon (284 eV), nitrogen (410 eV), and oxygen (543 eV), are far from abundant or trivial. Recent breakthroughs in the laboratory have embraced this region by using long driving-wavelength optical parametric amplifiers coupled with differentially pumped high-pressure gas source cells. This has opened avenues to study a host of photochemical reactions in organic molecules using femtosecond time-resolved transient absorption at the carbon K-edge. In this Account, we summarize recent efforts to deploy a table-top carbon K-edge source to obtain crucial chemical insights into ultrafast, ultraviolet-induced chemical reactions involving ring-opening, nonadiabatic excited-state relaxation, bond dissociation and radical formation. Here, the X-ray probe provides a direct spectroscopic viewport into the electronic characters and configurations of the valence electronic states through spectroscopic core-level transitions into the frontier molecular orbitals of the photoexcited molecules, laying fertile ground for the real-time mapping of the evolving valence electronic structure. The profound detail and mechanistic insights emerging from the pioneering experiments at the carbon K-edge are outlined here. Comparisons of the experimental methodology with other techniques employed to study similar reactions are drawn, where applicable and relevant. We show that femtosecond time-resolved X-ray transient absorption spectroscopy blazes a new trail in the study of nonadiabatic molecular dynamics. Despite table-top implementations being largely in their infancy, future chemical applications of the technique will set the stage for widely applicable, universal probes of photoinduced molecular dynamics with unprecedented temporal resolution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Monitoring leaf phenology in moist tropical forests by applying a superpixel-based deep learning method to time-series images of tree canopies

Tropical leaf phenology-particularly its variability at the tree-crown scale-dominates the seasonality of carbon and water fluxes. However, given enormous species diversity, accurate means of monitoring leaf phenology in tropical forests is still lacking. Time series of the Green Chromatic Coordinate (GCC) metric derived from tower-based red-green-blue (RGB) phenocams have been widely used to monitor leaf phenology in temperate forests, but its application in the tropics remains problematic. To improve monitoring of tropical phenology, we explored the use of a deep learning model (i.e. superpixel-based Residual Networks 50, SP-ResNet50) to automatically differentiate leaves from non-leaves in phenocam images and to derive leaf fraction at the tree-crown scale. To evaluate our model, we used a year of data from six phenocams in two contrasting forests in Panama. Here, we first built a comprehensive library of leaf and non-leaf pixels across various acquisition times, exposure conditions and specific phenocams. We then divided this library into training and testing components. We evaluated the model at three levels: 1) superpixel level with a testing set, 2) crown level by comparing the model-derived leaf fractions with those derived using image-specific supervised classification, and 3) temporally using all daily images to assess the diurnal stability of the model-derived leaf fraction. Finally, we compared the model-derived leaf fraction phenology with leaf phenology derived from GCC. Our results show that: 1) the SP-ResNet50 model accurately differentiates leaves from non-leaves (overall accuracy of 93%) and is robust across all three levels of evaluations; 2) the model accurately quantifies leaf fraction phenology across tree-crowns and forest ecosystems; and 3) the combined use of leaf fraction and GCC helps infer the timing of leaf emergence, maturation and senescence, critical information for modeling photosynthetic seasonality of tropical forests. Collectively, this study offers an improved means for automated tropical phenology monitoring using phenocams.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Advanced Laboratory and Field Arrays (ALFA)/Lab Collaboration Project (LCP) for Marine Energy (Final Scientific/Technical Report)

The objective of the Advanced Laboratory and Field Arrays (ALFA) project was to reduce the Levelized Cost of Energy (LCOE) of Marine and Hydrokinetic (MHK) energy by leveraging research, development, and testing capabilities at Oregon State University, University of Washington, and the University of Alaska, Fairbanks. ALFA is a project within the Pacific Marine Energy Center (PMEC; formerly NNMREC), a multi-institution entity with a diverse funding base that focuses on research and development for marine renewables. The ALFA project aimed to accelerate the development of next-generation arrays of wave energy conversion (WEC) and tidal energy conversion (TEC) devices through a suite of field-focused R&D activities spanning a broad range of strategic opportunity areas identified in the Funding Opportunity Announcement: • Device and/or array operation and maintenance (O&M) logistics development; • High-fidelity resource characterization and/or modeling technique development and validation; • Array-specific component technology development (e.g. moorings and foundations, transmission, and other offshore grid components); • Array performance testing and evaluation; and • Novel cost-effective environmental monitoring techniques and instrumentation testing and evaluation. The objective of the Lab Collaboration Project (LCP) was to accelerate the development of next-generation marine energy conversion systems. The LCP aimed to achieve these project objectives in collaboration with the national laboratories by: • Developing concept generation and assessment tools; • Improving access to existing testing resources; • Validating collision risk models between fish and turbines; and • Advancing analysis and simulation capabilities for wave-WEC interactions and PTO analysis in nonlinear ocean waves. The ALFA portion of the project was comprised of six overarching technical tasks: • Task 1: Debris Modeling, Detection and Mitigation; • Task 2: Autonomous Monitoring & Intervention; • Task 3: Resource Characterization for Extreme Conditions; • Task 4: Robust Models for Design of Offshore Anchoring and Mooring Systems; • Task 5: Performance Enhancement for Marine Energy Converter (MEC) Arrays; and • Task 6: Evaluating Sampling Techniques for MHK Biological Monitoring. The LCP was divided into four overarching technical tasks: • Task 7: Project Management and Reporting • Task 8: Novel Design and Assessment Methodologies for Wave Energy Converter Design (Wave- SPARC) • Task 9: Testing Access for Commercial Marine Renewable Energy Technology Developers • Task 10: Quantifying Collision Risk for Fish and Turbines • Task 11: Nonlinear Ocean Waves and PTO Control Strategy Each ALFA/LCP task listed above functioned as a separate and discreet project. A final Technical Report was written for each individual task and these reports were uploaded to OSTI, after receiving DOE approval. The following document is a compilation of each of these final, approved reports arranged as individual chapters.

13 HYDRO ENERGY↗
DOE OSTI2016

A simple quasi-diabatization scheme suitable for spectroscopic problems based on one-electron properties of interacting states

We present a simple quasi-diabatization scheme applicable to spectroscopic studies that can be applied using any wavefunction for which one-electron properties and transition properties can be calculated. The method is based on rotation of a pair (or set) of adiabatic states to minimize the difference between the given transition property at a reference geometry of high symmetry (where the quasi-diabatic states and adiabatic states coincide) and points of lower symmetry where quasi-diabatic quantities are desired. Compared to other quasi-diabatization techniques, the method requires no special coding, facilitates direct comparison between quasi-diabatic quantities calculated using different types of wavefunctions, and is free of any selection of configurations in the definition of the quasi-diabatic states. On the other hand, the method appears to be sensitive to multi-state issues, unlike recent methods we have developed that use a configurational definition of quasi-diabatic states. Results are presented and compared with two other recently developed quasi-diabatization techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗