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NASA NTRS2019

Models of Terminal Arrival Efficiency Rate

Terminal Arrival Efficiency Rate (TAER) is a measure of TRACON performance and the impact of Traffic Management Initiatives (TMI) within 100 miles of the airport. This measures not just the approach control performance, but also ARTCC performance to deliver traffic evenly. Identifying conditions that lead to low TAER can allow development of method to improve it. In this study, we developed linear and decision tree models of TAER.

Air Traffic Management↗

DOE OSTI2024

Detecting Neutrons in MicroBooNE

A significant challenge in measurements of neutrino oscillations is reconstructing the incoming neutrino energies. While modern fully-active tracking calorimeters such as liquid argon time projection chambers in principle allow the measurement of all final state particles above some detection threshold, undetected neutrons remain a considerable source of missing energy with little to no data constraining their production rates and kinematics. We present the first demonstration of tagging neutrino-induced neutrons in liquid argon time projection chambers using secondary protons emitted from neutron-argon interactions in the MicroBooNE detector. We describe the method developed to identify neutrino-induced neutrons and demonstrate its performance using neutrons produced in muon-neutrino charged current interactions. The method is validated using a small subset of MicroBooNE's total dataset. The selection yields a sample with $60\%$ of selected tracks corresponding to neutron-induced secondary protons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1993

Retrieval of ice thickness from polarimetric SAR data

We describe a potential procedure for retrieving ice thickness from multi-frequency polarimetric SAR data for thin ice. This procedure includes first masking out the thicker ice types with a simple classifier and then deriving the thickness of the remaining pixels using a model-inversion technique. The technique used to derive ice thickness from polarimetric observations is provided by a numerical estimator or neural network. A three-layer perceptron implemented with the backpropagation algorithm is used in this investigation with several improved aspects for a faster convergence rate and a better accuracy of the neural network. These improvements include weight initialization, normalization of the output range, the selection of offset constant, and a heuristic learning algorithm. The performance of the neural network is demonstrated by using training data generated by a theoretical scattering model for sea ice matched to the database of interest. The training data are comprised of the polarimetric backscattering coefficients of thin ice and the corresponding input ice parameters to the scattering model. The retrieved ice thickness from the theoretical backscattering coefficients is compare with the input ice thickness to the scattering model to illustrate the accuracy of the inversion method. Results indicate that the network convergence rate and accuracy are higher when multi-frequency training sets are presented. In addition, the dominant backscattering coefficients in retrieving ice thickness are found by comparing the behavior of the network trained backscattering data at various incidence angels. After the neural network is trained with the theoretical backscattering data at various incidence anges, the interconnection weights between nodes are saved and applied to the experimental data to be investigated. In this paper, we illustrate the effectiveness of this technique using polarimetric SAR data collected by the JPL DC-8 radar over a sea ice scene.

Kwok, R.↗

DOE OSTI2018

Synthesis of porous MnO2-CoO microsheets and nanocones as a high-performance battery-type capacitive material

Highlights: • Porous MnO{sub 2}-CoO microsheets and nanocones (MCMSNCs) are synthesized. • Sodium dodecyl sulfate controls the formation of specific metal oxide structures. • MCMSNCs deliver excellent capacitive performance as a battery-type material. - Abstract: A facile method via sodium dodecyl sulfate (SDS)-templated oil-bath followed by annealing treatment is reported to synthesize porous MnO{sub 2}-CoO microsheets and nanocones (MCMSNCs). Herein, surfactant SDS is firstly used to obtain Mn/Co hydroxide ultrathin microsheets and nanocones precursor, which is then transformed into interconnected porous MCMSNCs after heat treatment. As a battery-type capacitive electrode micro/nanomaterial, MCMSNCs exhibit an original specific capacity (148 C g{sup −1}) at a current density of 1 A g{sup −1} by chronopotentiometry. Moreover, MCMSNCs deliver good rate performance with 77% capacity retention from 1 to 16 A g{sup −1} and excellent cycle life with 20% loss of the maximum value as well as 118% retention of the initial one after 3000 cycles. The excellent capacitive performance of porous MCMSNCs endows it potential use as an anode electrode material in the application of electrochemical capacitors.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2015

A framework for stochastic simulation of distribution practices for hotel reservations

The focus of this study is primarily on the Greek hotel industry. The objective is to design and develop a framework for stochastic simulation of reservation requests, reservation arrivals, cancellations and hotel occupancy with a planning horizon of a tourist season. In Greek hospitality industry there have been two competing policies for reservation planning process up to 2003: reservations coming directly from customers and a reservations management relying on tour operator(s). Recently the Internet along with other emerging technologies has offered the potential to disrupt enduring distribution arrangements. The focus of the study is on the choice of distribution intermediaries. We present an empirical model for the hotel reservation planning process that makes use of a symbolic simulation, Monte Carlo method, as, requests for reservations, cancellations, and arrival rates are all sources of uncertainty. We consider as a case study the problem of determining the optimal booking strategy for a medium size hotel in Skiathos Island, Greece. Probability distributions and parameters estimation result from the historical data available and by following suggestions made in the relevant literature. The results of this study may assist hotel managers define distribution strategies for hotel rooms and evaluate the performance of the reservations management system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2013

Electrochemical Kinetics and Performance of Layered Composite Cathode Material Li[Li0.2Ni0.2Mn0.6]O2

Lithium-rich, manganese-rich (LMR) layered composite cathode material Li[Li0.2Ni0.2Mn0.6]O2 has been successfully prepared by a co-precipitation method and its structure is confirmed by XRD characterization. The material delivers a high discharge capacity of 281 mAh g-1, when charged and discharged at a low current density of 10 mA g-1. However, significant increase of cell polarization and decrease of discharge capacity are observed at voltages below 3.5 V with increasing current densities. Galvanostatic intermittent titration technique (GITT) analysis demonstrates that lithium ion intercalation/de-intercalation reactions in this material are kinetically controlled by Li2MnO3 and its activated MnO2 component. The relationship between the electrochemical kinetics and rate performance as well as cycling stability has been systematically investigated. High discharge capacity of 149 mAh g-1 can be achieved at 10 C charge rate and C/10 discharge rate. The result demonstrates that the Li2MnO3 based material could withstand high charge rate (except initial activation process), which is very promising for practical applications. A lower discharge current density is preferred to overcome the kinetic barrier of lithium ion intercalation into MnO2 component, in order to achieve higher discharge capacity even at high charge rates.

Environmental Molecular Sciences Laboratory↗

DOE OSTI2025

Harnessing Machine Learning to Predict MoS 2 Solid Lubricant Performance

Physical vapor deposited (PVD) molybdenum disulfide (MoS 2 ) solid lubricant coatings are an exemplar material system for machine learning methods due to small changes in process variables often causing large variations in microstructure and mechanical/tribological properties. Here, in this work, a gradient boosted regression tree machine learning method is applied to an existing experimental data set containing process, microstructure, and property information to create deeper insights into the process-structure–property relationships for molybdenum disulfide (MoS 2 ) solid lubricant coatings. The optimized and cross-validated models show good predictive capabilities for density, reduced modulus, hardness, wear rate, and initial coefficients of friction. The contribution of individual deposition variables (i.e., argon pressure, deposition power, target conditioning) on coating properties is highlighted through feature importance. The process-property relationships established herein show linear and non-linear relationships and highlight the influence of uncontrolled deposition variables (i.e., target conditioning) on the tribological performance.

MoS2↗

DOE OSTI2013

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

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

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

Impact on Water Heater Performance of Heating Methods that Promote Tank Temperature Stratification

During heating of a water heater tank, the vertical temperature stratification of the water can be increased or decreased, depending on the method of heating. Methods that increase stratification during heating include (1) removing cold water from the tank bottom, heating it, and re-introducing it to the tank top at relatively low flow rate, (2) using a heat exchanger wrapped around the tank, through which heating fluid (with finite specific heat) flows from top to bottom, and (3) using an immersed heat element that is relatively high in the tank. Using such methods allows for improved heat pump water heater (HPWH) cycle efficiencies when the heat pump can take advantage of the lower temperatures that exist lower in the tank, and accommodate the resulting glide. Transcritical cycles are especially well-suited to capitalize on this opportunity, and other HPWH configurations (that have been proposed elsewhere) may benefit as well. This work provides several stratification categories of heat pump water heater tank configurations relevant to their stratification potential. To illustrate key differences among categories, it also compiles available experimental data for (a) single pass pumped flow, (b) multi-pass pumped flow, and (c) top-down wrapped tank with transcritical refrigerant.

Gluesenkamp, Kyle R↗

DOE OSTI2014

SU-E-T-457: Design and Characterization of An Economical 192Ir Hemi-Brain Small Animal Irradiator

Purpose: To describe the design and dosimetric characterization of a simple and economical small animal irradiator. Methods: A high dose rate 192Ir brachytherapy source from a commercially available afterloader was used with a 1.3 centimeter thick tungsten collimator to provide sharp beam penumbra suitable for hemi-brain irradiation of mice. The unit is equipped with continuous gas anesthesia to allow robust animal immobilization. Dosimetric characterization of the device was performed with Gafchromic film. The penumbra from the small animal irradiator was compared under similar collimating conditions to the penumbra from 6 MV photons, 6 MeV electrons, and 20 MeV electrons from a linear accelerator as well as 300 kVp photons from an orthovoltage unit and Monte Carlo simulated 90 MeV protons. Results: The tungsten collimator provides a sharp penumbra suitable for hemi-brain irradiation, and dose rates on the order of 200 cGy/minute were achieved. The sharpness of the penumbra attainable with this device compares favorably to those measured experimentally for 6 MV photons, and 6 and 20 MeV electron beams from a linear accelerator. Additionally, the penumbra was comparable to those measured for a 300 kVp orthovoltage beam and a Monte Carlo simulated 90 MeV proton beam. Conclusions: The small animal irradiator described here can be built for under $1,000 and used in conjunction with any commercial brachytherapy afterloader to provide a convenient and cost-effective option for small animal irradiation experiments. The unit offers high dose rate delivery and sharp penumbra, which is ideal for hemi-brain irradiation of mice. With slight modifications to the design, irradiation of sites other than the brain could be accomplished easily. Due to its simplicity and low cost, the apparatus described is an attractive alternative for small animal irradiation experiments requiring a sharp penumbra.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2016

Effects of various Mg/Si ratios on microstructure and performance property of Al-Mg-Si alloy cables

High quality AA6101 aluminum cables are critical to electrical industry to meet the energy consumption requests. In the present work, the influence of Mg/Si ratios on the electrical conductivity and mechanical properties of AA6101 aluminum alloy was investigated. Wheatstone Bridge method and tensile test were employed to characterize the mechanical properties. X-ray Diffraction (XRD), Scanning Electron Microscope (SEM) and Transmission Electron Microscope (TEM) were used to understand the morphology of the precipitation and the mechanism of age hardening. It is found that excessive Si benefits high strength and high conductivity while excessive Mg plays a negative role in the strength and the conductivity of AA6101 cables. Excessive Si elements promote both the precipitating rate and quantity of β″ phase therefore increase the tensile strength. Excessive Si elements also help with decreasing the lattice distortion, which contributes to the enhancement of the conductivity. Excessive Mg elements lead to more dissolved Mg after aging treatment, therefore increase lattice distortion of the matrix and promote the deposit of coarse Mg-enriched secondary phase. - Highlights: •A new available method to improve the mechanical and electrical properties of Al-Mg-Si alloy •Investigation on the role of various Mg/Si ratios in the changes of comprehensive performances •Discussions on the morphology of the precipitation phases and the mechanism of hardening.

36 MATERIALS SCIENCE↗

DOE OSTI2014

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

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2013

A novel in situ trigger combination method

Searches for rare physics processes using particle detectors in high-luminosity colliding hadronic beam environments require the use of multi-level trigger systems to reject colossal background rates in real time. In analyses like the search for the Higgs boson, there is a need to maximize the signal acceptance by combining multiple different trigger chains when forming the offline data sample. In such statistically limited searches, datasets are often amassed over periods of several years, during which the trigger characteristics evolve and system performance can vary significantly. Reliable production cross-section measurements and upper limits must take into account a detailed understanding of the effective trigger inefficiency for every selected candidate event. We present as an example the complex situation of three trigger chains, based on missing energy and jet energy, that were combined in the context of the search for the Higgs (H) boson produced in association with a $W$ boson at the Collider Detector at Fermilab (CDF). We briefly review the existing techniques for combining triggers, namely the inclusion, division, and exclusion methods. We introduce and describe a novel fourth in situ method whereby, for each candidate event, only the trigger chain with the highest a priori probability of selecting the event is considered. We compare the inclusion and novel in situ methods for signal event yields in the CDF $WH$ search. This new combination method, by virtue of its scalability to large numbers of differing trigger chains and insensitivity to correlations between triggers, will benefit future long-running collider experiments, including those currently operating on the Large Hadron Collider.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2017

Single–Column Model Simulations of Subtropical Marine Boundary–Layer Cloud Transitions Under Weakening Inversions

Results are presented of the GASS/EUCLIPSE single-column model inter-comparison study on the subtropical marine low-level cloud transition. A central goal is to establish the performance of state-of-the-art boundary-layer schemes for weather and climate models for this cloud regime, using large-eddy simulations of the same scenes as a reference. A novelty is that the comparison covers four different cases instead of one, in order to broaden the covered parameter space. Three cases are situated in the North-Eastern Pacific, while one reflects conditions in the North-Eastern Atlantic. A set of variables is considered that reflects key aspects of the transition process, making use of simple metrics to establish the model performance. Using this method some longstanding problems in low level cloud representation are identified. Considerable spread exists among models concerning the cloud amount, its vertical structure and the associated impact on radiative transfer. Here, the sign and amplitude of these biases differ somewhat per case, depending on how far the transition has progressed. After cloud breakup the ensemble median exhibits the well-known “too few too bright” problem. The boundary layer deepening rate and its state of decoupling are both underestimated, while the representation of the thin capping cloud layer appears complicated by a lack of vertical resolution. Encouragingly, some models are successful in representing the full set of variables, in particular the vertical structure and diurnal cycle of the cloud layer in transition. An intriguing result is that the median of the model ensemble performs best, inspiring a new approach in subgrid parameterization.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

CFD Modeling and Image Analysis of Exhaled Aerosols due to a Growing Bronchial Tumor: towards Non-Invasive Diagnosis and Treatment of Respiratory Obstructive Diseases

Diagnosis and prognosis of tumorigenesis are generally performed with CT, PET, or biopsy. Such methods are accurate, but have the limitations of high cost and posing additional health risks to patients. In this study, we introduce an alternative computer aided diagnostic tool that can locate malignant sites caused by tumorigenesis in a non-invasive and low-cost way. Our hypothesis is that exhaled aerosol distribution is unique to lung structure and is sensitive to airway structure vari-ations. With appropriate approaches, it is possible to locate the disease site, determine the disease severity, and subsequently formulate a targeted drug delivery plan to treat the disease. This study numerically evaluated the feasibility of the proposed breath test in an image-based lung model with varying pathological stages of a bronchial squamous tumor. Large eddy simulations and a Lagran-gian tracking approach were used to model respiratory airflows and aerosol dynamics. Respira-tions of tracer aerosols of 1 µm at a flow rate of 20 L/min were simulated, with the distributions of exhaled aerosols recorded on a filter at the mouth exit. Aerosol patterns were quantified with multiple analytical techniques such as concentration disparity, spatial scanning and fractal analysis. We demonstrated that a growing bronchial tumor induced notable variations in both the airflow and exhaled aerosol distribution. These variations became more apparent with increasing tumor severity. The exhaled aerosols exhibited distinctive pattern parameters such as spatial probability, fractal dimension, and multifractal spectrum. Results of this study show that morphometric measures of the exhaled aerosol pattern can be used to detect and monitor the pathological states of respiratory diseases in the upper airway. The proposed breath test also has the potential to locate the site of the disease, which is critical in developing a personalized, site-specific drug de-livery protocol.

Aerosol breath test↗

DOE OSTI2015

Development of a 3D optical scanning-based automatic quality assurance system for proton range compensators

Purpose: A new automatic quality assurance (AutoRCQA) system using a three-dimensional scanner (3DS) with system automation was developed to improve the accuracy and efficiency of the quality assurance (QA) procedure for proton range compensators (RCs). The system performance was evaluated for clinical implementation. Methods: The AutoRCQA system consists of a three-dimensional measurement system (3DMS) based on 3DS and in-house developed verification software (3DVS). To verify the geometrical accuracy, the planned RC data (PRC), calculated with the treatment planning system (TPS), were reconstructed and coregistered with the measured RC data (MRC) based on the beam isocenter. The PRC and MRC inner surfaces were compared with composite analysis (CA) using 3DVS, using the CA pass rate for quantitative analysis. To evaluate the detection accuracy of the system, the authors designed a fake PRC by artificially adding small cubic islands with side lengths of 1.5, 2.5, and 3.5 mm on the inner surface of the PRC and performed CA with the depth difference and distance-to-agreement tolerances of [1 mm, 1 mm], [2 mm, 2 mm], and [3 mm, 3 mm]. In addition, the authors performed clinical tests using seven RCs [computerized milling machine (CMM)-RCs] manufactured by CMM, which were designed for treating various disease sites. The systematic offsets of the seven CMM-RCs were evaluated through the automatic registration function of AutoRCQA. For comparison with conventional technique, the authors measured the thickness at three points in each of the seven CMM-RCs using a manual depth measurement device and calculated thickness difference based on the TPS data (TPS-manual measurement). These results were compared with data obtained from 3DVS. The geometrical accuracy of each CMM-RC inner surface was investigated using the TPS data by performing CA with the same criteria. The authors also measured the net processing time, including the scan and analysis time. Results: The AutoRCQA system accurately detected all fake objects in accordance with the given criteria. The median systematic offset of the seven CMM-RCs was 0.08 mm (interquartile range: −0.25 to 0.37 mm) and −0.08 mm (−0.58 to 0.01 mm) in the X- and Y-directions, respectively, while the median distance difference was 0.37 mm (0.23–0.94 mm). The median thickness difference of the TPS-manual measurement at points 1, 2, and 3 was −0.4 mm (−0.4 to −0.2 mm), −0.2 mm (−0.3 to 0.0 mm), and −0.3 mm (−0.6 to −0.1 mm), respectively, while the median difference of 3DMS was 0.0 mm (−0.1 to 0.2 mm), 0.0 mm (−0.1 to 0.3 mm), and 0.1 mm (−0.1 to 0.2 mm), respectively. Thus, 3DMS showed slightly better values compared to the manual measurements for points 1 and 3 in statistical analysis (p < 0.05). The average pass rate of the seven CMM-RCs was 97.97% ± 1.68% for 1-mm CA conditions, increasing to 99.98% ± 0.03% and 100% ± 0.00% for 2- and 3-mm CA conditions, respectively. The average net analysis time was 18.01 ± 1.65 min. Conclusions: The authors have developed an automated 3DS-based proton RC QA system and verified its performance. The AutoRCQA system may improve the accuracy and efficiency of QA for RCs.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2021

Adaptive Mesh Refinement for Parallel in Time Methods

The project applied the multigrid-reduction-in-time (MGRIT) algorithm to an existing sub-cycled adaptive mesh refinement (AMR) code to investigate the performance of flows dominated by inertial physics. Previous work demonstrated good performance from MGRIT+AMR applied to flows dominated by diffusive physics. Consistent with previous experience, inertial physics negatively affected convergence rates and performance. Efforts to circumvent this issue by appealing to the physics of turbulence were investigated. It has been demonstrated that scales can be effectively transferred between multigrid levels for a turbulent flow resulting in a) partial convergence observed and b) nearly identical results to sequential time-stepping. Performance improvements have not yet been demonstrated - attempts at coarsening the grid on coarser MG levels compromises the solution quality and leads to divergence. This report summarize the accomplishments for the time-frame from 10/5/2020 to 12/31/2020 with an informal no-cost-extension to 05/20/2021

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Estimation of the Water Table Position in Unconfined Aquifers with MODFLOW 6

Abstract The numerical estimation of the position of the water table in unconfined aquifers is important for many practical applications. Its determination through observations or analytical methods is restricted to a few cases. Therefore, it is often estimated through numerical simulations, which may be affected by numerical artifacts and/or poor stability. We use MODFLOW to estimate the position of the water table for a seemingly simple example problem and demonstrate difficulties that can be faced when performing this kind of numerical simulation. We explain the causes for the numerical challenges that originate from the properties of the mathematical equations that must be solved. Based on the results of more than 600 steady‐state simulations, we show how the stability of the numerical solution can be affected by the values of physical parameters that define the problem (e.g., recharge rate, anisotropy ratio, and other parameters that control the numerical algorithm such as settings of the linear and nonlinear solution methods). Finally, we comment on some best practices to apply numerical simulations to estimate the water table position.

Geology↗