Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Performance Rating Method”

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

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

Real-Time Adaptive Control Allocation Applied to a High Performance Aircraft

Abstract This paper presents the development and application of one approach to the control of aircraft with large numbers of control effectors. This approach, referred to as real-time adaptive control allocation, combines a nonlinear method for control allocation with actuator failure detection and isolation. The control allocator maps moment (or angular acceleration) commands into physical control effector commands as functions of individual control effectiveness and availability. The actuator failure detection and isolation algorithm is a model-based approach that uses models of the actuators to predict actuator behavior and an adaptive decision threshold to achieve acceptable false alarm/missed detection rates. This integrated approach provides control reconfiguration when an aircraft is subjected to actuator failure, thereby improving maneuverability and survivability of the degraded aircraft. This method is demonstrated on a next generation military aircraft Lockheed-Martin Innovative Control Effector) simulation that has been modified to include a novel nonlinear fluid flow control control effector based on passive porosity. Desktop and real-time piloted simulation results demonstrate the performance of this integrated adaptive control allocation approach.

Davidson, John B.↗
DOE OSTI2017

Conformal construction of polyaniline shell on cobalt oxide nanoflake core for enhanced Li ion storage

Highlights: • Construct non-axial polyaniline shell on Co{sub 3}O{sub 4} nanoflake core. • Non-axial core/shell arrays show enhanced Li storage properties. • Ultrathin PANI shell is favorable for fast ion and electron transfer. - Abstract: It is of great importance to controllably synthesize non-axial metal oxide/conducting polymers arrays for construction of high-performance electrochemical devices. In this work, we develop a facile electro-polymerization method to conformally coat interwoven polyaniline (PANI) shell on the preformed porous Co{sub 3}O{sub 4} nanoflakes forming non-axial Co{sub 3}O{sub 4}/PANI core/shell arrays. Uniform conductive PANI network and high porosity are realized in the non-axial core/shell arrays. As active materials for Li ion storage, the Co{sub 3}O{sub 4}/PANI core/shell arrays show superior high-rate performance including lower polarization, higher reactivity and better cycling life, as compared to the unmodified Co{sub 3}O{sub 4} nanoflake arrays. The capacity deterioration of the Co{sub 3}O{sub 4}/PANI arrays is restricted to a very lower level with a capacity of 871 mAh g{sup −1} at 0.25 A g{sup −1} after 100 cycles, better than the Co{sub 3}O{sub 4} counterpart (669 mAh g{sup −1} at 0.25 A g{sup −1}). This non-axial combination opens up a new door for developing advanced composite arrays for energy storage.

36 MATERIALS SCIENCE↗
DOE OSTI2016

SU-F-T-643: Feasibility of Performing Patient Specific VMAT QA On Single Linac for Plans Treated in Beam-Matched Elekta Agility Linacs

Purpose: The increasing application of VMAT demands a more efficient workflow and QA solution. This study aims to investigate the feasibility of performing VMAT QA measurements on one linac for plans treated on other beam-matched Elekta Agility linacs. Methods: A single model was used to create 24 clinically approved VMAT plans (12 head-and-neck and 12 prostate using 6MV and 10MV respectively) on Pinnacle v9.10 (Philips, Einhoven, Netherlands). All head-and-neck plans were delivered on three beam-matched machines while all prostate cases were delivered on two beam-matched 10MV Agility machines. All plans were delivered onto PTW Octavius 4D phantom with 1500 detector array (PTW, Freiburg, Germany). Reconstructed volume doses were then compared with the Pinnacle reference plans in Verisoft 6.1 under 3%/3mm gamma criteria at local dose. Plans were considered clinically acceptable if >90% of the voxels passing the gamma criteria. Results: All measurements were passed (3D gamma passing rate >90%) and the result shows that the mean difference of 3D gamma of 12 head-and-neck cases is 1.2% with standard deviation of 0.6%. While for prostate cases, the mean difference of 3D gamma is 0.9% with standard deviation of 0.7%. Maximum difference of 3D gamma of all measurements between beam-matched machines is less than 2.5%. The differences of passing rates between different machines were statistically insignificant (p>0.05). Conclusion. The result suggests that ther Conclusion: The result suggests that there exists a 3D gamma threshold, in our case 92.5%, above which the VMAT QA performed in any one of beam-matched machine will also pass in another one. Therefore, VMAT QA efficiency may be increased and phantom set up time can be saved by implementing such method. A constant performance across all beam matched machines must be maintained to make this QA approach feasible.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

A conservative, interface-resolved, compressible framework for the modeling and simulation of liquid/gas phase change

This paper presents a method for simulating evaporation in a compressible, interface-resolved framework appropriate for modeling problems of engineering interest. In order to achieve robustness and broad applicability, the method has been designed to discretely enforce consistent mass and thermal energy transport at the phase interface, to globally conserve mass, momentum, and energy, and to be capable of modeling compressible and incompressible systems. Verification is performed via the Sod-shock test, one-dimensional heat conduction, evaporation from a planar interface, and evaporation of three-dimensional droplets. Convergence with increasing mesh resolution is demonstrated in all tested configurations, and conservation is maintained near machine precision for a translating droplet. Conservation and accurate phase change rates are preserved at the low numerical resolutions commonly encountered in engineering calculations. Following verification, the method is validated by comparison to an empirical correlation for evaporating droplets in high temperature crossflow, and the presentation concludes with the simulation of an iso-octane spray at conditions representative of gasoline direct injection. In conclusion, successful verification, validation, and demonstrated practical utility suggest the method to be an accurate, efficient, and robust approach for the study of phase change in engineering systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

SU-F-R-52: A Comparison of the Performance of Radiomic Features From Free Breathing and 4DCT Scans in Predicting Disease Recurrence in Lung Cancer SBRT Patients

Purpose: There is a clinical need to identify patients who are at highest risk of recurrence after being treated with stereotactic body radiation therapy (SBRT). Radiomics offers a non-invasive approach by extracting quantitative features from medical images based on tumor phenotype that is predictive of an outcome. Lung cancer patients treated with SBRT routinely undergo free breathing (FB image) and 4DCT (average intensity projection (AIP) image) scans for treatment planning to account for organ motion. The aim of the current study is to evaluate and compare the prognostic performance of radiomic features extracted from FB and AIP images in lung cancer patients treated with SBRT to identify which image type would generate an optimal predictive model for recurrence. Methods: FB and AIP images of 113 Stage I-II NSCLC patients treated with SBRT were analysed. The prognostic performance of radiomic features for distant metastasis (DM) was evaluated by their concordance index (CI). Radiomic features were compared with conventional imaging metrics (e.g. diameter). All p-values were corrected for multiple testing using the false discovery rate. Results: All patients received SBRT and 20.4% of patients developed DM. From each image type (FB or AIP), nineteen radiomic features were selected based on stability and variance. Both image types had five common and fourteen different radiomic features. One FB (CI=0.70) and five AIP (CI range=0.65–0.68) radiomic features were significantly prognostic for DM (p<0.05). None of the conventional features derived from FB images (range CI=0.60–0.61) were significant but all AIP conventional features were (range CI=0.64–0.66). Conclusion: Features extracted from different types of CT scans have varying prognostic performances. AIP images contain more prognostic radiomic features for DM than FB images. These methods can provide personalized medicine approaches at low cost, as FB and AIP data are readily available within a large number of radiation oncology departments. R.M. had consulting interest with Amgen (ended in 2015).

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Efficient method for the measurement of lifetime optical damage performance of thin film coatings from laser damage size analysis

Here, a laser damage test method based on damage size analysis (DSA) is described that simplifies the derivation of the lifetime optical damage threshold of film materials critical in the design of devices used in high-repetition-rate, high-power laser systems. The DSA method presented here is solely based on imaging to measure the damage site size produced from exposure to a known Gaussian-shaped beam with a fixed, systematically selected fluence well above the ablation threshold. The method locates the damage boundary produced from repeated exposures, using images with a high contrast, and maps it to the beam profile to extract a lifetime laser damage fluence threshold value. We validate the DSA approach using a few relevant transparent film material systems and by comparing it to the standard S /1 laser damage test method. The DSA method can be more efficient and accelerate materials development and validation necessary to support the design of high-power repetition-rated lasers and optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Working fluid selection for organic Rankine cycle power generation using hot produced supercritical CO 2 from a geothermal reservoir

Geothermal heat mining simulations using supercritical CO 2 (sCO 2 ) were performed in this research. Working fluid selection criteria for power generation using sCO 2 from a geothermal reservoir are then presented for subcritical, superheated and supercritical organic Rankine cycles (ORCs). Meanwhile, method of working fluid classification for ORC is proposed. To get the most feasible ORC design, this study introduces the concept of “turning point” for isentropic and dry working fluids, as well as minimum turbine inlet temperature for wet working fluids. A thermodynamic model was developed with capabilities to obtain the optimal working fluid mass flow rate, evaporation temperature, superheated temperature, and supercritical pressure, to evaluate the thermal performance of the three ORC approaches using hot produced sCO 2 . With this model, thirty potential working fluids with critical temperatures in the range from 50 to 225 °C were screened for utilizing hot produced sCO 2 considering physical properties, environmental and safety impacts, and thermodynamic performances. Finally, the thermodynamic results were compared for all possible working fluids.

15 GEOTHERMAL ENERGY↗
DOE OSTI2015

SU-E-J-200: Operation of An Electron Accelerator On An Integrated MR-Linac System

Purpose: An integrated MRI guided radiotherapy system poses a challenge of operating a linear accelerator in the presence of a magnetic field as the magnetic force acting on the electrons could Result in radiation source displacement and subsequent reduction of dose output. It was the purpose of this work to test the performance of a linac in the presence of a 1.5T MRI system. Methods: The first experimental MRI guided radiotherapy system at UMC-Utrecht consisting of an Elekta linac rotating around a 1.5T Magnex magnet was examined. A passive magnetic shield was simulated, designed and installed to reduce the influence of the MRI magnet stray field on the electron beamline. The B field inside the shield was measured as a function of gantry angle and measurements of dose rate constancy upon gantry rotation were performed. Results: The magnitude of the magnetic field on the electron beam path without the shield was as high as 70G. It varied by up to 15G with gantry rotation due to the presence of metal beams in the bunker floor which resulted in dose output drop of up to 70% at certain gantry angles. With the prototype shield, field magnitude was reduced to well below 0.5G everywhere along the electron beam path. Field variation with gantry rotation was decreased to below 0.2G and enabled dose output of the linac to be recovered at all gantry angles. The homogeneity of the field inside the MRI magnet has not been compromised. Conclusion: It was demonstrated that the influence of the 1.5T magnet and the bunker design on the linac operation has been minimised. The performance will be further improved on the Elekta Atlantic system which incorporates a newly developed and optimised Philips magnet design and bunker construction. J Harasimowicz, D Roberts, I Shinton and S Sund are employed by Elekta Limited Crawley, H Wang and M Zhong are employed by Elekta Beijing Medical Systems Co. Ltd., J Overweg is employed by Philips Technologie GmbH Forschungslaboratorien.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Model-Based Extracted Water Desalination System for Carbon Sequestration

Over the last 1.5 years, GE Global Research and Pennsylvania State University defined a model-based, scalable, and multi-stage extracted water desalination system that yields clean water, concentrated brine, and, optionally, salt. The team explored saline brines that ranged across the expected range for extracted water for carbon sequestration reservoirs (40,000 up to 220,000 ppm total dissolved solids, TDS). In addition, the validated the system performance at pilot scale with field-sourced water using GE’s pre-pilot and lab facilities. This project encompassed four principal tasks, in addition to Project Management and Planning: 1) identify a deep saline formation carbon sequestration site and a partner that are suitable for supplying extracted water; 2) conduct a techno-economic assessment and down-selection of pre-treatment and desalination technologies to identify a cost-effective system for extracted water recovery; 3) validate the downselected processes at the lab/pre-pilot scale; and 4) define the scope of the pilot desalination project. Highlights from each task are described below: Deep saline formation characterization The deep saline formations associated with the five DOE NETL 1260 Phase 1 projects were characterized with respect to their mineralogy and formation water composition. Sources of high TDS feed water other than extracted water were explored for high TDS desalination applications, including unconventional oil and gas and seawater reverse osmosis concentrate. Technoeconomic analysis of desalination technologies Techno-economic evaluations of alternate brine concentration technologies, including humidification-dehumidification (HDH), membrane distillation (MD), forward osmosis (FO), turboexpander-freeze, solvent extraction and high pressure reverse osmosis (HPRO), were conducted. These technologies were evaluated against conventional falling film-mechanical vapor recompression (FF-MVR) as a baseline desalination process. Furthermore, a quality function deployment (QFD) method was used to compare alternate high TDS desalination technologies to FF-MVR. High pressure reverse osmosis was found to a be a promising alternative desalination technology. A deep-dive technoeconomic analysis of HPRO was performed, including Capex and Opex estimates, for seawater RO (SWRO). Additionally, two additional cases were explored: 1) a comparison of a SWRO plus HPRO system to the option of doubling the size of a standard seawater RO system to achieve the same total pure water recovery rate; and 2) a flue gas desulfurization wastewater treatment zero-liquid discharge (ZLD) application, where preconcentration with RO (SWRO or SWRO + HPRO) before evaporation and crystallization was compared to FF-MVR and crystallization technologies without RO preconcentration. Pre-pilot process validation Pre-pilot-scale tests were conducted using field production water to validate key process steps for extracted water pretreatment. Approximately 5,000 gallons of field produced water was processed through, microfiltration, ultrafiltration, and steam regenerable sorbent operations. Smaller quantities were processed through microclarification. In addition, analytical methods (purge-and-trap gas chromatography and Hach TOC analytical methods) were validated. Lab-scale HPRO elements were constructed and tested at high pressures, to identify and mitigate technical risks of the technology. Lastly, improvements in RO membrane materials were identified as the necessary next step to achieve further improvement in element performance at high pressure. Scope of Field Pilot A field pilot for extracted water pretreatment was designed.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2024

Accelerating transients with NekRS: GPU overlapping domain implementation and multi-rate timestepping

The simulation of nuclear transients using Computational Fluid Dynamics (CFD) presents significant computational challenges due to the inherent complexity and the wide separation in temporal scales between various flow physical phenomena. These disparities lead to high computational costs, often making the simulation of transients impractical without advanced techniques. Consequently, multiple research initiatives are being pursued by the NEAMS thermal-hydraulic area, some driven by academic institutions and some by national laboratories. Overall, they are exploring novel methods to make transient simulations more feasible and efficient. This report delves into recent advancements within the CFD code NekRS, specifically those achieved in Fiscal Year 2024 under the CONNECT effort, aimed at improving the performance and feasibility of transient simulations. The first major advancement involves the porting of NekRS to Aurora, one of the Department of Energy’s (DOE) most powerful supercomputers. Additionally, the report discusses the implementation of an overlapping domain capability within NekRS. This novel GPU-accelerated capability allows different spatial regions of the domain to be solved independently, enhancing the code’s efficiency, particularly when running large-scale simulations in complex domains. The scalability of this approach is demonstrated, highlighting its potential to transform how transients are approached in CFD simulations. Lastly, the report focuses on how this overlapping domain capability specifically accelerates transient simulations through multi-rate timestepping. By decoupling different regions and facilitating faster computations, this method offers a promising pathway to making nuclear transient simulations more computationally feasible, addressing one of the critical bottlenecks in the field. Together, these advancements represent a significant leap forward in transient simulation technology, bringing closer the possibility of handling highly complex nuclear scenarios with greater efficiency and accuracy.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

SU-F-BRE-16: VMAT Commissioning and Quality Assurance (QA) of An Elekta Synergy-STM Linac Using ICOM Test HarnessTM

Purpose: To establish a set of tests based on the iCOM software that can be used to commission and perform periodic QA of VMAT delivery on the Elekta Synergy-S, commonly known as the Beam Modulator (BM). Methods: iCOM is used to create and deliver customized treatment fields to characterize the system in terms of 1) MLC positioning accuracy under static and dynamic delivery with full gantry rotation, 2) MLC positioning with known errors, 3) Maximum dose rate, 4) Maximum MLC speed, 5) Maximum gantry speed, 6) Synchronization: gantry speed versus dose rate, and 7) Synchronization: MLC speed versus dose rate. The resulting images were captured on the iView GT and exported in DICOM format to Dosimetry Check™ system for visual and quantitative analysis. For the initial commissioning phase, the system tests described should be supplemented with extensive patient QAs covering all clinically relevant treatment sites. Results: The system performance test suite showed that on our Synergy-S, MLC positioning was accurate under both static and dynamic deliveries. Intentional errors of 1 mm were also easily identified on both static and dynamic picket fence tests. Maximum dose rate was verified with stop watch to be consistently between 475-480 MU/min. Maximum gantry speed and MLC speed were 5.5 degree/s and 2.5 cm/s respectively. After accounting for beam flatness, both synchronization tests, gantry versus dose rate and MLC speed versus dose rate, were successful as the fields were uniform across the strips and there were no obvious cold/hot spots. Conclusion: VMAT commissioning and quality assurance should include machine characterization tests in addition to patient QAs. Elekta iCOM is a valuable tool for the design of customized VMAT field with specific MU, MLC leaf positions, dose rate, and indirect control of MLC and gantry speed at each of its control points.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2022

Carbon-Binder Weight Loading Optimization for Improved Lithium-Ion Battery Rate Capability

Battery performance is strongly correlated with electrode microstructure and weight loading of the electrode components. Among them are the carbon-black and binder additives that enhance effective conductivity and provide mechanical integrity. However, these both reduce effective ionic transport in the electrolyte phase and reduce energy density. Therefore, an optimal additive loading is required to maximize performance, especially for fast charging where ionic transport is essential. Such optimization analysis is however challenging due to the nanoscale imaging limitations that prevent characterizing this additive phase and thus quantifying its impact on performance. Herein, an additive-phase generation algorithm has been developed to remedy this limitation and identify percolation threshold used to define a minimal additive loading. Improved ionic transport coefficients from reducing additive loading has been then quantified through homogenization calculation, macroscale model fitting, and experimental symmetric cell measurement, with good agreement between the methods. Rate capability test demonstrates capacity improvement at fast charge at the beginning of life, from 37% to 55%, respectively for high and low additive loading during 6C CC charging, in agreement with macroscale model, and attributed to a combination of lower cathode impedance, reduced electrode tortuosity and cathode thickness.

25 ENERGY STORAGE↗
DOE OSTI2016

High-order shock-fitted detonation propagation in high explosives

In this paper, a highly accurate numerical shock and material interface fitting scheme composed of fifth-order spatial and third- or fifth-order temporal discretizations is applied to the two-dimensional reactive Euler equations in both slab and axisymmetric geometries. High rates of convergence are not typically possible with shock-capturing methods as the Taylor series analysis breaks down in the vicinity of discontinuities. Furthermore, for typical high explosive (HE) simulations, the effects of material interfaces at the charge boundary can also cause significant computational errors. Fitting a computational boundary to both the shock front and material interface (i.e. streamline) alleviates the computational errors associated with captured shocks and thus opens up the possibility of high rates of convergence for multi-dimensional shock and detonation flows. Several verification tests, including a Sedov blast wave, a Zel'dovich–von Neumann–Döring (ZND) detonation wave, and Taylor–Maccoll supersonic flow over a cone, are utilized to demonstrate high rates of convergence to nontrivial shock and reaction flows. Comparisons to previously published shock-capturing multi-dimensional detonations in a polytropic fluid with a constant adiabatic exponent (PF-CAE) are made, demonstrating significantly lower computational error for the present shock and material interface fitting method. For an error on the order of 10 m / s , which is similar to that observed in experiments, shock-fitting offers a computational savings on the order of 1000. In addition, the behavior of the detonation phase speed is examined for several slab widths to evaluate the detonation performance of PBX 9501 while utilizing the Wescott–Stewart–Davis (WSD) model, which is commonly used in HE modeling. It is found that the thickness effect curve resulting from this equation of state and reaction model using published values is dramatically more steep than observed in recent experiments. Utilizing the present fitting strategy, in conjunction with a nonlinear optimizer, a new set of reaction rate parameters improves the correlation of the model to experimental results. In conclusion, this new model is tested against two dimensional slabs as a validation test.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2018

The Variable Saturation Hydraulic Conductivity Method for Improving Soil Water Content Simulation in EPIC and APEX Models

Core Ideas We propose VSHC for calculating soil water percolation in continuous models. VSHC relates permeability to daily hydraulic properties to estimate hydraulic conductivity. VSHC performed well at field scale and improved estimates of peak streamflows. Soil water percolation is a key process in the life cycle of water in fields, watersheds, and river basins. The Environmental Policy Integrated Climate (EPIC) and the Agricultural Policy/Environmental eXtender (APEX) are continuous models developed for evaluating the environmental effects of agricultural management. Traditionally, these models have simulated soil water percolation processes using a tipping‐bucket approach, with the rate of flow limited by the saturated hydraulic conductivity. This simple approach often leads to inaccuracy in simulating elevated soil water conditions where soil water content (SWC) levels may remain above field capacity under prolonged wet weather periods or limited drainage. To overcome this deficiency, a new submodel, the variable saturation hydraulic conductivity (VSHC) method, was developed for simulating soil water percolation processes using a nonlinear equation to estimate the effective hydraulic conductivity as a function of the SWC and soil properties. The VSHC method was evaluated at three sites in the United States and two sites in Europe. In addition, a numerical solution of the Richards equation was used as a benchmark for SWC comparison. Results show that the VSHC method substantially improves the accuracy of the SWC simulation in long‐term simulations, particularly during wet periods. At the watershed scale, results on the Riesel Y2 watershed indicate that the VSHC method enhances model performance in the high‐flow regime of channel peak flows because of the improved estimation of SWC, which implies that the improved SWC simulation at the field scale is beneficial to hydrologic modeling at the watershed scale.

Doro, Luca↗
NASA NTRSDate not supplied

Four Problematic Methods in Reliability Analysis

Some basic methods used in reliability analysis are problematic because they produce incorrect and overoptimistic predictions. Initially gratifying forecasts are often invalidated by testing and operational experience. The problematic methods in reliability analysis include estimating the system failure rate as the sum of component failure rates, assuming that reliability growth continues indefinitely during testing, overestimating the benefits of redundancy, and using the fault tolerance count instead of a detailed reliability analysis. Reliability analysis can produce more optimism than accuracy. This bug may now be a feature. The optimistic bias inevitable in project planning should be corrected by realistic reliability analysis that reflects relevant experience. That the repeated poor performance of reliability analysis is found to be surprising suggests willful blindness. Rigorous methods and impartial critical review are necessary to improve reliability analysis.

Reliability analysis↗
NASA NTRSDate not supplied

Four Problematic Methods in Reliability Analysis

Some basic methods used in reliability analysis are problematic because they produce incorrect and overoptimistic predictions. Initially gratifying forecasts are often invalidated by testing and operational experience. The problematic methods in reliability analysis include estimating the system failure rate as the sum of component failure rates, assuming that reliability growth continues indefinitely during testing, overestimating the benefits of redundancy, and using the fault tolerance count instead of a detailed reliability analysis. Reliability analysis can produce more optimism than accuracy. This bug may now be a feature. The optimistic bias inevitable in project planning should be corrected by realistic reliability analysis that reflects relevant experience. That the repeated poor performance of reliability analysis is found to be surprising suggests willful blindness. Rigorous methods and impartial critical review are necessary to improve reliability analysis.

Reliability analysis↗
DOE OSTI2018

Rates of Ligand Exchange around the Bis-Oxalato Complex [NpO 2 (C 2 O 4 ) 2 ] 3- Measured by Using Multinuclear NMR Spectroscopy under Neutral to Semi-Alkaline Conditions [Rates of ligand exchange around the bis-oxalato complex NpO2(C2O4)23- measured using multinuclear NMR at neutral to semi-alkaline conditions]

The kinetics of ligand exchange between the free oxalate ion, C 2 O 4 2- , and the bis-oxalato Np V complex, [NpO 2 (C 2 O 4 ) 2 ] 3- , in aqueous solution are reported by using 13 C and 17 O NMR spectroscopy methods. Rates of exchange were measured in the pH regime of 6.5–9.0, at which speciation is shown to be suitably simple. Because the neptunium(V) complex is paramagnetic, the rates of ligand exchange were estimated by following the width of the 13 C and 17 O signals assigned to the free oxalate ion in solution and by applying the Swift–Connick method for measuring rates of exchange. A set of experiments were conducted in which pH and total oxalate concentration were varied, and the linear dependence of the rate on these parameters was demonstrated. Variable-temperature NMR spectroscopy was also performed to measure activation parameters of complexation. Finally, at pH<8.0, ΔH ≠ =16.9 ±4.9 kJ mol -1 and ΔS≠=-116.3 ±17.1kJ mol -1 K -1 , whereas at pH>8.0 there is almost no dependence on temperature, which is interpreted to indicate that hydrolysis is coupled to ligand exchange under these conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

A data-centric weak supervised learning for highway traffic incident detection

Using the data from loop detector sensors for near-real-time detection of traffic incidents on highways is crucial to averting major traffic congestion. While recent supervised machine learning methods offer solutions to incident detection by leveraging human-labeled incident data, the false alarm rate is often too high to be used in practice. Specifically, the inconsistency in the human labeling of the incidents significantly affects the performance of supervised learning models. To that end, we focus on a data-centric approach to improve the accuracy and reduce the false alarm rate of traffic incident detection on highways. We develop a weak supervised learning workflow to generate high-quality training labels for the incident data without the ground truth labels, and we use those generated labels in the supervised learning setup for final detection. This approach comprises three stages. First, we introduce a data preprocessing and curation pipeline that processes traffic sensor data to generate high-quality training data through leveraging labeling functions, which can be domain knowledge-related or simple heuristic rules. Second, we evaluate the training data generated by weak supervision using three supervised learning models-random forest, k-nearest neighbors, and a support vector machine ensemble-and long short-term memory classifiers. The results show that the accuracy of all of the models improves significantly after using the training data generated by weak supervision. Third, we develop an online real-time incident detection approach that leverages the model ensemble and the uncertainty quantification while detecting incidents. Finally, we show that our proposed weak supervised learning workflow achieves a high incident detection rate (0.90) and low false alarm rate (0.08).

97 MATHEMATICS AND COMPUTING↗