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At least 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Application of Frequency of Detection Methods in Design and Optimization of the INL Site Ambient Air Monitoring Network

This report presents an evaluation of a hypothetical INL Site monitoring network and the existing INL air monitoring network using frequency of detection methods. The hypothetical network was designed to address the requirement in 40 CFR Part 61, Subpart H (2006) that “emissions of radionuclides to ambient air from U.S. DOE facilities shall not exceed those amounts that would cause any member of the public to receive in any year an effective dose equivalent exceeding 10 mrem/year.” To meet the requirement for monitoring only, “radionuclide releases that would result in an effective dose of 10% of the standard shall be readily detectable and distinguishable from background.” Thus, the hypothetical network consists of air samplers placed at residence locations that surround INL and at other locations where onsite livestock grazing takes place. Two exposure scenarios were used in this evaluation: a resident scenario and a shepherd/rancher scenario. The resident was assumed to be continuously present at their residence while the shepherd/rancher was assumed to be present 24-hours at a fixed location on the grazing allotment. Important radionuclides were identified from annual INL radionuclide National Emission Standards for Hazardous Pollutants reports. Important radionuclides were defined as those that potentially contribute 1% or greater to the annual total dose at the radionuclide National Emission Standards for Hazardous Pollutants maximally exposed individual location and include H-3, Am-241, Pu-238, Pu 239, Cs-137, Sr-90, and I-131. For this evaluation, the network performance objective was set at achieving a frequency of detection greater than or equal to 95%. Results indicated that the hypothetical network for the resident scenario met all performance objectives for H-3 and I-131 and most performance objectives for Cs-137 and Sr-90. However, all actinides failed to meet the performance objectives for most sources. The shepherd/rancher scenario showed that air samplers placed around the facilities every 22.5 degrees were very effective in detecting releases, but this arrangement is not practical or cost effective. However, it was shown that a few air samplers placed in the prevailing wind direction around each facility could achieve the performance objective of a frequency of detection greater than or equal to 95% for the shepherd/rancher scenario. The results also indicate some of the current sampler locations have little or no impact on the network frequency of detection and could be removed from the network with no appreciable deterioration of performance. Results show that with some slight modifications to the existing network (i.e., additional samplers added north and south of the Materials and Fuels Complex and ineffective samplers removed), the network would achieve performance objectives for all sources for both the resident and shepherd/rancher scenario.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Optimization Through Multi-Fidelity Modeling

We present a novel method for optimizing parameter selection for simulations with an evaluation budget. We start with an existing method for building a multi-fidelity model out of many low-fidelity simulations and few high-fidelity simulations. We propose a novel method to simplify parameter selection without sacrificing performance. We verify these results and compare with existing literature. Next, we propose a novel algorithm which uses this difference model to suggest new points in the parameter design space to simulate. We add each point we simulate to the model to improve its quality for the next iteration. The algorithm trades off reducing the uncertainty of the existing model with optimization of the objective. The first is more useful when a large fraction of the computation budget remains. The second is more useful when a small fraction of the computation budget remains. Our method converges to the optimum by using a high-fidelity evaluation for just 16 of the 427 points. Our method is general enough to work if there is no low-fidelity model. Furthermore, it is agnostic to the underlying physics of the problem. Therefore, both the low-fidelity and high-fidelity models can be generated by any arbitrary function, including simulations and physical experiments.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Evaluating Linear Ion Trap for MS3-Based Multiplexed Single-Cell Proteomics

There is a growing demand to develop high-throughput and high-sensitivity mass spectrometry methods for single-cell proteomics. The commonly used isobaric labeling-based multiplexed single-cell proteomics approach suffers from distorted protein quantification due to co-isolated interfering ions during MS/MS fragmentation, also known as ratio compression. We reasoned that the use of MS3-based quantification could mitigate ratio compression and provide better quantification. However, previous studies indicated reduced proteome coverages in the MS3 method, likely due to long duty cycle time and ion losses during multilevel ion selection and fragmentation. Here, in this paper, we described an improved MS acquisition method for MS3-based single-cell proteomics by employing a linear ion trap to measure reporter ions. We demonstrated that linear ion trap can increase the proteome coverages for single-cell-level peptides with even higher gain obtained via the MS3 method. The optimized real-time search MS3 method was further applied to study the immune activation of single macrophages. Among a total of 126 single cells studied, over 1200 and 1000 proteins were quantifiable when at least 50 and 75% nonmissing data were required, respectively. Our evaluation also revealed several limitations of the low-resolution ion trap detector for multiplexed single-cell proteomics and suggested experimental solutions to minimize their impacts on single-cell analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Asymptotic solution for heat convection-radiation equation

In this paper, we employ a new approximate analytical method called the optimal homotopy asymptotic method (OHAM) to solve steady state heat transfer problem in slabs. The heat transfer problem is modeled using nonlinear two-point boundary value problem. Using OHAM, we obtained the approximate analytical solution for dimensionless temperature with different values of a parameter ε. Further, the OHAM results for dimensionless temperature have been presented graphically and in tabular form. Comparison has been provided with existing results from the use of homotopy perturbation method, perturbation method and numerical method. For numerical results, we used Runge-Kutta Fehlberg fourth-fifth order method. It was found that OHAM produces better approximate analytical solutions than those which are obtained by homotopy perturbation and perturbation methods, in the sense of closer agreement with results obtained from the use of Runge-Kutta Fehlberg fourth-fifth order method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Scalable and fast heterogeneous molecular simulation with predictive parallelization schemes

Multiscale and inhomogeneous molecular systems are challenging topics in the field of molecular simulation. In particular, modeling biological systems in the context of multiscale simulations and exploring material properties are driving a permanent development of new simulation methods and optimization algorithms. In computational terms, those methods require parallelization schemes that make a productive use of computational resources for each simulation and from its genesis. Here, we introduce the heterogeneous domain decomposition approach, which is a combination of an heterogeneity-sensitive spatial domain decomposition with an a priori rearrangement of subdomain walls. Within this approach and paper, the theoretical modeling and scaling laws for the force computation time are proposed and studied as a function of the number of particles and the spatial resolution ratio. We also show the new approach capabilities, by comparing it to both static domain decomposition algorithms and dynamic load-balancing schemes. Specifically, two representative molecular systems have been simulated and compared to the heterogeneous domain decomposition proposed in this work. Finally, these two systems comprise an adaptive resolution simulation of a biomolecule solvated in water and a phase-separated binary Lennard-Jones fluid.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Electrochemistry of the Arrow Poison, Tubocurarine, Using Boron Doped Diamond Electrode: Experimental and Theoretical Approaches

In present work boron doped diamond (BDD) electrode was applied for studying electrochemical behavior, as well as for quantitative determination of natural alkaloid, tubocurarine (arrow poison/ TUB). Electrochemical behavior was investigated using several organic solvents and aqueous buffers, at different pHs, as supporting electrolytes. After selection of the most appropriate supporting electrolyte and investigation of its electrochemical behavior, analytical procedures for quantitative analysis of TUB were developed in an acetonitrile/methanol (80:20) mixture and in 1 mol L−1 nitric acid, which had linear quantification ranges from 4 × 10−6 to 1 × 10−4 mol L−1 (LOD = 3.07 × 10−6 mol L−1) and 4 × 10−6 to 9 × 10−5 mol L−1 (LOD = 2.45 × 10−6 mol L−1 and 5.28 × 10−7 mol L−1, depending on the selected peak), respectively. The oxidation mechanism of TUB was proposed from the theoretical aspect. Remarkable selectivity and good sensitivity were obtained after the TUB quantification method was optimized, allowing application of the developed method for TUB quantification in biological fluids, with excellent reproducibility, accuracy and precision.

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

Design, analysis and preliminary numerical results for the nonconforming VEM for parabolic problems

The virtual element method (VEM) is a numerical methodology for solving partial differential equations on unstructured polytopal meshes. In this work, we extend the nonconforming high-order formulation suitable to time-dependent diffusion problems with possibly nonlinear forcing terms. Coupling high-order virtual element formulations in space with time-marching schemes based on Backward Differention Formulas (BDFs) makes a fully discrete method with optimal order of convergence in the Method of Lines framework. We investigate and assess the performance of the method through theoretical analysis and a set of numerical experiments.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

An optimization-based strategy for peridynamic-FEM coupling and for the prescription of nonlocal boundary conditions

We develop and analyze an optimization-based method for the coupling of a static peridynamic (PD) model and a static classical elasticity model. The approach formulates the coupling as a control problem in which the states are the solutions of the PD and classical equations, the objective is to minimize their mismatch on an overlap of the PD and classical domains, and the controls are virtual volume constraints and boundary conditions applied at the local-nonlocal interface. Our numerical tests performed on three-dimensional geometries illustrate the consistency and accuracy of our method, its numerical convergence, and its applicability to realistic engineering geometries. We demonstrate the coupling strategy as a means to reduce computational expense by confining the nonlocal model to a subdomain of interest, and as a means to transmit local (e.g., traction) boundary conditions applied at a surface to a nonlocal model in the bulk of the domain.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Optimization of scat detection methods for a social ungulate, the wild pig, and experimental evaluation of factors affecting detection of scat

Collection of scat samples is common in wildlife research, particularly for genetic capture-mark-recapture applications. Due to high degradation rates of genetic material in scat, large numbers of samples must be collected to generate robust estimates. Optimization of sampling approaches to account for taxa-specific patterns of scat deposition is, therefore, necessary to ensure sufficient sample collection. While scat collection methods have been widely studied in carnivores, research to maximize scat collection and noninvasive sampling efficiency for social ungulates is lacking. Further, environmental factors or scat morphology may influence detection of scat by observers. We contrasted performance of novel radial search protocols with existing adaptive cluster sampling protocols to quantify differences in observed amounts of wild pig ( Sus scrofa ) scat. We also evaluated the effects of environmental (percentage of vegetative ground cover and occurrence of rain immediately prior to sampling) and scat characteristics (fecal pellet size and number) on the detectability of scat by observers. We found that 15- and 20-m radial search protocols resulted in greater numbers of scats encountered than the previously used adaptive cluster sampling approach across habitat types, and that fecal pellet size, number of fecal pellets, percent vegetative ground cover, and recent rain events were significant predictors of scat detection. Our results suggest that use of a fixed-width radial search protocol may increase the number of scats detected for wild pigs, or other social ungulates, allowing more robust estimation of population metrics using noninvasive genetic sampling methods. Further, as fecal pellet size affected scat detection, juvenile or smaller-sized animals may be less detectable than adult or large animals, which could introduce bias into abundance estimates. In conclusion, knowledge of relationships between environmental variables and scat detection may allow researchers to optimize sampling protocols to maximize utility of noninvasive sampling for wild pigs and other social ungulates.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

An Optimization-based Atomistic-to-Continuum Coupling Method

In this paper, we present a new optimization-based method for atomistic-to-continuum (AtC) coupling. The main idea is to cast the latter as a constrained optimization problem with virtual Dirichlet controls on the interfaces between the atomistic and continuum subdomains. The optimization objective is to minimize the error between the atomistic and continuum solutions on the overlap between the two subdomains, while the atomistic and continuum force balance equations provide the constraints. Separation, rather then blending of the atomistic and continuum problems, and their subsequent use as constraints in the optimization problem distinguishes our approach from the existing AtC formulations. Finally, we present and analyze the method in the context of a one-dimensional chain of atoms modeled using a linearized two-body potential with next-nearest neighbor interactions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Dynamic Optimization of Switched-Reluctance Motors

A design algorithm is proposed for switched-reluctance motors used in manufacturing systems. The algorithm includes an optimization procedure and is based on the Monte Carlo method. In optimization of the magnetic system, it is advisable to take account of the motor’s operating conditions. The results of optimization are compared. Recommendations are made regarding the selection of the tooth-zone dimensions.

42 ENGINEERING↗
DOE OSTI2017

Optimizing the configuration of transport and storage systems

A method is proposed for selecting the configuration of transport and storage systems. The method permits optimization of the configuration of transport hubs and storage systems so as to facilitate loading, unloading, storage, and handling of loads, with minimal capital and operating costs.

42 ENGINEERING↗
DOE OSTI2019

Linear optimal power flow system and method

An electric power system or power grid is optimized using a computer-implemented tool the represents in computer memory the optimization function and at least one constraint, which the processor operates upon using a linear programming solver algorithm. The constraints are represented in memory as data structures that include both real and reactive power terms, corresponding to at least one of a power flow model and a transmission line model. The transmission line model is represented using a piecewise linear representation. The power flow model may also include for each node in the power system a real power loss term representing transmission line loss allocated to that node.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Adaptive Sampling Trust Region Method for Bi-fidelity Simulation Optimization [SWR-25-166]

Adaptive Sampling Trust Region Method for Bi-fidelity Simulation Optimization aims to demonstrate the effect of adaptive sampling-based bi-fidelity stochastic trust region method (ASTRO-BFDF). ASTRO-BFDF, derived from a derivative-free adaptive sampling trust-region optimization (ASTRO-DF) (Shashaani et al. 2018, Ha and Shashaani 2023), intended to efficiently solve the bi-fidelity simulation optimization.

Mueller, Juliane [National Laboratory of the Rocki↗
DOE OSTI2021

A Method to Design and Optimize Axial Flow Cyclones for Gas–Liquid Separation

This article provides a detailed design guide, optimization, and performance assessment for air–water separation of an axial flow cyclone. Axial flow cyclones (also known as swirl tube demisters, mist eliminators, or Austin–Write cyclones) have a range of applications in several different industries. This method of gas–liquid separation offers many benefits. Among these are high liquid separation efficiencies (near 99%) and an inline design that allows them to be more easily fitted into existing piping structures. Despite these benefits, there are several design parameters that have not been optimized for performance in wastewater purification applications. This research fills the gap in the literature by quantifying the effect of new design parameters on water collection efficiency, η water collection , and the air bypass efficiency, η air bypass , defined as the ratio of the air mass flowrate exiting through the desired air outlet over the inlet air mass flowrate. A set of wide-ranging experiments were conducted to study the effects of gas–liquid flow rates, tube geometry, and relative injection angles to optimize the water collection and air bypass efficiencies. The water collection efficiency exceeded 99.8% when the liquid streamline came in direct contact with the water drainage exit. An empirical correlation was developed to predict the swirl pitch as a function of the above design parameters. Predictions from the correlation were within 10% of the experimental results. The correlation can be used to design highly efficient in-line gas–liquid separators.

Engineering↗
DOE OSTI2016

TU-H-BRC-05: Stereotactic Radiosurgery Optimized with Orthovoltage Beams

Purpose: To achieve improved stereotactic radiosurgery (SRS) dose distributions using orthovoltage energy fluence modulation with inverse planning optimization techniques. Methods: A pencil beam model was used to calculate dose distributions from the institution’s orthovoltage unit at 250 kVp. Kernels for the model were derived using Monte Carlo methods as well as measurements with radiochromic film. The orthovoltage photon spectra, modulated by varying thicknesses of attenuating material, were approximated using open-source software. A genetic algorithm search heuristic routine was used to optimize added tungsten filtration thicknesses to approach rectangular function dose distributions at depth. Optimizations were performed for depths of 2.5, 5.0, and 7.5 cm, with cone sizes of 8, 10, and 12 mm. Results: Circularly-symmetric tungsten filters were designed based on the results of the optimization, to modulate the orthovoltage beam across the aperture of an SRS cone collimator. For each depth and cone size combination examined, the beam flatness and 80–20% and 90–10% penumbrae were calculated for both standard, open cone-collimated beams as well as for the optimized, filtered beams. For all configurations tested, the modulated beams were able to achieve improved penumbra widths and flatness statistics at depth, with flatness improving between 33 and 52%, and penumbrae improving between 18 and 25% for the modulated beams compared to the unmodulated beams. Conclusion: A methodology has been described that may be used to optimize the spatial distribution of added filtration material in an orthovoltage SRS beam to result in dose distributions at depth with improved flatness and penumbrae compared to standard open cones. This work provides the mathematical foundation for a novel, orthovoltage energy fluence-modulated SRS system.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

SU-C-204-02: Improved Patient-Specific Optimization of the Stopping Power Calibration for Proton Therapy Planning Using a Single Proton Radiography

Purpose: We present an improved method to calculate patient-specific calibration curves to convert X-ray computed tomography (CT) Hounsfield Unit (HU) to relative stopping powers (RSP) for proton therapy treatment planning. Methods: By optimizing the HU-RSP calibration curve, the difference between a proton radiographic image and a digitally reconstructed X-ray radiography (DRR) is minimized. The feasibility of this approach has previously been demonstrated. This scenario assumes that all discrepancies between proton radiography and DRR originate from uncertainties in the HU-RSP curve. In reality, external factors cause imperfections in the proton radiography, such as misalignment compared to the DRR and unfaithful representation of geometric structures (“blurring”). We analyze these effects based on synthetic datasets of anthropomorphic phantoms and suggest an extended optimization scheme which explicitly accounts for these effects. Performance of the method is been tested for various simulated irradiation parameters. The ultimate purpose of the optimization is to minimize uncertainties in the HU-RSP calibration curve. We therefore suggest and perform a thorough statistical treatment to quantify the accuracy of the optimized HU-RSP curve. Results: We demonstrate that without extending the optimization scheme, spatial blurring (equivalent to FWHM=3mm convolution) in the proton radiographies can cause up to 10% deviation between the optimized and the ground truth HU-RSP calibration curve. Instead, results obtained with our extended method reach 1% or better correspondence. We have further calculated gamma index maps for different acceptance levels. With DTA=0.5mm and RD=0.5%, a passing ratio of 100% is obtained with the extended method, while an optimization neglecting effects of spatial blurring only reach ∼90%. Conclusion: Our contribution underlines the potential of a single proton radiography to generate a patient-specific calibration curve and to improve dose delivery by optimizing the HU-RSP calibration curve as long as all sources of systematic incongruence are properly modeled.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Freeway Loop Detector Data Reconciliation Based on Vehicle Conservation

Loop detector is the most common source of traffic flow measurements on freeways. Though being a mature technology, loop detector is prone to miscounts even when it is properly deployed and adjusted. If a loop detectors systematically over- or under-counts, the estimation based on vehicle conservation leads to results that are not physically plausible such as negative density or density higher than the jam-density. Here we propose an optimization-based method in which plausible values of accumulation is guaranteed through explicit constraints. Compared to similar methods, the proposed method distinct in the following: (i) the optimization problem is convex therefore leads to shorter computational time; (ii) occupancy is also taken into account in order to estimate upper and lower bounds in the accumulation between stations; (iii) no modifications are required when data from one or multiple lanes are missing. The method is first validated using micro-simulation by disturbing the loop-detector from micro-simulation, applying the method and then comparing the results with the ground truth data. The results show the method is able to capture the average counts almost exactly while providing estimate of density with satisfactory accuracy. The method is also successfully applied in a scenario in which field-data is available.

data reconciliation↗