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

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At least 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Sensitivity of the diagnostic radiological index of protection to procedural factors in fluoroscopy

Purpose: To evaluate the sensitivity of the diagnostic radiological index of protection (DRIP), used to quantify the protective value of radioprotective garments, to procedural factors in fluoroscopy in an effort to determine an appropriate set of scatter-mimicking primary beams to be used in measuring the DRIP. Methods: Monte Carlo simulations were performed to determine the shape of the scattered x-ray spectra incident on the operator in different clinical fluoroscopy scenarios, including interventional radiology and interventional cardiology (IC). Two clinical simulations studied the sensitivity of the scattered spectrum to gantry angle and patient size, while technical factors were varied according to measured automatic dose rate control (ADRC) data. Factorial simulations studied the sensitivity of the scattered spectrum to gantry angle, field of view, patient size, and beam quality for constant technical factors. Average energy (E{sub avg}) was the figure of merit used to condense fluence in each energy bin to a single numerical index. Results: Beam quality had the strongest influence on the scattered spectrum in fluoroscopy. Many procedural factors affect the scattered spectrum indirectly through their effect on primary beam quality through ADRC, e.g., gantry angle and patient size. Lateral C-arm rotation, common in IC, increased the energy of the scattered spectrum, regardless of the direction of rotation. The effect of patient size on scattered radiation depended on ADRC characteristics, patient size, and procedure type. Conclusions: The scattered spectrum striking the operator in fluoroscopy is most strongly influenced by primary beam quality, particularly kV. Use cases for protective garments should be classified by typical procedural primary beam qualities, which are governed by the ADRC according to the impacts of patient size, anatomical location, and gantry angle.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Binary interaction parameters from reacting mixture data. Supercritical biodiesel process with CO 2 as cosolvent

A method is presented for the calculation of binary interaction parameters from reacting mixture data. The process studied is the supercritical methanol transesterification of triolein with CO 2 as cosolvent. The reaction proceeds through 3 reversible reactions in series, on a solid catalyst (Nafion(R) SAC-13), for which the kinetics is known. To describe the reactor performance, the kinetic constants and the binary interaction parameters for the Peng-Robinson equation of state, are necessary, and were included in the reactor model. Previously published view-cell observations and thermodynamic calculations indicate that no condensation occurs in the reactor. Kinetic and thermodynamic parameters were determined by a global optimisation procedure. From the rate constants obtained, the process exhibits some reversibility, despite the excess of methanol used. Our methodology allows to obtain the binary interaction coefficients for the intermediate reaction species (dioleins and monooleins) that were unavailable so far. The method is sensitive to the errors in the measured concentrations.

09 BIOMASS FUELS↗
DOE OSTI2015

SU-E-I-24: Method for CT Automatic Exposure Control Verification

Purpose: Design of a phantom and a simple method for the automatic exposure control (AEC) verification in CT. This verification is included in the computed tomography (CT) Spanish Quality Assurance Protocol. Methods: The phantom design is made from the head and the body phantom used for the CTDI measurement and PMMA plates (35×35 cm2) of 10 cm thickness. Thereby, three different thicknesses along the longitudinal axis are obtained which permit to evaluate the longitudinal AEC performance. Otherwise, the existent asymmetry in the PMMA layers helps to assess angular and 3D AEC operation.Recent acquisition in our hospital (August 2014) of Nomex electrometer (PTW), together with the 10 cm pencil ionization chamber, led to register dose rate as a function of time. Measurements with this chamber fixed at 0° and 90° on the gantry where made on five multidetector-CTs from principal manufacturers. Results: Individual analysis of measurements shows dose rate variation as a function of phantom thickness. The comparative analysis shows that dose rate is kept constant in the head and neck phantom while the PMMA phantom exhibits an abrupt variation between both results, being greater results at 90° as the thickness of the phantom is 3.5 times larger than in the perpendicular direction. Conclusion: Proposed method is simple, quick and reproducible. Results obtained let a qualitative evaluation of the AEC and they are consistent with the expected behavior. A line of future development is to quantitatively study the intensity modulation and parameters of image quality, and a possible comparative study between different manufacturers.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2018

Voltron Compatible Whole Building Root-Fault Detection and Diagnosis

Buildings consume more than 40% of primary energy in the U.S. Malfunctioning sensors, components, and control systems, as well as degrading components in Heating, Ventilating and Air-conditioning (HVAC) and lighting systems are main reasons for energy waste and unsatisfactory indoor environment. Field studies have shown that an energy saving of 5-30% of total building energy consumption and improved indoor air quality can be achieved by simply applying automated fault detection and diagnosis (AFDD), followed by corrections even if these are not done in real time. Extensive research has been made on the development of component level AFDD tools in the past two decades. However, in recent years, the development of method for a whole building level AFDD has received much attention. Here, a whole building fault refers to a fault happening in one subsystem but impact on more than one subsystems, or has a significant impact on building performances, such as building’s energy consumption. Existing component level AFDD tools could fail to detect or give false alarm for faults that trigger abnormalities in multiple subsystems. Isolating such whole building faults, which have impacts on multiple subsystems, is also challenging by simply using component based AFDD solutions. On the other hand, it might be more cost-effective for medium- or small-sized commercial buildings that have subsystems (e.g. primary cooling subsystem, air loop subsystem, heating subsystem, lighting subsystem, etc.) to install one whole building level AFDD tool, rather than many component level AFDD tools, to focus on significant faults. The focus of this project is firstly to provide training opportunities in building AFDD research area for undergraduate students and to develop a workforce pipeline in building sciences. The objective of the proposed research activities is to develop cost-effective and scalable AFDD solutions for whole building level faults. The developed AFDD solution is VOLTTRONTM compatible to further increase its plug-n-play capacity and the market penetration. VOLTTRONTM is an open-source innovative distributed control and sensing software platform developed by the Pacific Northwest National Laboratory. A VOLTTRONTM compatible AFDD tool brings the benefits such as low-cost deployment, and better building to grid integration, etc. The performance of the developed whole building AFDD tools is evaluated using data collected from a mixed-use medium-sized university campus building. Another significant goal of this project is to engage undergraduate students in research activities and expose them to building control and AFDD fields. A demonstration building – Nesbitt Hall at Drexel University is identified for this study. This demonstration building has a typical HVAC system configuration, which includes a water-cooled chiller system, three variable air volume (VAV) air handling unit (AHU) systems, and a hydronic heating system. Faults, that are expected to have a whole building level impact, are artificially implemented in this demonstration building for three different seasons. Building data have been collected in this project, which include fault free building automation system (BAS) data and BAS data that contain system behaviors caused by artificially implemented and naturally occurred faults. These collected data are used to evaluate the developed whole building AFDD tools. A data-driven method, which includes a weather and schedule-based pattern matching (WPM) method and Feature based Principal Component Analysis (FPCA) method, is developed for whole building level fault detection. Parameter sensitivity tests, including snapshot window size, data sample searching pool size, etc., are implemented to evaluate the impacts of various WPM-FPCA parameters. A data-driven and expert knowledge/rule-based method using Bayesian Network (BN) and WPM is developed for whole building level fault diagnosis. The developed WPM-BN method, which includes a two-layer BN structure model and BN parameters, are either learned from baseline data or developed from expert knowledge. The developed whole building AFDD tools are evaluated using BAS data collected from the demonstration building. Using the evaluation data set, the WPM-FPCA fault detection method is evaluated under two different Principle Component (PC) retention rates, i.e., 0.65 retention rate and 0.95 retention rate. It is observed that when using 0.65 PC retention rate, the WPM-FPCA fault detection method achieves a 79% fault detection rate (this rate reaches to 85% when including the six make-up fault test cases discussed in the next bullet), while when using 0.95 PC retention rate, the WPM-FPCA fault detection method achieves 100% fault detection rate (this rate remains to be 100% when including the six make-up fault test cases). Under both PC retention rates, the WPM-FPCA fault detection method demonstrates 0% false alarm rates. Using the evaluation data set, the developed WPM-BN fault diagnosis method has successfully diagnosed thirteen (13) faults out of the fourteen (14) fault test cases. The one mis-diagnosed case exhibits fewer fault symptoms in different subsystems, when compared with other fault test cases. Overall speaking, the developed whole building AFDD solutions demonstrate satisfactory fault detection/diagnosis accuracy with very low false alarm rate. Lastly, a survey and market study has been performed to understand the existing AFDD market, including its gaps and needs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

High fidelity simulation and analysis of liquid jet atomization in a gaseous crossflow at intermediate Weber numbers

Recent advances in numerical methods coupled with the substantial enhancements in computing power and the advent of high performance computing have presented first principle, high fidelity simulation as a viable tool in the prediction and analysis of spray atomization processes. The credibility and potential impact of such simulations, however, has been hampered by the relative absence of detailed validation against experimental evidence. The numerical stability and accuracy challenges arising from the need to simulate the high liquid-gas density ratio across the sharp interfaces encountered in these flows are key reasons for this. In this work we challenge this status quo by presenting a numerical model able to deal with these challenges, employing it in simulations of liquid jet in crossflow atomization and performing extensive validation of its results against a carefully executed experiment with detailed measurements in the atomization region. We then proceed to the detailed analysis of the flow physics. The computational model employs the coupled level set and volume of fluid approach to directly capture the spatiotemporal evolution of the liquid-gas interface and the sharp-interface ghost fluid method to stably handle high liquid-air density ratio. Adaptive mesh refinement and Lagrangian droplet models are shown to be viable options for computational cost reduction. Moreover, high performance computing is leveraged to manage the computational cost. The experiment selected for validation eliminates the impact of inlet liquid and gas turbulence and focuses on the impact of the crossflow aerodynamic forces on the atomization physics. Validation is demonstrated by comparing column surface wavelengths, deformation, breakup locations, column trajectories and droplet sizes, velocities, and mass rates for a range of intermediate Weber numbers. Analysis of the physics is performed in terms of the instability and breakup characteristics and the features of downstream flow recirculation, and vortex shedding. Formation of “Λ” shape windward column waves is observed and explained by the combined upward and lateral surface motion. The existence of Rayleigh-Taylor instability as the primary mechanism for the windward column waves is verified for this case by comparing wavelengths from the simulations to those predicted by linear stability analyses. Physical arguments are employed to postulate that the type of instability manifested may be related to conditions such as the gas Weber number and the inlet turbulence level. The decreased column wavelength with increasing Weber number is found to cause enhanced surface stripping and early depletion of liquid core at higher Weber number. A peculiar “three-streak-two-membrane” liquid structure is identified at the lowest Weber number and explained as the consequence of the symmetric recirculation zones behind the jet column. It is found that the vortical flow downstream of the liquid column resembles a von Karman vortex street and that the coupling between the gas flow and droplet transport is weak for the conditions explored.

42 ENGINEERING↗
DOE OSTI2015

Electrochemical characterization for lithium vanadium phosphate with different calcination temperatures prepared by the sol–gel method

Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C (LVP/C) composite materials were synthesized via a sol–gel method with oxalic acid as the chelating agent and polyethylene glycol (PEG) as the supplementary carbon source. The oxalic acid and PEG serve as double carbon sources. This study focused on the effect of different calcination temperatures on the electrochemical properties of Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}. The diffraction peaks for all of the samples are well indexed to monoclinic Li{sub 3}V{sub 2}(PO{sub 4}){sub 3} with a P2{sub 1}/n space group. The TGA data indicate that the residual carbon content of LVP/C-700 is the highest (i.e., 2.31 wt.%), and as the calcination temperature increased, the residual carbon content of the material gradually decreased. SEM and TEM analyses indicated that the LVP particles that were calcined at 700 °C exhibit a uniform particle size distribution and the carbon coating exhibited a complete and orderly moderate thickness. The LVP/C-700 material exhibits the best electrochemical performance in the voltage range of 3.0 to 4.3 V and 0.1 C where the initial discharge capacity can reach 128.98 mAh g{sup −} {sup 1}. Even after 200 cycles, the discharge capacity was 119.31 mAh g{sup −} {sup 1}, and the capacity retention rate was 92.49%. - Highlights: • Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C composite materials have been synthesized via a sol–gel method with double carbon sources. • The different calcination temperatures affect the grain growth and crystallinity of the Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C materials. • The LVP/C-700 material exhibites the largest lithium ion diffusivity and electronic conductivity.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Measuring Gas Transport and Sorption in Large Intact Geologic Specimens via the Piezometric Method

Uptake of noble gases into heterogeneous geologic core samples was measured using a piezometric methodology. In addition to measuring accessible porosity—as with gas pycnometry—by monitoring the rate of pressure decay, this method can also be used to estimate the gas effective diffusivity in the sample. In contrast to previous applications of this method, where milligram quantities of fractured grains are characterized, here approximately kilogram core samples were left intact when tested. In doing so, a more representative sample of the heterogeneous field geology is provided. Additionally, alteration of the pore structure and connectivity during sample preparation is avoided. Furthermore, to scale the piezometric method from milligrams to kilograms, the system was designed to operate at medium vacuum (1 to 100 Pa) to restrict transport in pores less than approximately 60 µm to large Knudsen numbers. To test the system performance, two samples of interest were selected: a rhyolitic welded tuff from Blue Canyon Dome at the Energetic Materials Research and Testing Center and a zeolitized non-welded rhyolitic tuff from the Nevada National Security Site. Three noble gases were utilized in this test series; Argon and xenon as they are of direct interest to nuclear monitoring efforts and helium as it is a weakly adsorbing reference standard. Additionally, mercury intrusion porosimetry measurements were made on subsamples of the core to compare the observed porosity by the two methods and to discuss gas transport rates in the context of the measured pore distribution.

58 GEOSCIENCES↗
DOE OSTI2026

An immersed interface method for microstructure-scale electrochemical battery models: numerical formulation and performance portable implementation

We present the numerical formulation, verification, and performance portable implementation of an immersed interface method for microstructure scale electrochemical modeling of batteries. The innovation in this approach is the resolution of chemical species and electrostatic potential discontinuities at active interfaces without the use of interface conforming unstructured grids. A unified formulation on Cartesian grids for all domains (electrodes and electrolyte) is used with interfacial flux conditions applied using volume fraction or “color” function gradients. We have developed one dimensional and two dimensional test cases with analytic solutions for electrochemical modeling using which we verified the consistency and accuracy of our scheme. Our solver is also validated against solutions from a macroscale model and an unstructured multi-subdomain solver for a full lithium ion cell. We then demonstrated the utility of our solver on an image-based complex battery electrode microstructure at high charging rate. Our technique also exhibits good scalability on distributed memory architectures using central processing units (CPU), with problem sizes up to 1.8 billion degrees of freedom and with 5400 ranks. Initial performance studies of our open-source performance portable solver showed about 70 times speed up using a graphics processing unit (GPU) compared to single compute core for a problem with 4 million cells.

25 ENERGY STORAGE↗
DOE OSTI2026

Seed-Mediated Colloidal Synthesis of Multimetallic and High-Entropy Alloy Nanocrystal Libraries with Enhanced Catalytic Performance

Engineering colloidally stable multimetallic nanocrystals offers many benefits in a wide range of applications and allows manipulation of physical, chemical, and electronic properties of materials at the nanoscale. Synthesis routes are challenged by the chemical complexity required to temporally and spatially coordinate the reduction and alloying of multiple metal species, which has hampered the development of tunable libraries of colloidal materials to date. Here, in this work, we demonstrate a seed-mediated synthesis method to incorporate five or more metal elements into uniform, colloidally stable nanocrystals. By integrating machine learning-accelerated simulations, the synthesis of shortlisted high-entropy alloy nanocrystals was demonstrated. Multiple seed materials can be used, leading to a library of multimetallic nanocrystals with tunable electronic, physical, and alloy structures. The advantage of this synthetic protocol is highlighted in the preparation of catalytic materials that showed 2 orders of magnitude higher reaction rates than monometallic catalysts and outstanding thermal stability, thus highlighting the promise of this approach for high-performance materials in many areas.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

WE-G-BRA-09: Microsphere Brachytherapy Failure Mode and Effects Analysis in a Dual-Vendor Environment

Purpose: To improve the safety and quality of a dual-vendor microsphere brachytherapy program with failure mode and effects analysis (FMEA). Methods: A multidisciplinary team including physicists, dosimetrists, a radiation oncologist, an interventional radiologist, and radiation safety personnel performed an FMEA for our dual-vendor microsphere brachytherapy program employing SIR-Spheres (Sirtex Medical Limited, Australia) and Theraspheres (BTG, England). We developed a program process tree and step-by-step instructions which were used to generate a comprehensive list of failure modes. These modes were then ranked according to severity, occurrence rate, and detectability. Risk priority numbers (RPNs) were calculated by multiplying these three scores together. Three different severity scales were created: one each for harmful effects to the patient, staff, or the institution. Each failure mode was ranked on one or more of these scales. Results: The group identified 164 failure modes for the microsphere program. 113 of these were ranked using the patient severity scale, 52 using the staff severity scale, and 50 using the institution severity scale. The highest ranked items on the patient severity scale were an error in the automated dosimetry worksheet (RPN = 297.5), and the incorrect target specified on the planning study (RPN = 135). Some failure modes ranked differently between vendors, especially those corresponding to dose vial preparation because of the different methods used. Based on our findings, we made several improvements to our QA program, including documentation to easily identify which product is being used, an additional hand calculation during planning, and reorganization of QA steps before treatment delivery. We will continue to periodically review and revise the FMEA. Conclusion: We have applied FMEA to our dual-vendor microsphere brachytherapy program to identify potential key weaknesses in the treatment chain. Our FMEA results were used to improve the effectiveness of our overall microsphere program.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

The Transference Number

The performance of rechargeable batteries and other electrochemical systems depends on the rate at which the working ion (often a cation) is transported from one electrode to the other. The cation transference number is an important transport parameter that affects this rate. The purpose of this perspective is to distinguish between approximate and rigorous methods used in the literature to measure the transference number. We emphasize the fact that this parameter is dependent on the reference frame used in the analysis; care must be taken when comparing values obtained from different sources to account for differences in reference frames. We present data obtained from a well‐characterized electrolyte. We compare rigorously determined transference numbers in two reference frames with values obtained by an approximate method. We conclude with a qualitative discussion of the relationship between the transference number and salt concentration gradients that are obtained when current is drawn through a battery.

Gao, Kevin W.↗
DOE OSTI2019

Feasibility of using computed tomography texture analysis parameters as imaging biomarkers for predicting risk grade of gastrointestinal stromal tumors: comparison with visual inspection

Purpose: To evaluate the feasibility of using computed tomography texture analysis (CTTA) parameters for predicting malignant risk grade and mitosis index of gastrointestinal stromal tumors (GISTs), compared with visual inspection. Method and materials: CTTA was performed on portal phase CT images of 145 surgically confirmed GISTs (mean size: 42.9 ± 37.5 mm), using TexRAD software. Mean, standard deviation, entropy, mean of positive pixels (MPP), skewness, and kurtosis of CTTA parameters, on spatial scaling factor (SSF), 2–6 were compared by risk grade, mitosis rate, and the presence or absence of necrosis on visual inspection. CTTA parameters were correlated with risk grade. Diagnostic performance was evaluated with receiver operating characteristic curve analysis. Enhancement pattern, necrosis, heterogeneity, calcification, growth pattern, and mucosal ulceration were subjectively evaluated by two observers. Results: Three to four parameters at different scales were significantly different according to the risk grade, mitosis rate, and the presence or absence of necrosis (p < 0.041). MPP at fine or medium scale (r = − 0.547 to − 393) and kurtosis at coarse scale (r = 0.424–0.454) correlated significantly with risk grade (p < 0.001). HG-GIST was best differentiated from LG-GIST by MPP at SSF 2 (AUC, 0.782), and kurtosis at SSF 4 (AUC, 0.779) (all p < 0.001). CT features predictive of HG-GIST were density lower than or equal to that of the erector spinae muscles on enhanced images (OR 2.1; p = 0.037; AUC, 0.59), necrosis (OR, 6.1; p < 0.001; AUC, 0.70), heterogeneity (OR, 4.3; p < 0.001; AUC, 0.67), and mucosal ulceration (OR, 3.3; p = 0.002; AUC, 0.62). Conclusion: Using TexRAD, MPP and kurtosis are feasible in predicting risk grade and mitosis index of GISTs. CTTA demonstrated meaningful accuracy in preoperative risk stratification of GISTs.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Transcatheter arterial infusion for pancreatic cancer: a 10-year National Cancer Center experience in 115 patients and literature review

Purpose: To evaluate the efficacy and safety of transcatheter arterial infusion (TAI) for the treatment of pancreatic cancer in patients ineligible for or refractory to systemic chemotherapy. Materials and methods: The medical records of 115 consecutive patients (mean age, 58.9 years; 71 males) with documented pancreatic cancer ineligible for or refractory to systemic chemotherapy and underwent TAI between February 2007 and January 2017 were reviewed. Results: A total of 224 TAI sessions [mean, 1.9 (range 1–8)] were performed. Technical success rate was 100%. Disease control (i.e., complete response, partial response, and stable disease) was achieved in 72 (62.6%) patients. The median progression-free survival and median overall survival were 56 days and 147 days, respectively. Subgroup analysis revealed that disease control, progression-free survival, and overall survival were significantly improved in patients with an Eastern Cooperative Oncology Group score of ≤ 1 compared with those in patients with an Eastern Cooperative Oncology Group score of 2 (all p < 0.001) and in patients who received > 1 sessions of TAI compared with that in patients who received only 1 session of TAI (p = 0.012, < 0.001, and = 0.002, respectively). A major complication in the form of cerebral infarction occurred in 1 (0.9%) patient 1 day after the procedure. This patient was treated with conservative therapy and recovered without permanent adverse sequelae. No other major complications were observed. Conclusions: TAI may be effective and safe for the treatment of pancreatic cancer.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

A fully-implicit high-order system thermal-hydraulics model for advanced non-LWR safety analyses

An advanced system analysis tool is being developed for advanced reactor safety analysis. This paper describes the underlying physics and numerical models used in the code, including the governing equations, the stabilization schemes, the high-order spatial and temporal discretization schemes, and the Jacobian Free Newton Krylov solution method. The effects of the spatial and temporal discretization schemes are investigated. Additionally, a series of verification test problems are presented to confirm the high-order schemes. Furthermore, it is demonstrated that the developed system thermal-hydraulics model can be strictly verified with the theoretical convergence rates, and that it performs very well for a wide range of flow problems with high accuracy, efficiency, and minimal numerical diffusions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

Delayed gamma-ray spectroscopy with lanthanum bromide detector for non-destructive assay of nuclear material

High-energy delayed γ-ray spectroscopy is a potential technique for directly assaying spent fuel assemblies and achieving the safeguards goal of quantifying nuclear material inventories for spent fuel handling, interim storage, reprocessing facilities, repository sites, and final disposal. Requirements for the γ-ray detection system, up to ~6 MeV, can be summarized as follows: high efficiency at high γ-ray energies, high energy resolution, good linearity between γ-ray energy and output signal amplitude, ability to operate at very high count rates, and ease of use in industrial environments such as nuclear facilities. High Purity Germanium Detectors (HPGe) are the state of the art and provide excellent energy resolution but are limited in their count rate capability. Lanthanum Bromide (LaBr 3 ) scintillation detectors offer significantly higher count rate capabilities at lower energy resolution. Thus, LaBr 3 detectors may be an effective alternative for nuclear spent-fuel applications, where count-rate capability is a requirement. This paper documents the measured performance of a 2” (length) × 2” (diameter) of LaBr3 scintillation detector system, coupled to a negatively biased PMT and a tapered active high voltage divider, with count-rates up to ~3 Mcps. An experimental methodology was developed that uses the average current from the PMT’s anode and a dual source method to characterize the detector system at specific very high count rate values. Delayed γ-ray spectra were acquired with the LaBr 3 detector system at the Idaho Accelerator Center, Idaho State University, where samples of ~3g of 235 U were irradiated with moderated neutrons from a photo-neutron source. Results of the spectroscopy characterization and analysis of the delayed γ-ray spectra acquired indicate the possible use of LaBr3 scintillation detectors when high count rate capability may outweigh the lower energy resolution.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Modified Energy Span Analysis of Catalytic Parallel Pathways and Selectivity

Mechanistic modeling provides vital insights into catalytic reactions. To analyze complex reaction networks with parallel pathways, we leverage the graph theory approach of the Energy Span Model (ESM) to develop a modified energy span analysis (MESA). A new method of cycle plots is proposed to perform reaction pathways analysis visually. We demonstrate this method on two published models: one describing carbon monoxide oxidation and the other simulating ethylene conversion to propanal via hydroformylation or ethane via hydrogenation. Fundamental insights explain kinetic observables, such as a reactant’s negative reaction order. General principles are revealed, such as rate-determining surface species being outside the primary reaction flux cycle and pathway selectivity being a purely kinetic property when reaction conditions are not near equilibrium. Lastly, we demonstrate MESA’s consistency with published microkinetic modeling results, highlighting this technique’s extension of the ESM to heterogeneous catalysts using collision theory to describe adsorption steps and concentration effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Atomic Layer Deposition of Cu Electrocatalysts on Gas Diffusion Electrodes for CO 2 Reduction

Electrochemical reduction of CO 2 using Cu catalysts enables the synthesis of C 2+ products including C 2 H 4 and C 2 H 5 OH. Here, in this study, Cu catalysts were fabricated using plasma-enhanced atomic layer deposition (PEALD), achieving conformal deposition of catalysts throughout 3-D gas diffusion electrode (GDE) substrates while maintaining tunable control of Cu nanoparticle size and areal loading. The electrochemical CO 2 reduction at the Cu surface yielded a total Faradaic efficiency (FE) > 75% for C 2+ products. Parasitic hydrogen evolution was minimized to a FE of ~10%, and a selectivity of 42.2% FE for C 2 H 4 was demonstrated. Compared to a line-of-sight physical vapor deposition method, PEALD Cu catalysts show significant suppression of C 1 products compared to C 2+ , which is associated with improved control of catalyst morphology and conformality within the porous GDE substrate. Finally, PEALD Cu catalysts demonstrated a stable performance for 15 h with minimal reduction in the C 2 H 4 production rate.

42 ENGINEERING↗
DOE OSTI2020

Data-driven Cyberattack Detection for Photovoltaic (PV) Systems through Analyzing Micro-PMU Data

With increasing exposure to software-based sensing and control, Photovoltaic (PV) systems are facing higher risks of cyber attacks. Here, to ensure the system stability and minimize potential economic losses, it is imperative to monitor operating states and detect attacks at the early stage. To meet this demand, Micro-Phasor Measurement Units (μPMU) are increasingly popular in monitoring distribution networks. However, due to the relatively low sampling rate, μPMU has not yet been used to detect and classify cyber-attacks in power electronics enabled smart grid. To our knowledge, this is one of the first attempts to use μPMU to detect cyber attacks that degrade the performance of power electronics systems. We propose to apply data-driven methods on micro-PMU data to implement attack detection. We have evaluated data-driven methods, including decision tree (DT), K-nearest neighbor (KNN), support vector machine (SVM), artificial neural network (ANN), long short-term memory (LSTM) and convolutional neural network (CNN). The proposed CNN model achieves the required performances with the highest 99.23% accuracy and 0.9963 F 1 score.

14 SOLAR ENERGY↗