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At least 577 records · Page 32

Online Energy-optimal Routing for Electric Vehicles with Combinatorial Multi-arm Semi-Bandit

We have seen a rapid growth in the adoption of electric vehicle in today’s commercial mobility service market, from carrying passengers to the delivery of goods. One cardinal issue concerning the operation of EVs is the optimal routing of EV fleets with limited battery capacity. In this study, we investigate the energy-optimal online routing problem for the fleet of EVs, which focuses on identifying real-time minimum electricity consumption paths (MECP) for multiple OD pairs with limited information. We develop a multi-OD combinatorial multi-arm semi-bandit model (MCMAB) that uses the fleet of EVs as sensors in the transportation network and promotes the utilization of common information shared by different OD pairs. We further enrich the model with the path elimination policy to obtain MECP of high confidence while significantly reducing the number of learning iterations and the number of explorations needed. We demonstrate the effectiveness of the MCMAB and the efficiency of the path elimination policy with comprehensive numerical experiments in Manhattan, NYC. The results show that the proposed online routing algorithms can achieve near-optimal MECPs efficiently, and the quality of the solutions is significantly better than using the shortest travel time paths as approximate MECPs.

Chen, Xiaowei↗

Evaluation of a coastal acoustic buoy for cetacean detections, bearing accuracy and exclusion zone monitoring

Abstract There is strong socio‐political support for offshore wind development in US territorial waters and construction is planned off several east coast states. Some of the planned development sites coincide with important habitat for critically endangered North Atlantic right whales. Both exclusion zones and passive acoustic monitoring are important tools for managing interactions between marine mammals and human activities. Understanding where animals are with respect to exclusion zones is important to avoid costly construction delays while minimizing the potential for negative impacts. Impact piling from construction of hundreds of offshore wind turbines likely require exclusion zones as large as 10 km. We have developed a three‐hydrophone passive acoustic monitoring system that provides bearing information along with marine mammal detections to allow for informed management decisions in real‐time. Multiple units form a monitoring system designed to determine whether marine mammal calls originate from inside or outside of an exclusion zone. In October 2021, we undertook a full system validation, with a focus on evaluating the detection range and bearing accuracy of the system with respect to right whale upcalls. Five units were deployed in Mid‐Atlantic waters and we played more than 3500 simulated right whale upcalls at known locations to characterize the detection function and bearing accuracy of each unit. The modelled results of the detection function error were then used to compare the effectiveness of a bearing‐based system to a single sensor that can only detect a signal but not ascertain directivity. Field trials indicated maximum detection ranges from 4–7.3 km depending on source and ambient noise levels. Simulations showed that incorporating bearing detections provide a substantial improvement in false alarm rates (6 to 12 times depending on number of units, placement and signal to noise conditions) for a small increase in the risk of missed detections inside of an exclusion zone (1%–3%). We show that the system can be used for monitoring exclusion zones and clearly highlight the value of including bearing estimation into exclusion zone monitoring plans while noting that placement and configuration of units should reflect anticipated ambient noise conditions.

17 WIND ENERGY↗

An automated multiplexed turbidometric and data collection system for measuring growth kinetics of anaerobes dependent on gaseous substrates

Standard methods of monitoring the growth kinetics of anaerobic microorganisms are generally impractical when there is a protracted or indeterminate period of active growth, and when high numbers of samples or replications are required. As part of our studies of the adaptive evolution of a simple anaerobic syntrophic mutualism, requiring the characterization of many isolates and alternative syntrophic pairings, here we developed a multiplexed growth monitoring system using a combination of commercially available electronics and custom designed circuitry and materials. This system automatically monitors up to 64 sealed, and as needed pressurized, culture tubes and reports the growth data in real-time through integration with a customized relational database. The utility of this system was demonstrated by resolving minor differences in growth kinetics associated with the adaptive evolution of a simple microbial community comprised of a sulfate reducing bacterium, Desulfovibrio vulgaris, grown in syntrophic association with Methanococcus maripaludis, a hydrogenotrophic methanogen.

59 BASIC BIOLOGICAL SCIENCES↗

$\mathrm{SIM}$-$\mathrm{STEM}$ $\mathrm{Lab}$: Incorporating Compressed Sensing Theory for Fast STEM Simulation

We report recently it has been shown that precise dose control and an increase in the overall acquisition speed of atomic resolution scanning transmission electron microscope (STEM) images can be achieved by acquiring only a small fraction of the pixels in the image experimentally and then reconstructing the full image using an inpainting algorithm. In this paper, we apply the same inpainting approach (a form of compressed sensing) to simulated, sub-sampled atomic resolution STEM images. We find that it is possible to significantly sub-sample the area that is simulated, the number of g-vectors contributing the image, and the number of frozen phonon configurations contributing to the final image while still producing an acceptable fit to a fully sampled simulation. Here we discuss the parameters that we use and how the resulting simulations can be quantifiably compared to the full simulations. As with any Compressed Sensing methodology, care must be taken to ensure that isolated events are not excluded from the process, but the observed increase in simulation speed provides significant opportunities for real time simulations, image classification and analytics to be performed as a supplement to experiments on a microscope to be developed in the future

47 OTHER INSTRUMENTATION↗

The pH-dependent orientation of N3 dye on a gold substrate is revealed using heterodyne-detected vibrational sum frequency generation spectroscopy

We report on systematic changes to the adsorption geometry of the dye N3 {[cis-bis(isothiocyanato)bis(2,2' -bipyridyl-4,4' -dicarboxylato ruthenium(II)]} on a gold substrate as the pH of the deposition environment is altered. The protonation states of the four --COOH groups of the N3 dye change according to the modified pH conditions, thus affecting the number of --COOH and --NCS functional groups that participate in the adsorption to gold. Here, we use heterodyne detected vibrational sum frequency generation (HD-VSFG) spectroscopy to obtain surface specific vibrational information on both --COOH and --NCS groups as a function of pH of the deposition conditions. Polarization-dependent HD-VSFG yields sets of complex χ (2) spectra, enabling us to perform a simultaneous fitting procedure to the polarization-dependent real and imaginary components and thus extract detailed structural information of the N3/gold interface. Overall, our results show that N3 preferentially adsorbs to gold either with two --COOH groups and one --NCS group in more acidic conditions or with one --COOH group and two --NCS groups in more basic conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluation of Containment and Geomechanical Risks at Integrated Mid-Content Stacked Carbon Storage Hub Sites

The U.S. Department of Energy is leading the development of CCS through collaborative projects and programs to not only develop and demonstrate the technology but to also quantify the risks and provide tools that site operators can use to develop a site-specific understanding of their risk to enable successful project operations. This report summarizes results and findings from the application of risk-assessment tools to an industrial-scale Geologic Carbon Storage (GCS) project. Specifically, we applied the National Risk Assessment Partnership’s (NRAP) Open Integrated Assessment Model (NRAP-Open-IAM) and State of Stress Assessment Tool (SOSAT) to two candidate sites being considered for storage by the Integrated Midcontinent Stacked Carbon Storage Hub (IMSCS-Hub) project team. These sites, Sleepy Hollow Field in Nebraska and Patterson Field in Kansas, have historical oil and gas production and thus are attractive candidates to store the 50 million metric tons (Mt), which is the CarbonSAFE objective. Because these sites have historical operations, they have a significant number of existing wells that pose a risk for well leakage. Additionally, the storage formations will undergo significant pore pressure perturbation (i.e., increase due to CO 2 injection). Hence, we have selected the two NRAP tools best suited to study the risks associated with well leakage and geomechanical risks. The objective of the study was not only to assess the risk at the site, but to also improve the NRAP tools through application using real site data on an ongoing project.

54 ENVIRONMENTAL SCIENCES↗

Automated Cloud Based Long Short-Term Memory Neural Network Based SWE Prediction

Snow derived water is a critical component of the US water supply. Measurements of the Snow Water Equivalent (SWE) and associated predictions of peak SWE and snowmelt onset are essential inputs for water management efforts. This paper aims to develop an integrated framework for real-time data ingestion, estimation, prediction and visualization of SWE based on daily snow datasets. In particular, we develop a data-driven approach for estimating and predicting SWE dynamics using the Long Short-Term Memory neural network (LSTM) method. Our approach uses historical datasets (precipitation, air temperature, SWE, and snow thickness) collected at NRCS Snow Telemetry (SNOTEL) stations to train the LSTM network and current year data to predict SWE behavior. The performance of our prediction was compared for different prediction dates and prediction training datasets. Our results suggest that the proposed LSTM network can be an efficient tool for forecasting the SWE timeseries, as well as Peak SWE and snowmelt timing. Results showed that the window size impacts the model performance (where the Nash Sutcliffe efficiency (NSE) ranged from 0.96 to 0.85 and the Rooted Mean Square Error (RMSE) ranged from 0.038 to 0.07) with an optimum number that should be calibrated for different stations and climate conditions. In addition, by implementing the LSTM prediction capability in a cloud based site-monitoring platform, we automate model-data integration. By making the data accessible through a graphical web interface and an underlying API which exposes both training and prediction capabilities. The associated results can be made easily accessible to a broad range of stakeholders.

54 ENVIRONMENTAL SCIENCES↗

DNN-based policies for stochastic AC OPF

We report a prominent challenge to the safe and optimal operation of the modern power grid arises due to growing uncertainties in loads and renewables. Stochastic optimal power flow (SOPF) formulations provide a mechanism to handle these uncertainties by computing dispatch decisions and control policies that maintain feasibility under uncertainty. Most SOPF formulations consider simple control policies such as affine policies that are mathematically simple and resemble many policies used in current practice. Motivated by the efficacy of machine learning (ML) algorithms and the potential benefits of general control policies for cost and constraint enforcement, we put forth a deep neural network (DNN)-based policy that predicts the generator dispatch decisions in real time in response to uncertainty. The weights of the DNN are learnt using stochastic primal–dual updates that solve the SOPF without the need for prior generation of training labels and can explicitly account for the feasibility constraints in the SOPF. The advantages of the DNN policy over simpler policies and their efficacy in enforcing safety limits and producing near optimal solutions are demonstrated in the context of a chance constrained formulation on a number of test cases.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Air, surface, and wastewater surveillance of SARS-CoV-2; a multimodal evaluation of COVID-19 detection in a built environment

Environmental surveillance of infectious organisms holds tremendous promise to reduce human-to-human transmission in indoor spaces through early detection. In this study we determined the applicability and limitations of wastewater, indoor high-touch surfaces, in-room air, and rooftop exhaust air sampling methods for detecting SARS-CoV-2 in a real world building occupied by residents recently diagnosed with COVID-19. We concurrently examined the results of three 24-hour environmental surveillance techniques, indoor surface sampling, exhaust air sampling and wastewater surveillance, to the known daily census fluctuations in a COVID-19 isolation dormitory. Additionally, we assessed the ability of aerosol samplers placed in the large volume lobby to detect SARS-CoV-2 multiple times per day. Our research reveals an increase in the number of individuals confirmed positive with COVID-19 as well as their estimated human viral load to be associated with statistically significant increases in viral loads detected in rooftop exhaust aerosol samples (p = 0.0413), wastewater samples (p = 0.0323,), and indoor high-touch surfaces (p < 0.001)). We also report that the viral load detected in lobby aerosol samples was statistically higher in samples collected during presence of occupants whose COVID-19 diagnostic tests were confirmed positive via qPCR compared to periods when the lobby was occupied by either contact-traced (suspected positive) individuals or during unoccupied periods (p = 0.0314 and <2e–16). We conclude that each daily (24h) surveillance method, rooftop exhaust air, indoor high-touch surfaces, and wastewater, provide useful detection signals for building owner/operator(s). Furthermore, we demonstrate that exhaust air sampling can provide spatially resolved signals based upon ventilation exhaust zones. Additionally, we find that indoor lobby air sampling can provide temporally resolved signals useful during short duration sampling periods (e.g., 2-4 hours) even with intermittent occupancy by occupants diagnosed with COVID-19.

60 APPLIED LIFE SCIENCES↗

Guest Editorial: Planning and operation of resilient distribution system for integrated multi-energy

Resilience is the ability of power systems to prepare for and adapt to low-probability, high-impact incidents and withstand and recover rapidly from disruptions. With the ageing of electricity distribution infrastructure and increasing threats of weather-related incidents and natural disasters, the need to effectively enhance the resilience of the electricity distribution system has become urgent and has attracted worldwide attention. Although there are an increasing number of publications related to enhancing resilience strategies, resilience is an emerging concept in power systems. Existing practices are mostly focused on deploying distributed energy resources (DERs) and microgrids, hardening the existing infrastructures and building redundant capacities. However, from a broader perspective, resilience enhancement of power distribution system is a systematic engineering, involving long-term system planning and upgrading (e.g., deployment of smart grid technologies and intelligent switches), short-term proactive scheduling, real-time robust and resilient control of DERs, and post-event restoration and recovery strategies. Based on this point, this Special Issue in IET Energy System Integration focuses on soliciting the most recent and original technologies, scheduling and control strategies for improving the resilience of power distribution system. Eight papers are presented in this Special Issue, covering various aspects related to resilience enhancement of power distribution system, including fault-tolerant frequency measurement, robust scheduling of integrated electricity and district heating systems, robust control of DERs, efficient methods for safety verification as well as novel graph theory-based approach to restore the distribution systems after multiple simultaneous faults. A brief introduction of these 8 papers is provided below.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Dynamic, symmetry-preserving, and hardware-adaptable circuits for quantum computing many-body states and correlators of the Anderson impurity model

We present a hardware-reconfigurable ansatz on N q -qubits for the variational preparation of many-body states of the Anderson impurity model (AIM) with N imp + N bath = N q /2 sites, which conserves total charge and spin z component within each variational search subspace. The many-body ground state of the AIM is determined as the minimum over all minima of O(N$^2_ q$) distinct charge-spin sectors. Hamiltonian expectation values are shown to require ω(N q ) < N meas. $\leqslant$ O(N imp N bath ) symmetry-preserving, parallelizable measurement circuits, each amenable to postselection. To obtain the one-particle impurity Green’s function we show how initial Krylov vectors can be computed via midcircuit measurement and how Lanczos iterations can be computed using the symmetry-preserving ansatz. For a single-impurity Anderson model with a number of bath sites increasing from one to seven, we show using numerical emulation that the ease of variational ground-state preparation is suggestive of linear scaling in circuit depth and subquartic scaling in optimizer complexity. We therefore expect that, combined with time-dependent methods for Green’s function computation, our ansatz provides a useful tool to account for electronic correlations on early fault-tolerant processors. Finally, with a view towards computing real materials properties of interest like magnetic susceptibilities and electron-hole propagators, we provide a straightforward method to compute many-body, time-dependent correlation functions using a combination of time evolution, midcircuit measurement-conditioned operations, and the Hadamard test.

36 MATERIALS SCIENCE↗

Design of Experiments Involving Molybdenum in SNL SPRF/CX Facility

This report is part of the collaboration with the Nuclear Criticality Safety Program and constitutes the “CED-2 report” of the experiments proposed in the SPRF/CX facility of SANDIA National Laboratories to contribute to the validation of Molybdenum in thermal energy spectrum. It supplements the study carried out in the CED-1 report by providing a more precise design of the proposed experiments and presents a complete evaluation of the experimental uncertainties. In the CED-1 report, corresponding to the preliminary design of the experiments, IRSN identified several promising configurations that could be implemented in the SPRF/CX facility of SNL. They use metallic molybdenum either in the form of foils between the UO 2 pellets inside BUCCX rods, or in the form of sleeves surrounding 7uPCX rods. In this CED-2 report, a new design using molybdenum sleeves surrounding BUCCX rods is also analyzed and the experimental uncertainties of all the proposed configurations are estimated. Given the constraints to carry out the experiments and the costs associated with the manufacturing of the foils, the experiments using molybdenum foils are discarded. Similarly, the design using molybdenum sleeves around BUCCX rods leads to significant manufacturing costs which could certainly be partially offset by use of existing grids but which would lead to slightly lower values of the integral sensitivities to the cross sections of molybdenum. Consequently, the design using molybdenum sleeves around 7uPCX rods is favored insofar as it presents higher $k_{eff}$ sensitivities to the molybdenum cross sections and that there is still possibility to reduce the number of sleeves to reduce the cost of experiments. Regarding feedback on nuclear data in support of criticality safety assessment, one of the advantages of the work described here is that the proposed experiments are not correlated with the MIRTE and FP experiments using molybdenum. In addition, they lead to higher sensitivity values in the thermal energy range than the existing experiments and partly “cover” the first resonance of the 95 Mo, which is a real advantage for improving knowledge on molybdenum cross sections.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

An Adaptive-Importance-Sampling-Enhanced Bayesian Approach for Topology Estimation in an Unbalanced Power Distribution System

The reliable operation of a power distribution system relies on a good prior knowledge of its topology and its system state. Although crucial, due to the lack of direct monitoring devices on the switch statuses, the topology information is often unavailable or outdated for the distribution system operators for real-time applications. Apart from the limited observability of the power distribution system, other challenges are the nonlinearity of the model, the complicated, unbalanced structure of the distribution system, and the scale of the system. To overcome the above challenges, we, in this paper, propose a Bayesian-inference framework that allows us to simultaneously estimate the topology and the state of a three-phase, unbalanced power distribution system. Specifically, by using the very limited number of measurements available that are associated with the forecast load data, we efficiently recover the full Bayesian posterior distributions of the system topology under both normal and outage operation conditions. This is performed through an adaptive importance sampling procedure that greatly alleviates the computational burden of the traditional Monte-Carlo (MC)-sampling-based approach while maintaining a good estimation accuracy. The simulations conducted on the IEEE 123-bus test system and an unbalanced 1282-bus system reveal the excellent performances of the proposed method.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Reinforcement Learning for feedback-enabled cyber resilience

The rapid growth in the number of devices and their connectivity has enlarged the attack surface and made cyber systems more vulnerable. As attackers become increasingly sophisticated and resourceful, mere reliance on traditional cyber protection, such as intrusion detection, firewalls, and encryption, is insufficient to secure the cyber systems. Cyber resilience provides a new security paradigm that complements inadequate protection with resilience mechanisms. A Cyber-Resilient Mechanism (CRM) adapts to the known or zero-day threats and uncertainties in real-time and strategically responds to them to maintain the critical functions of the cyber systems in the event of successful attacks. Feedback architectures play a pivotal role in enabling the online sensing, reasoning, and actuation process of the CRM. Reinforcement Learning (RL) is an important gathering of algorithms that epitomize the feedback architectures for cyber resilience. It allows the CRM to provide dynamic and sequential responses to attacks with limited or without prior knowledge of the environment and the attacker. In this work, we review the literature on RL for cyber resilience and discuss the cyber-resilient defenses against three major types of vulnerabilities, i.e., posture-related, information-related, and human-related vulnerabilities. Here we introduce moving target defense, defensive cyber deception, and assistive human security technologies as three application domains of CRMs to elaborate on their designs. The RL algorithms also have vulnerabilities themselves. We explain the major vulnerabilities of RL and present develop several attack models where the attacker target the information exchanged between the environment and the agent: the rewards, the state observations, and the action commands. We show that the attacker can trick the RL agent into learning a nefarious policy with minimum attacking effort. The paper introduces several defense methods to secure the RL-enabled systems from these attacks. However, there is still a lack of works that focuses on the defensive mechanisms for RL-enabled systems. Last but not least, we discuss the future challenges of RL for cyber security and resilience and emerging applications of RL-based CRMs.

97 MATHEMATICS AND COMPUTING↗

Bridge Sites of Au Surfaces Are Active for Electrocatalytic CO 2 Reduction

Prior in-situ attenuated total reflectance Fourier transform infrared (ATR-FTIR) studies of electrochemical CO 2 reduction catalyzed by Au, one of the most selective and active electrocatalysts to produce CO from CO 2 , suggest that the reaction proceeds solely on the top sites of the Au surface. This finding is worth updating with an improved spectroelectrochemical system where in-situ IR measurements can be performed under real reaction conditions that yield high CO selectivity. Herein, we report the preparation of a Au-coated Si ATR crystal electrode with both high catalytic activity for CO 2 reduction and strong surface enhancement of IR signals validated in the same spectroelectrochemical cell, which allows us to probe the adsorption and desorption behavior of bridge-bonded *CO species (*CO B ). In this study we find that the Au surface restructures irreversibly to give an increased number of bridge sites for CO adsorption within the initial tens of seconds of CO 2 reduction. By studying the potential-dependent desorption kinetics of *CO B and quantifying the steady-state surface concentration of *CO B under reaction conditions, we further show that *CO B are active reaction intermediates for CO 2 reduction to CO on the Au surface. At medium overpotential, as high as 38% of the reaction occurs on the bridge sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Autonomous Electrochemistry Platform with Real-Time Normality Testing of Voltammetry Measurements Using ML

Electrochemistry workflows utilize various instruments and computing systems to execute workflows consisting of electrocatalyst synthesis, testing and evaluation tasks. The heterogeneity of the software and hardware of these ecosystems makes it challenging to orchestrate a complete workflow from production to characterization by automating its tasks. We propose an autonomous electrochemistry computing platform for a multi-site ecosystem that provides the services for remote experiment steering, real-time measurement transfer, and AI/ML-driven analytics. We describe the integration of a mobile robot and synthesis workstation into the ecosystem by developing custom hub-networks and software modules to support remote operations over the ecosystem’s wireless and wired networks. We describe a workflow task for generating I-V voltammetry measurements using a potentiostat, and a machine learning framework to ensure their normality by detecting abnormal conditions such as disconnected electrodes. We study a number of machine learning methods for the underlying detection problem, including smooth, non-smooth, structural and statistical methods, and their fusers. We present experimental results to illustrate the effectiveness of this platform, and also validate the proposed ML method by deriving its rigorous generalization equations.

Alnajjar, Anees↗

Dynamics of Polymer Nanocapsule Buckling and Collapse Revealed by In Situ Liquid-Phase TEM

Nanocapsules are hollow nanoscale shells that have applications in drug delivery, batteries, self-healing materials, and as model systems for naturally occurring shell geometries. In many applications, nanocapsules are designed to release their cargo as they buckle and collapse, but the details of this transient buckling process have not been directly observed. In this work, we use in situ liquid-phase transmission electron microscopy to record the electron-irradiation-induced buckling in spherical 60-187 nm polymer capsules with ~3.5 nm walls. We observe in real time the release of aqueous cargo from these nanocapsules and their buckling into morphologies with single or multiple indentations. The in situ buckling of nanoscale capsules is compared to ex situ measurements of collapsed and micrometer-sized capsules and to Monte Carlo (MC) simulations. The shape and dynamics of the collapsing nanocapsules are consistent with MC simulations, which reveal that the excessive wrinkling of nanocapsules with ultrathin walls results from their large Föppl-von Kármán numbers around 10 5 . Our experiments suggest design rules for nanocapsules with the desired buckling response based on parameters such as capsule radius, wall thickness, and collapse rate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

New insight into tuning magnetic phases of RMn6Sn6 kagome metals

Abstract Predicting magnetic ordering in kagome compounds offers the possibility of harnessing topological or flat-band physical properties through tuning of the magnetism. Here, we examine the magnetic interactions and phases of ErMn 6 Sn 6 which belongs to a family of R Mn 6 Sn 6 , R = Sc, Y, Gd–Lu, compounds with magnetic kagome Mn layers, triangular R layers, and signatures of topological properties. Using results from single-crystal neutron diffraction and mean-field analysis, we find that ErMn 6 Sn 6 sits close to the critical boundary separating the spiral-magnetic and ferrimagnetic ordered states typical for non-magnetic versus magnetic R layers, respectively. Finding interlayer magnetic interactions and easy-plane Mn magnetic anisotropy consistent with other members of the family, we predict the existence of a number of temperature and field dependent collinear, noncollinear, and noncoplanar magnetic phases. We show that thermal fluctuations of the Er magnetic moment, which act to weaken the Mn-Er interlayer magnetic interaction and quench the Er magnetic anisotropy, dictate magnetic phase stability. Our results provide a starting point and outline a multitude of possibilities for studying the behavior of Dirac fermions in R Mn 6 Sn 6 compounds with control of the Mn spin orientation and real-space spin chirality.

36 MATERIALS SCIENCE↗