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At least 1,207 records · Page 67

Complementary first and second derivative methods for ansatz optimization in variational Monte Carlo

We present a comparison between a number of recently introduced low-memory wave function optimization methods for variational Monte Carlo in which we find that first and second derivative methods possess strongly complementary relative advantages. While we find that low-memory variants of the linear method are vastly more efficient at bringing wave functions with disparate types of nonlinear parameters to the vicinity of the energy minimum, accelerated descent approaches are then able to locate the precise minimum with less bias and lower statistical uncertainty. By constructing a simple hybrid approach that combines these methodologies, we show that all of these advantages can be had at once when simultaneously optimizing large determinant expansions, molecular orbital shapes, traditional Jastrow correlation factors, and more nonlinear many-electron Jastrow factors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optimization of self-acting step thrust bearings for load capacity and stiffness.

Linearized analysis of a finite-width rectangular step thrust bearing. Dimensionless load capacity and stiffness are expressed in terms of a Fourier cosine series. The dimensionless load capacity and stiffness were found to be a function of the dimensionless bearing number, the pad length-to-width ratio, the film thickness ratio, the step location parameter, and the feed groove parameter. The equations obtained in the analysis were verified. The assumptions imposed were substantiated by comparing the results with an existing exact solution for the infinite width bearing. A digital computer program was developed which determines optimal bearing configuration for maximum load capacity or stiffness. Simple design curves are presented. Results are shown for both compressible and incompressible lubrication. Through a parameter transformation the results are directly usable in designing optimal step sector thrust bearings.

Hamrock, B. J.↗

Elucidating the differences in oxidation of high-performance α- and β- diisobutylene biofuels via Synchrotron photoionization mass spectrometry

Abstract Biofuels are a promising ecologically viable and renewable alternative to petroleum fuels, with the potential to reduce net greenhouse gas emissions. However, biomass sourced fuels are often produced as blends of hydrocarbons and their oxygenates. Such blending complicates the implementation of these fuels in combustion applications. Variations in a biofuel’s composition will dictate combustion properties such as auto ignition temperature, reaction delay time, and reaction pathways. A handful of novel drop-in replacement biofuels for conventional transportation fuels have recently been down selected from a list of over 10,000 potential candidates as part of the U.S. Department of Energy’s (DOE) Co-Optimization of Fuels and Engines (Co-Optima) initiative. Diisobutylene (DIB) is one such high-performing hydrocarbon which can readily be produced from the dehydration and dimerization of isobutanol, produced from the fermentation of biomass-derived sugars. The two most common isomers realized, from this process, are 2,4,4-trimethyl-1-pentene (α-DIB) and 2,4,4-trimethyl-2-pentene (β-DIB). Due to a difference in olefinic bond location, the α- and β- isomer exhibit dramatically different ignition temperatures at constant pressure and equivalence ratio. This may be attributed to different fragmentation pathways enabled by allylic versus vinylic carbons. For optimal implementation of these biofuel candidates, explicit identification of the intermediates formed during the combustion of each of the isomers is needed. To investigate the combustion pathways of these molecules, tunable vacuum ultraviolet (VUV) light (in the range 8.1–11.0 eV) available at the Lawrence Berkeley National Laboratory’s Advanced Light Source (ALS) has been used in conjunction with a jet stirred reactor (JSR) and time-of-flight mass spectrometry to probe intermediates formed. Relative intensity curves for intermediate mass fragments produced during this process were obtained. Several important unique intermediates were identified at the lowest observable combustion temperature with static pressure of 93,325 Pa and for 1.5 s residence time. As this relatively short residence time is just after ignition, this study is targeted at the fuels’ ignition events. Ignition characteristics for both isomers were found to be strongly dependent on the kinetics of C 4 and C 7 fragment production and decomposition, with the tert-butyl radical as a key intermediate species. However, the ignition of α-DIB exhibited larger concentrations of C 4 compounds over C 7 , while the reverse was true for β-DIB. These identified species will allow for enhanced engineering modeling of fuel blending and engine design.

09 BIOMASS FUELS↗

Combined Land Use of Solar Infrastructure and Agriculture for Socioeconomic and Environmental Co-Benefits in the Tropics

Solar photovoltaics (PV) are on the rise even in areas of low solar insolation. However, in developing countries with limited capital, land scarcity, or with geographically isolated agrarian communities, large solar infrastructures are often impractical. In these cases, implementation of low-density PV over existing crops may be required to integrate renewable energy services into rural communities. Here, using Indonesia as a model system, we investigated the land use, energy, greenhouse gas emissions, economic feasibility, and the environmental co-benefits associated with off-grid solar PV when combined with high value crop cultivation. The life cycle analyses indicate that small-scale dual land-use systems are economically viable in certain configurations and have the potential to provide several co-benefits including rural electrification, retrofitting diesel electricity generation, and electricity for processing agricultural products locally. A hypothetical full-density off-grid solar PV for a model village in Indonesia shows that electricity output (1907.5 GJ yr-1) is much higher than the total residential consumption (678 GJ yr-1), highlighting the opportunity to downscale the PV infrastructure by half to lower capital cost, to co-locate crops, and to support secondary income generating activities. Economic analysis shows that the 30-year net present cost of electricity from the half-density co-located PV system (12,257 million IDR) is significantly lower than that of the flat cost of diesel required to generate equivalent electricity (14,702 million IDR). Our analysis provides insights for smarter energy planning by optimizing the efficiency of land use and limiting conversion of agricultural and forested areas for energy production.

agrivoltaics↗

Initial Field Deployment Results of Green PCB Removal from Sediment Systems (GPRSS)

The goal of this task order was to complete optimization and development of the Green PCB Remediation from Sediment Systems(GPRSSs) technology, culminating in the production of functioning demonstration test units which would be deployed at a suitable demonstration location. This location would be selected in conjunction with Toxicological & Ecological Associates who have entered into a SAA with NASA to partner with and further develop this technology. The GPRSSs technology was initially developed under ESC Task Order 83 with the purpose of providing a green remediation technology capable of in-situ removal and remediation of polychlorinated biphenyls (PCBs) from contaminated sediments. The core concept of the technology, a polymeric blanket capable of absorbing PCBs when in contact with contaminated sediments was then transitioned to Task Order 165 where the primary objective was to fully design and optimize a functioning test unit capable of testing the theoretical and laboratory scale concepts in a real world situation. Results from both task orders are included in this report for completeness, although Task Order 165 focused on the blanket design and the small scale field demonstration in which is currently still ongoing in Altavista, VA.

Deployment↗

Optimal blending management of biomass resources used for biochemical conversion

This research develops an optimization model to describe the tradeoff among blend components in the least-cost biomass blend, based on resource availability, quality requirements, and logistics cost for a biochemical conversion. A mixed-integer linear programming model is developed to determine the least-cost blend from a set of candidate feedstocks. A case study – based on a biorefinery located in western Kansas that uses three-pass corn stover, two-pass corn stover, switchgrass, miscanthus, and municipal solid waste fractions to meet biochemical conversion specifications and feedstock demand – shows that the delivered cost of an optimal blend that meets carbohydrate and ash specifications is 12.12% higher than the delivered cost of optimal blend that meets a carbohydrate specification only. The results indicate that a least-cost blend that meets both carbohydrate and ash specifications consists of miscanthus (48.2%) and switchgrass (29.4%) whereas the least-cost blend meeting carbohydrate specification only comprises three-pass corn stover (55.4%) and two-pass corn stover (20.4%). Here an optimal blend uses a low-cost municipal solid waste fraction in all cases, implying that blending could be a potential strategy to reduce delivered feedstock cost.

09 BIOMASS FUELS↗

Uncertainty Analysis in 3D Equilibrium Reconstruction

Reconstruction is an inverse process where a parameter space is searched to locate a set of parameters with the highest probability of describing experimental observations. Due to systematic errors and uncertainty in experimental measurements, this optimal set of parameters will contain some associated uncertainty. This uncertainty in the optimal parameters leads to uncertainty in models derived using those parameters. V3FIT is a three-dimensional (3D) equilibrium reconstruction code that propagates uncertainty from the input signals, to the reconstructed parameters, and to the final model. Here in this paper, we describe the methods used to propagate uncertainty in V3FIT. Using the results of whole shot 3D equilibrium reconstruction of the Compact Toroidal Hybrid, this propagated uncertainty is validated against the random variation in the resulting parameters. Two different model parameterizations demonstrate how the uncertainty propagation can indicate the quality of a reconstruction. As a proxy for random sampling, the whole shot reconstruction results in a time interval that will be used to validate the propagated uncertainty from a single time slice.

97 MATHEMATICS AND COMPUTING↗

Genomic insights into local adaptation and migration success in reintroduced Coho Salmon of the Wenatchee River basin

ABSTRACT Objective Reintroduction of salmonids into regions where they have been extirpated is a common conservation strategy that is often implemented through natural recolonization, translocation of natural populations, or hatchery-based programs. Locally adapting to specific environmental conditions is critical for long-term population viability, particularly for species like Coho Salmon Oncorhynchus kisutch, which face diverse selective pressures during their migration. This study focused on the mid-Columbia River Coho Salmon reintroduction program managed by Yakama Nation Fisheries, which has successfully reintroduced Coho Salmon into the Wenatchee and Methow River basins, Washington. Notably, these populations have adapted to the longer migration route than those in the founding stock, with selection favoring individuals with an earlier arrival time and that can navigate a 15-km, high-gradient canyon to reach optimal spawning grounds. The objectives of this study were to investigate whether specific genomic regions are under selection for traits associated with return location and timing in Coho Salmon. Methods Low-coverage whole-genome resequencing data were used to screen for genomic regions associated with the phenotypes of interest. Results A weak polygenic signal in female Coho Salmon was found to be associated with return group, with a subset of candidate adaptive regions occurring across eight chromosomes. Conclusions These findings provide insights into the genomic mechanisms underlying local adaptation in reintroduced salmon populations and inform broodstock selection strategies aimed at promoting natural production and long-term population sustainability.

Horn, Rebekah L.↗

A Comparison Study of the Performance of South/North Facing vs East/West-Facing Bifacial Modules under Shading Condition

Horizon obstructions can decrease the diffuse and direct light received by photovoltaic (PV) modules. In this paper, we compare the performances of the two bifacial PV system orientations: optimally tilted facing south/north (Bi S/N ), and vertically installed facing east/west (Bi E/W ) under no-shading and shading conditions. We considered multiple locations with different latitudes and weather types and observed that without any horizon obstructions, Bi S/N outperforms Bi E/W for most locations. However, certain types of obstructions cause Bi E/W to have higher energy yield than Bi S/N . For sunnier and lower latitude locations such as Albuquerque, NM, a very large obstruction at south causes this result. On the other hand, for higher latitude locations (e.g. Anchorage, AK), much smaller obstructions at south is enough to have higher energy yield for Bi E/W than Bi S/N . Under certain shading conditions Bi E/W produces up to 75 kWh/year more energy than Bi S/N.

14 SOLAR ENERGY↗

Assessing the Expansion of Ground-Motion Sensing Capability in Smart Cities via Internet Fiber-Optic Infrastructure

Monitoring ground motion in smart cities can improve the public safety by providing critical insights on natural and anthropogenic hazards, for example, earthquakes, landslides, explosions, infrastructure failures, and so forth. Although seismic activity is typically measured using dedicated point sensors (e.g., geophones and accelerometers), techniques such as distributed acoustic sensing have demonstrated the utility of using fiber-optic cable to detect seismic activity over comparable distances. In this article, we present the results of a study that quantifies the expansion in an area monitored for low-amplitude ground-motion events by augmenting existing point sensors with the internet fiber-optic cable infrastructure. Here we begin by describing our methodology, which utilizes geospatial data on point sensors and internet optical fiber deployed in metropolitan statistical areas (MSAs) in the United States. We extend these data to identify the area that can be monitored by (1) considering the observed seismic noise data in target locations, (2) applying the model from Wilson et al. (2021) to understand the potential coverage area gains using optical fiber sensing, and (3) optimizing the selection of fiber segments to maximize coverage and minimize deployment costs. We implement our methodology in ArcGIS to assess the additional area that can be monitored for low-amplitude ground-motion events (i.e., magnitude >0.5) by utilizing internet fiber-optic cables in the 100 most populous MSAs in the United States. We find that the addition of internet fiber-based sensors in MSAs would increase the area monitored on average by over an order of magnitude from 1% to 12%, if the subset of fiber cable segments that maximize coverage and minimize deployment costs is chosen even if only 20% of all fibers are used.

58 GEOSCIENCES↗

Innovative Technologies for Optical Detection of Stress Corrosion Cracks

Stress corrosion cracks (SCC) represent a major concern for the structural integrity of engineered metal structures. In hazardous or restricted-access environments, remote detection of corrosion or SCC frequently relies on visual methods; however, with standard VT-1 visual inspection techniques, probabilities of SCC detection are low. Here, we develop and evaluate an improved optical sensor for SCC in restricted access-environments by combining a robotically controlled camera/fiber-optic based probe with software-based super-resolution imaging (SRI) techniques to increase image quality and detection of SCC. SRI techniques combine multiple images taken at different viewing angles, locations, or rotations, to produce a single higher- resolution composite image. We have created and tested an imaging system and algorithms for combining optimized, controlled camera movements and super- resolution imaging, improving SCC detection probabilities, and potentially revolutionizing techniques for remote visual inspections of any type.

36 MATERIALS SCIENCE↗

Advanced Data Center Energy Opportunities: Cloud and Infrastructure CoP - Data Center Energy and Efficiency with AI Adoption

The NLR portion of the "Cloud & Infrastructure CoP - Data Center Energy and Efficiency with AI Adoption" web meeting will cover data center locations, energy use and load growth, best practices, performance metrics, transition to direct liquid cooled data center equipment, and NLR's approach to optimizing data center.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Fast Characterization of Inducible Regions of Atrial Fibrillation Models With Multi-Fidelity Gaussian Process Classification

Computational models of atrial fibrillation have successfully been used to predict optimal ablation sites. A critical step to assess the effect of an ablation pattern is to pace the model from different, potentially random, locations to determine whether arrhythmias can be induced in the atria. In this work, we propose to use multi-fidelity Gaussian process classification on Riemannian manifolds to efficiently determine the regions in the atria where arrhythmias are inducible. We build a probabilistic classifier that operates directly on the atrial surface. We take advantage of lower resolution models to explore the atrial surface and combine seamlessly with high-resolution models to identify regions of inducibility. We test our methodology in 9 different cases, with different levels of fibrosis and ablation treatments, totalling 1,800 high resolution and 900 low resolution simulations of atrial fibrillation. When trained with 40 samples, our multi-fidelity classifier that combines low and high resolution models, shows a balanced accuracy that is, on average, 5.7% higher than a nearest neighbor classifier. We hope that this new technique will allow faster and more precise clinical applications of computational models for atrial fibrillation. All data and code accompanying this manuscript will be made publicly available at: https://github.com/fsahli/AtrialMFclass.

59 BASIC BIOLOGICAL SCIENCES↗

Designing Dynamic Wireless Power Transfer Corridors for Heavy Duty Battery Electric Commercial Freight Vehicles

The use of wireless power transfer systems, consisting of inductive electrical coils on the vehicle and the power source may be designed for dynamic operations where the vehicle will absorb energy at highway speeds from transmitting coils in the road. This has the potential to reduce the onboard energy storage requirements for vehicles while enabling significantly longer missions. This paper presents an approach to architecting a dynamic wireless power transfer corridor for heavy duty battery electric commercial freight vehicles. By considering the interplay of roadway power capacity, roadway and vehicle coil coverage, seasonal road traffic loading, freight vehicle class and weight, vehicle mobility energy requirements, on-board battery chemistry, non-electrified roadway vehicle range requirements, grid capacity, substation locations, and variations in electricity costs, we minimize the vehicle TCO by architecting the electrified roadway and the vehicle battery simultaneously. The idea optimizes battery size and chemistry so that the depth of discharge between recharge events and expected life are balanced, thus fully utilizing the energy available throughout the course of the battery system's life. The approach is illustrated by applying it to the I-75 freight corridor, where the framework developed may be expanded and applied to a larger interstate system, expanded regional corridor, or other transportation network.

Sujan, Vivek↗

Enhancing Building Energy Efficiency through Advanced Sizing and Dispatch Methods for Energy Storage

Energy storage and electrification of buildings hold great potential for future decarbonization. However, there are several technical and economic barriers that prevent large-scale adoption and integration of energy storage in buildings. These barriers include integration with building control systems, high capital costs, and the necessity to identify and quantify value streams for different stakeholders. To overcome these obstacles, it is crucial to develop advanced sizing and dispatch methods to assist planning and operational decision-making for integrating energy storage in buildings. This work develops simple and flexible optimal sizing and dispatch framework for thermal energy storage (TES) and battery energy storage (BES) systems in large-scale office building. The optimal sizes of TES, BES, as well as other building assets are determined in a joint manner instead of sequentially to avoid sub-optimal solutions. The interaction between the sizing at the planning stage and hourly or sub-hourly dispatch at the operating stage is explicitly modeled. The solution is determined considering both capital costs in optimal sizing and operational benefits in optimal dispatch. Comprehensive assessments are performed using simulation studies to quantify potential energy, economic, and emission benefits by different utility tariffs and climate locations, to improve our understanding of the techno-economic performance of different TES and BES systems, and to identify barriers for adopting energy storage for buildings. Finally, the proposed framework will provide guidance to a broad range of stakeholders to properly design energy storage in buildings and maximizes potential benefits, thereby advancing affordable building energy storage deployment and helping us accelerating the transition towards a cleaner and more equitable energy economy.

Yu, Mingyung↗

Optimizing tuning masses for helicopter rotor blade vibration reduction including computed airloads and comparison with test data

The development and validation of an optimization procedure to systematically place tuning masses along a rotor blade span to minimize vibratory loads are described. The masses and their corresponding locations are the design variables that are manipulated to reduce the harmonics of hub shear for a four-bladed rotor system without adding a large mass penalty. The procedure incorporates a comprehensive helicopter analysis to calculate the airloads. Predicting changes in airloads due to changes in design variables is an important feature of this research. The procedure was applied to a one-sixth, Mach-scaled rotor blade model to place three masses and then again to place six masses. In both cases the added mass was able to achieve significant reductions in the hub shear. In addition, the procedure was applied to place a single mass of fixed value on a blade model to reduce the hub shear for three flight conditions. The analytical results were compared to experimental data from a wind tunnel test performed in the Langley Transonic Dynamics Tunnel. The correlation of the mass location was good and the trend of the mass location with respect to flight speed was predicted fairly well. However, it was noted that the analysis was not entirely successful at predicting the absolute magnitudes of the fixed system loads.

Pritchard, Jocelyn I.↗

Performance analysis of a GPS Interferometric attitude determination system for a gravity gradient stabilized spacecraft

The performance of an unaided attitude determination system based on GPS interferometry is examined using linear covariance analysis. The modelled system includes four GPS antennae onboard a gravity gradient stabilized spacecraft, specifically the Air Force's RADCAL satellite. The principal error sources are identified and modelled. The optimal system's sensitivities to these error sources are examined through an error budget and by varying system parameters. The effects of two satellite selection algorithms, Geometric and Attitude Dilution of Precision (GDOP and ADOP, respectively) are examined. The attitude performance of two optimal-suboptimal filters is also presented. Based on this analysis, the limiting factors in attitude accuracy are the knowledge of the relative antenna locations, the electrical path lengths from the antennae to the receiver, and the multipath environment. The performance of the system is found to be fairly insensitive to torque errors, orbital inclination, and the two satellite geometry figures-of-merit tested.

Stoll, John C.↗

The Effect of Interface Roughness and Oxide Film Thickness on the Inelastic Response of Thermal Barrier Coatings to Thermal Cycling

The effects of interfacial roughness and oxide film thickness on thermally-induced stresses in plasma-sprayed thermal barrier coatings subjected to thermal cycling are investigated using the recently developed higher-order theory for functionally graded materials. The higher-order theory is shown to be a viable alternative to the finite-element approach, capable of modeling different interfacial roughness architectures in the presence of an aluminum oxide layer and capturing the high stress gradients that occur at the top coat/bond coat interface. The oxide layer thickness is demonstrated to have a substantially greater effect on the evolution of residual stresses than local variations in interfacial roughness. Further, the location of delamination initiation in the top coat is predicted to change with increasing oxide layer thickness. This result can be used to optimize the thickness of a pre-oxidized layer introduced at the top coat/bond coat interface in order to enhance TBC durability as suggested by some researchers. The results of our investigation also support a recently proposed hypothesis regarding delamination initiation and propagation in the presence of an evolving bond coat oxidation, while pointing to the importance of interfacial roughness details and specimen geometry in modeling this phenomenon.

Pindera, Marek-Jerzy↗