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At least 181 records · Page 10

Scalable Approaches to Selecting Key Entities in Large Networked Infrastructure Systems

This work aims at bringing advances in discrete optimization algorithms to solving practical engineering problems at scale. Often times, in many engineering design problems, there is a need to select a small set of influential or representative elements from a large ground set of entities in an optimal fashion. Submodular optimization provides for a formal way to solve such problems. Common examples with infrastructure systems involve sensor placement and identification of key entities with certain objectives. However, scaling these approaches to large infrastructure systems can be challenging because of the high computational complexity of the overall framework that include the optimization algorithms as well as high-complexity compute-oracles that provide the necessary objective function values. In this work, we explore a well-studied and widely-applicable paradigm, namely leader-selection in a multi-agent networked setting in the context of scalable methodologies. We demonstrate novel frameworks that utilize variations of accelerated submodular optimization algorithms along with linear-algebraic methods that can help accelerate the oracle computations. We further explore this combination in conjunction with graph partitioning paradigms to take advantage of the accelerated algorithms in a distributed setting. Finally we demonstrate the key findings on a practical problem in an operational setting. For this, we leverage an example road network with approximately 18k nodes and 27k edges in a traffic control application, where we seek a limited number of k=200 key intersections. This problem can be solved in a serial setting in just under 5 hours providing more than 2 orders of magnitude speed-up over methods that do not consider acceleration techniques.

Visweswara Sathanur, Arun↗

Pressurized Water Reactor Gadolinia Pin Location Optimization

This report presents the results of lattice optimization studies performed to find optimum locations for gadolinia burnable absorber (BA) rods in pressurized water reactor (PWR) lattice fuel designs. Initial excess reactivity suppression allows core designers to further improve operational economics by extending cycle length. Gadolinia BAs are commonly used in boiling water reactor assembly designs for this purpose. In recent years, gadolinia absorbers have been used in PWR designs owing to their longer effectiveness for reactivity suppression compared with common BAs used in PWR assemblies. This report examines the optimum gadolinia pin placement in 17 × 17 PWR lattices at different fuel and gadolinia concentrations for optimized lattice performance, using the SCALE/Polaris lattice physics code. The completed work is continuation of the Light Water Reactor LEU+ Lattice Optimization (ORNL/TM-2021/2366) project. An optimization driver called the metaheuristic optimization tool (MOT) is used to automate domain space exploration and optimization of the lattice designs. Heuristics from previous light-water reactor (LWR) lattice optimization studies were used to construct the objective function and define the domain space for optimization. This work successfully demonstrated that the optimization algorithms of MOT can generate feasible, nonproprietary PWR lattice designs with gadolinia.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Capturing thin structures in VOF simulations with two-plane reconstruction

A novel interface reconstruction strategy for volume of fluid (VOF) methods is introduced that represents the liquid-gas interface as two planes that co-exist within a single computational cell. In comparison to the piecewise linear interface calculation (PLIC), this new algorithm greatly improves the accuracy of the reconstruction, in particular when dealing with thin structures such as films. The placement of the two planes requires the solution of a non-linear optimization problem in six dimensions, which has the potential to be overly expensive. Further, an efficient solution to this optimization problem is presented here that exploits two key ideas: an algorithm for extracting multiple plane orientations from transported surface data, and an efficient and mass-conserving distance-finding algorithm that accounts for two planes with arbitrary orientation. Additionally, a simple and robust strategy is presented to accurately represent the surface tension forces produced at the interface of subgrid-thickness films. The performance of this new VOF reconstruction is demonstrated on several test cases that illustrate the capability to handle arbitrarily thin films.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Optimal Design and Operation of Intensified Absorbers with 3D-Printed Packing for Solvent-Based CO 2 Capture

Many potential solvent-based carbon capture processes suffer from a high heat of absorption of CO 2 that adversely affects the thermodynamic driving force. While interstage coolers are often used for removing a portion of the generated heat by removing the solvent or a portion of the solvent from a stage and cooling and returning it back to the absorber, they can be placed only at discrete locations in the tower. This work investigates intensified absorbers with 3D-printed packing that includes an internal cooler and therefore can be potentially used for maximizing the operational efficiency of the absorbers for CO 2 capture. The intensified absorber is modeled by using a generic, first-principles, equation-oriented absorber column model. Since the placement of these intensified packings would cause a loss of area/volume used for mass transfer, optimization of the proposed intensified absorber is performed by optimally selecting the locations at which to place these devices and designing them such that the trade-off due to the addition of the heat removal area and the resulting loss in the mass transfer area is accounted for. Results show that optimally placed and designed intensified packings can lead to a significant increase in the capture efficiency of the process in comparison to a similar column with no internal cooling. It is also observed that by optimally placing and designing intensified packings, the lean solvent flow rate to the absorber can be decreased, and the CO 2 lean loading can be increased while still maintaining the same capture efficiency. These process changes can lead to a substantial reduction in the cost of capture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Artificial ground reflector size and position effects on energy yield and economics of single‐axis‐tracked bifacial photovoltaics

Abstract Artificial ground reflectors improve bifacial energy yield by increasing both front and rear‐incident irradiance. Studies have demonstrated an increase in energy yield due to the addition of artificial reflectors; however, they have not addressed the effect of varying reflector dimensions and placement on system performance and the impact of these parameters on the reflectors' financial viability. We studied the effect of high albedo (70% reflective) artificial reflectors on single‐axis‐tracked bifacial photovoltaic systems through ray‐trace modeling and field measurements. In the field, we tested a range of reflector configurations by varying reflector size and placement and demonstrated that reflectors increased daily energy yield up to 6.2% relative to natural albedo for PERC modules. To confirm the accuracy of our model, we compared modeled and measured power and found a root mean square error (RMSE) of 5.4% on an hourly basis. We modeled a typical meteorological year in Golden, Colorado, to demonstrate the effects of artificial reflectors under a wide range of operating conditions. Seventy percent reflective material can increase total incident irradiance by 1.9%–8.6% and total energy yield by 0.9%–4.5% annually after clipping is considered with a DC–AC ratio of 1.2. Clipping has a significant effect on reflector impact and must be included when assessing reflector viability because it reduces reflector energy gain. We calculated a maximum viable cost for these improvements of up to $2.50–4.60/m 2 , including both material and installation, in Golden. We expanded our analysis to cover a latitude range of 32–48°N and demonstrated that higher‐latitude installations with lower energy yield and higher diffuse irradiance content can support higher reflector costs. In both modeling and field tests, and for all locations, the ideal placement of the reflectors was found to be directly underneath the module due to the optimized rear irradiance increase.

14 SOLAR ENERGY↗

Modification of Jet Velocities in an Explosively Loaded Copper Target with a Conical Cavity

Here, in this work, the design and execution of an experiment with the goal of demonstrating control over the evolution of a copper jet is described. Simulations show that when using simple multi-material buffers placed between a copper target with a conical cavity and a cylinder of high-explosive, a variety of jetting behaviors occur based on material placement, including both jet velocity augmentation and mitigation. A parameter sweep was performed to determine optimal buffer designs in two configurations. Experiments using the optimal buffer designs verified the effectiveness of the buffers at altering jet velocities. Similar trends were shown between the experimental results and the modeling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Development of a Heavy-Duty Electric Vehicle Integration and Implementation (HEVII) Tool

As demand for consumer electric vehicles (EVs) has drastically increased in recent years, manufacturers have been working to bring heavy-duty EVs to market to compete with Class 6-8 diesel-powered trucks. Many high-profile companies have committed to begin electrifying their fleet operations, but have yet to implement EVs at scale due to their limited range, long charging times, sparse charging infrastructure, and lack of data from in-use operation. Thus far, EVs have been disproportionately implemented by larger fleets with more resources. To aid fleet operators, it is imperative to develop tools to evaluate the electrification potential of heavy-duty fleets. However, commercially available tools, designed mostly for light-duty vehicles, are inadequate for making electrification recommendations tailored to a fleet of heavy-duty vehicles. The main challenge is that light-duty tools do not estimate real-time vehicle mass, a factor that has a disproportionate impact on the energy consumption of large commercial vehicles. The Heavy-Duty Electric Vehicle Integration and Implementation (HEVII) tool advances the state of the art in evaluating electrification potential and infrastructure requirements for fleets of commercial vehicles. In this work, the HEVII tool is demonstrated with non-uniformly sampled telematics data from an existing fleet to assess the suitability for electrification of each individual vehicle, determine optimal locations for charging infrastructure to support a fleet of EVs and analyze associated costs. Payload mass is predicted using sparse ground-truth data for all input drive cycles and an initial data analysis is conducted to assess the characteristics driving behaviors and energy consumption of the fleet using an adaptable vehicle model. Battery size requirements are determined by applying a novel charger placement algorithm to maximize routes that are viable for EVs and balance time delays with infrastructure development costs. This work details and demonstrates the different aspects of the HEVII tool, presenting preliminary results from an example use case.

ADVANCED PROPULSION SYSTEMS↗

Greedy permanent magnet optimization

Abstract A number of scientific fields rely on placing permanent magnets in order to produce a desired magnetic field. We have shown in recent work that the placement process can be formulated as sparse regression. However, binary, grid-aligned solutions are desired for realistic engineering designs. We now show that the binary permanent magnet problem can be formulated as a quadratic program with quadratic equality constraints, the binary, grid-aligned problem is equivalent to the quadratic knapsack problem with multiple knapsack constraints, and the single-orientation-only problem is equivalent to the unconstrained quadratic binary problem. We then provide a set of simple greedy algorithms for solving variants of permanent magnet optimization, and demonstrate their capabilities by designing magnets for stellarator plasmas. The algorithms can a-priori produce sparse, grid-aligned, binary solutions. Despite its simple design and greedy nature, we provide an algorithm that compares with or even outperforms the state-of-the-art algorithms while being substantially faster, more flexible, and easier to use.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Voltage Optimization

Voltage optimization refers to a volt-var optimization technique which was originally designed to minimize energy consumption and improve end-use efficiency on the distribution system. This reduces source voltage at a substation, which lowers generation demand, reduces system losses, and improves system stability. This has been the conventional implementation of voltage optimization: focusing on regulation of voltages throughout the distribution system via coordinated adjustments of load tap changers, line-voltage regulators, switched shunt compensation, and the targeted placement of new shunt compensation. These methods have received increased focus following a growth in distributed-energy resources (DERs) interconnecting at the distribution level, given their developing capability to participate in voltage regulation. This is paired with the intermittency challenges they pose, load imbalances, and voltage fluctuations. Voltage optimization has long been an area of extensive research within the distribution system, with various strategies and philosophies demonstrating a range of effects. The conventional focus on the distribution system owes to the typical operation of transmission systems, which assumes firm local resources and flows strictly from generation resources to loads. The strategies employed in distribution have also been optimized for this typically radial configuration and operation of the distribution system.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

FIRE: A Failure-Adaptive RL Framework for Edge Computing Migrations

In edge computing, users' service profiles are migrated between edge servers due to user mobility. Reinforcement Learning (RL) frameworks have been proposed to do so, often trained on simulated data. However, existing RL frameworks overlook occasional server failures, which although rare, impact latency-sensitive applications like AR/VR and real- time obstacle detection. These rare failures, being not adequately represented in historical training data, pose a challenge for data-driven RL algorithms. We introduce FIRE, a framework that adapts to rare events by training a RL policy in an edge computing digital twin environment. We propose FIRE-ImRE, an importance sampling-based Q-learning algorithm, which samples rare events proportionally to their impact on the value function. FIRE considers delay, migration, failure, and backup placement costs across individual and shared service profiles. We prove FIRE-ImRE's boundedness and convergence to optimality. Next, we introduce novel deep Q-learning (FIRE-ImDQL) and actor critic (FIRE-ImACRE) versions of our algorithm to enhance scalability. Here, we extend our framework to accommodate users with varying risk tolerances of rare failure events. Through trace-driven experiments, we show that FIRE reduces edge computing costs compared to vanilla RL and the greedy baseline in the event of failures.

Edge computing↗

Quantum Fast Approximate Synthesis Tool (QFAST) v1.0.0

We present QFAST, a quantum synthesis tool designed to produce short circuits and to scale well in practice. Our contributions are: 1) a novel representation of circuits able to encode placement and topology; 2) a hierarchical approach with an iterative refinement formulation that combines "coarse-grained" fast optimization during circuit structure search with a good, but slower, optimization stage only in the final circuit instantiation stage. When compared against state-of-the-art techniques, although not optimal, QFAST can generate much shorter circuits for "time dependent evolution" algorithms used by domain scientists. We also show the composability and tunability of our formulation in terms of circuit depth and running time. For example, we show how to generate shorter circuits by plugging in the best available third party synthesis algorithm at a given hierarchy level. Composability enables portability across chip architectures, which is missing from the available approaches.

Younis, Ed↗

Sensitivity analysis of design parameters in RowWise borehole layout for ground heat exchangers

Ground source heat pump systems offer a promising pathway toward energy-efficient building heating and cooling. The performance and cost-effectiveness of these systems heavily depend on the design of the ground heat exchanger (GHE), particularly the spatial placement of boreholes used in large commercial buildings. Among various borefield layout strategies, the RowWise approach generates and optimizes borehole configurations within irregular polygonal land boundaries, providing land-use efficiency and installation flexibility. While multiple geometric design parameters constrain the RowWise layout, their influence on the system thermal performance and total drilling requirements remains unclear. Thus, this study presents a sensitivity analysis of key design parameters influencing the RowWise layout of vertical borehole GHEs, including the perimeter spacing ratio, borehole spacing, borehole field rotation angle, and borehole length. GHEDesigner and Ray Tune are employed to generate and assess different RowWise configurations. A series of parametric simulations was conducted to quantify the impact of each parameter on geometric distribution, economic cost, and computational speed. The results provide critical insights into the sensitivity and relative importance of different design parameters of RowWise method, offering practical guidance for designers aiming to optimize GHE layouts by balancing thermal efficiency, land constraints, and economic feasibility.

Xu, Dikai [Purdue University]↗

Optimizing the design and operation of water networks: Two decomposition approaches

We consider the design and operation of water networks simultaneously. Water network problems can be divided into two categories: the design problem and the operation problem. The design problem involves determining the appropriate pipe sizing and placements of pump stations, while the operation problem involves scheduling pump stations over multiple time periods to account for changes in supply and demand. Our focus is on networks that involve water co-produced with oil and gas. While solving the optimization formulation for such networks, we found that obtaining a primal (feasible) solution is more challenging than obtaining dual bounds using off-the-shelf mixed-integer nonlinear programming solvers. Therefore, we propose two methods to obtain good primal solutions. One method involves a decomposition framework that utilizes a convex reformulation, while the other is based on time decomposition. To test our proposed methods, we conduct computational experiments on a network derived from the PARETO case study.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Updates to the ATLAS Data Carousel Project

The High Luminosity upgrade to the LHC (HL-LHC) is expected to deliver scientific data at the multi-exabyte scale. In order to address this unprecedented data storage challenge, the ATLAS experiment launched the Data Carousel project in 2018. Data Carousel is a tape-driven workflow whereby bulk production campaigns with input data resident on tape are executed by staging and promptly processing a sliding window to disk buffer such that only a small fraction of inputs are pinned on disk at any one time. Data Carousel is now in production for ATLAS in Run3. In this paper, we provide updates on recent Data Carousel R&D projects, including data-on-demand and tape smart writing. Data-on-demand removes from disk data that has not been accessed for a predefined period, when users request them, they will be either staged from tape or recreated by following the original production steps. Tape smart writing employs intelligent algorithms for file placement on tape in order to retrieve data back more efficiently, which is our long term strategy to achieve optimal tape usage in Data Carousel.

42 ENGINEERING↗

Co-Design of Charge Transport Superhighways to Connect Catalytic Sites in Soft Photoelectrochemical Systems

Efficient photon-to-electron-to-molecule conversion requires multi-length scale control over charge transport pathways, where electronic charges are delivered to catalytic sites under high mass transport flux. A fundamental question is how can we co-design charge transport pathways to promote efficient charge transfer to/from catalytic sites in complex three-dimensional architectures? Soft conducting polymer systems offer exceptional promise to provide three-dimensional charge transport networks, where electrolyte (ion and solvent) can interdiffuse to promote long-lived charge carriers and the molecular nature allows for strategic synthetic design of catalytic sites. Herein we combine theoretical and experimental approaches to investigate the earliest stages of photoelectrochemical deposition of near-surface catalytic sites (Pt) on soft bulk heterojunction polymeric semiconductors composed of a prototype donor (PTB7-Th) and a prototype acceptor (N2200) as a model system towards better understanding molecular catalyst-polymer site interactions. We focus initially on photoelectrochemical deposition of low Pt loadings, nanoparticle sizes (formed by progressive nucleation) below 20 nm, for both density functional theory (DFT) modeling studies and for spectroscopic characterization using surface-sensitive X-ray and UV-photoemission (XPS/UPS). DFT modeling of “n-type” N2200 slabs reveal for the first time that sulfur atoms in the thiophene units serve as the lowest-energy adsorption sites for single Pt atoms, while larger Pt clusters engage more complexly with both thiophene and naphthalene diimide (NDI) core sites. Changes in chemical composition observed by X-ray photoelectron spectroscopy (XPS) support the DFT predictions, and the angle-resolved measurements reveal that Pt nucleation initiates at subsurface sites which appear to be localized active domains that promote charge transport/transfer and enable vertical growth toward the surface. These results suggest that light-activated Pt nanoparticle deposition decorates energetically distinct sites, where photoactivity is dictated by the local energetics of those sites, and the fact that they represent the termini of charge transport “super-highways” – a small percentage of the total volume of the donor/acceptor polymeric active layer which carries most of the photocurrent generated during both Pt deposition and photoelectrochemical HER. We posit that these initial studies provide a foundational strategy for design of catalytic sites in the near surface regions of complex polymeric materials and advancing soft semiconductor-based photoelectrochemical systems. Achieving a nanometer-scale understanding of catalyst deposition and the impact of local composition and energetics on that placement, should ultimately provide the design guidelines (co-design) for a broad array of catalysts at sites that optimize that efficiency and maximize platform durability.

14 SOLAR ENERGY↗

Likelihood-based interactive local docking into cryo-EM maps in ChimeraX

The interpretation of cryo-EM maps often includes the docking of known or predicted structures of the components, which is particularly useful when the map resolution is worse than 4 Å. Although it can be effective to search the entire map to find the best placement of a component, the process can be slow when the maps are large. However, frequently there is a well-founded hypothesis about where particular components are located. In such cases, a local search using a map subvolume will be much faster because the search volume is smaller, and more sensitive because optimizing the search volume for the rotation-search step enhances the signal to noise. A Fourier-space likelihood-based local search approach, based on the previously published em_placement software, has been implemented in the new emplace_local program. Tests confirm that the local search approach enhances the speed and sensitivity of the computations. An interactive graphical interface in the ChimeraX molecular-graphics program provides a convenient way to set up and evaluate docking calculations, particularly in defining the part of the map into which the components should be placed.

59 BASIC BIOLOGICAL SCIENCES↗

First considerations on the supporting structures of FCC-ee booster and collider in the arc regions

In 2022, the FCC Feasibility Study management mandated a working group to analyse the best configuration of the FCC-ee tunnel in the arc regions, in view of the construction of a mock-up of the arc half-cell. One of the main and most challenging goals of the study, named FCC-ee Arc Half-Cell Mock-up Project, was to perform a preliminary investigation on the principles of supporting the Short-Straight Sections and dipoles of the half-cells, both for the booster and for the collider machines. This is an important input needed for the choice of the best configuration of the relative placement of the booster with respect to the collider. The structural stiffness, mass and stability of the supporting structures must be optimized to minimize the vibrations transmitted/transferred to the magnetic system of the accelerators by elements such as pumps, water cooling system, beam thermomechanical stresses, powering elements, etc. To perform the study, tools such as CAD software, FEM and analytical techniques were employed. This paper summarizes the preliminary design concepts and the results of the simulations performed.

Accelerator Subsystems and Technologies↗

Optimizing Piezoelectric Material Location and Size for Multiple-Mode Vibration Reduction of Turbomachinery Blades

Modern turbomachinery blades have extremely low inherent damping, which can lead to high transient vibrations and failure through high-cycle fatigue. Smart materials enable vibration reduction while meeting strict blade requirements such as weight and aerodynamic efficiency. In particular, piezoelectric-based vibration reduction offers the potential to reduce vibration semi-actively while simultaneously harvesting sufficient energy to power the implementation. The placement and the size of the piezoelectric material is critical to the vibration reduction capabilities of the system. Furthermore, the implementation should target multiple vibration modes. In this study, we develop a procedure to optimize electromechanical coupling across multiple vibration modes for a representative turbomachinery blade with surface-mounted piezoelectric patches. Experimental validation demonstrates good coupling across three targeted modes with a single piezoelectric patch. Placing the piezoelectric material in regions of high signed strain energy for all targeted modes enables vibration reduction across all of the targeted modes.

36 MATERIALS SCIENCE↗