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At least 1,567 records · Page 87

Towards a nonperturbative construction of the S-matrix

We present a nonperturbative recipe for directly computing the S-matrix in strongly-coupled QFTs. The method makes use of spectral data obtained in a Hamiltonian framework and can be applied to a wide range of theories, including potentially QCD. We demonstrate the utility of this prescription in the specific example of the 2+1d O(N) model at large N, using energy eigenstates computed with Hamiltonian truncation to reproduce the full 2 → 2 scattering amplitude for arbitrary (complex) center-of-mass energy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Earth mover’s distance as a measure of CP violation

We introduce a new unbinned two sample test statistic sensitive to CP violation utilizing the optimal transport plan associated with the Wasserstein (earth mover’s) distance. The efficacy of the test statistic is shown via two examples of CP asymmetric distributions with varying sample sizes: the Dalitz distributions of B 0 → K + π – π 0 and of D 0 → π + π – π 0 decays. The windowed version of the Wasserstein distance test statistic is shown to have comparable sensitivity to CP violation as the commonly used energy test statistic, but also retains information about the localized distributions of CP asymmetry over the Dalitz plot. For large statistic datasets we introduce two modified Wasserstein distance based test statistics — the binned and the sliced Wasserstein distance statistics, which show comparable sensitivity to CP violation, but improved computing time and memory scalings. Finally, general extensions and applications of the introduced statistics are discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A Local Macroscopic Conservative (LoMaC) Low Rank Tensor Method for the Vlasov Dynamics

Abstract In this paper, we propose a novel Local Macroscopic Conservative (LoMaC) low rank tensor method for simulating the Vlasov-Poisson (VP) system. The LoMaC property refers to the exact local conservation of macroscopic mass, momentum and energy at the discrete level. This is a follow-up work of our previous development of a conservative low rank tensor approach for Vlasov dynamics ( arXiv:2201.10397 ). In that work, we applied a low rank tensor method with a conservative singular value decomposition to the high dimensional VP system to mitigate the curse of dimensionality, while maintaining the local conservation of mass and momentum. However, energy conservation is not guaranteed, which is a critical property to avoid unphysical plasma self-heating or cooling. The new ingredient in the LoMaC low rank tensor algorithm is that we simultaneously evolve the macroscopic conservation laws of mass, momentum and energy using a flux-difference form with kinetic flux vector splitting; then the LoMaC property is realized by projecting the low rank kinetic solution onto a subspace that shares the same macroscopic observables by a conservative orthogonal projection. The algorithm is extended to the high dimensional problems by hierarchical Tuck decomposition of solution tensors and a corresponding conservative projection algorithm. Extensive numerical tests on the VP system are showcased for the algorithm’s efficacy.

Guo, Wei↗

Propagation of Spin Waves Through an Interface Between Ferromagnetic and Antiferromagnetic Materials

Boundary conditions for order parameters at an interface between ferromagnetic (FM) and two-sublattice antiferromagnetic (AFM) materials are obtained in the continuous medium approximation similarly to the approach which allows one to take into account the finite thickness of the FM/FM interface, which is much less than spin wavelength. Three order parameters are considered inside an interface of finite thickness with the magnetization M of FM, magnetizations of both sublattices M{sub 1} and M{sub 2} of AFM. The uniform and non-uniform exchange between all order parameters are taken into account to the interface energy. Using these boundary conditions, the excitation of a surface evanescent spin wave is considered in AFM when the spin wave in FM falls onto this interface. The coefficients and the phases of transmission and reflection of spin wave through the FM/AFM interface are derived.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Controlled workplace charging of electric vehicles: The impact of rate schedules on transformer aging

To accelerate adoption of non-residential charging for electric vehicles, sites must maximize utilization of existing electrical infrastructure. In this study we model electric vehicle charging at a workplace using real charging data and evaluate the lifetime of the site’s transformer as the number of charging stations is incrementally increased. We implement and compare a range of control schemes for workplace charging including minimizing the peak load, capping the total load, minimizing bills under different rate structures with time-of-use energy costs and demand charges, and directly minimizing the transformer’s aging. These are compared by the number of vehicles they allow the transformer to support, the transformer’s health, and the operator’s electricity bill. We draw a connection between minimizing the peak load and improving the transformer’s health. We observe that minimizing the electricity bill is the best scheme by both criteria when the bill includes a demand charge; in our experiment it allowed the infrastructure to support over 67% more cars than under uncontrolled charging. To protect the transformer we recommend that demand charges or capacity management be applied to parking lots of charging electric vehicles with high infrastructure utilization, and operators schedule charging to minimize their electricity bills.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A workflow for automatic generation and efficient refinement of individual pressure-dependent networks

Manual chemical kinetic model construction often requires modelists to at least implicitly guess all possible decay pathways and their relative fluxes for all important species. We present a workflow and associated tool for automatic generation and re finement of pressure-dependent networks that should enable modelists to efficiently and comprehensively identify decay pathways and estimate respective parameters for chemical species. This tool combines the capabilities of the Reaction Mechanism Generator (RMG) software to generate possible reaction paths, determine thermochemistry, approximate rate coefficients and estimate frequencies with the capabilities of the Arkane software to use quantum chemical parameters to compute thermochemistry and pressure dependent rates. A flux-based algorithm is used to decide which isomers to add to the network. Isomers added to the network are reacted to form other channels. When enough of the flux is accounted for by the isomers and bimolecular product channels, the generation process terminates to yield a comprehensive network. Network sensitivity analysis is applied to the network to identify the most important wells and barriers that can be refined using quantum chemistry calculations. Iterative refinement can then be used to achieve accuracy. The comprehensive network can be easily reduced using energy and flux-based algorithms to the most important channels and isomers in the network.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Thermal and mechanical performance of gypsum composites containing fly ash cenosphere encapsulated phase change materials

Utilizing phase change materials (PCMs) within construction materials improves the thermal energy storage capabilities in the built environment. Notably, integrating PCMs into drywalls presents a promising avenue to reduce building energy use. However, incorporating PCMs into drywalls poses challenges, particularly reduced mechanical properties and workability limitations as it can adversely affect the hardening and cohesiveness of gypsum composites. To address these challenges, this study explores a novel strategy to incorporate PCMs into gypsum composites through fly ash cenosphere-encapsulated PCM, namely CenoPCM, aiming to enhance the mechanical properties and thermal conductivity over existing commercial counterparts. An experimental program was conducted to study the impact of the inclusion of CenoPCM on the mechanical and thermal performance of gypsum composites, and the results were compared to those of commercially available polymerencapsulated PCM benchmark (Micronal). The findings highlighted that PCM-charged samples exhibited up to 95.90 J/g (CenoPCM) of latent heat with 70 % CenoPCM loading. The results of mechanical tests also showed that CenoPCM outperformed its polymer-encapsulated counterpart, achieving 55 % higher mechanical strength on average. Here, this improvement is attributed to the rigid shell of fly ash cenosphere (FAC) serving as a PCM carrier, providing a skeleton-like structure to gypsum composites for higher load-bearing capacity. Additionally, hotbox tests demonstrated that the CenoPCM-charged wall panels yielded a 20 % higher thermal conductivity and a 22 % increased time lag compared to Micronal PCM-charged panels, indicating its potential to shift the peak load in buildings.

Ceno PCM↗

From models to reality: a systematic review on simulated and measured residential heat pump energy savings

High-performance HVAC solutions are central to residential energy management. A substantial share of these are electric, reversible-cycle systems, with heat pumps representing the largest portion of current and near-term adoption. This review synthesizes peer-reviewed and grey literature on residential space heating and cooling heat pumps. The academic literature is dominated by modeling (73.8%), with limited field measurement (13.1%). Grey literature from United States serve as a supplemental resource providing measured savings. Conversions from electric-resistance heating consistently show the largest site energy reductions, while oil/propane baselines yield moderate savings, and gas baseline scenario often deliver small and region-dependent savings. This study cross-checks the grey literature measured data with simulation data filtered from the ResStock dataset. The comparison indicates a discrepancy between simulations and measured data: simulated site EUIs are typically lower than measured EUIs, but percentage energy savings fall in similar ranges, implying simulations capture directional effects while underestimating energy use. Factors associated with variability and model–measurement differences include system characterization and control representation (e.g., backup heat engagement, thermostat/setpoint strategies, commissioning/installation quality), occupant behavior, weather normalization, metering scope, and envelope characterization. This paper also outlines the proposed methodology for comparing simulation and measured data for heat pumps. It emphasizes the metrics used for comparison and units harmonization, building characteristics matching, and compact metadata are needed for simulations to match measured data. The proposed methodology is expected to improve the credibility of simulated savings as measured evidence grows.

Yu, Lili↗

Metallic Technetium Sequestration in Nickel Core/Shell Microstructure during Fe(OH)2 Transformation with Ni doping

This study investigates the impacts of Ni doping on technetium-99 (Tc) sequestration in aqueous solutions through transformation of Fe(OH)2(s) to iron spinel (magnetite) under alkaline conditions. Extensive solid characterization was performed for the mineral phases produced, as well as the Tc/Ni speciation and distribution within these phases. X-ray diffraction results show that iron spinel was the dominant mineral product without detectable Ni incorporation. The doped Ni ions mainly precipitated as fine Fe/Ni oxide/hydroxide particles, including strongly reduced nanometer?sized spheroidal Ni-rich and metallic Ni phases. High-resolution analytical scanning transmission electron microscopy using energy dispersive X-ray spectroscopy and electron energy loss spectroscopy on the produced solid samples (focused ion beam-prepared specimens) revealed three Tc distribution domains dominated by nanocrystals and, especially, a Tc-rich metallic phase. Instances of metallic Tc were specifically found in spheroidal, Ni-rich and metallic nanoparticles exhibiting a core/shell microstructure that suggests strong reduction and sequential precipitation of Ni-Tc-Ni. Mass balance analysis showed nearly 100% Tc removal from the 4.8 × 10-4 M Tc solutions. The finding of the metallic Tc encapsulation indicates that Tc sequestration through Ni-doped Fe(OH)2(s)?to?iron spinel transformation process likely provides an alternative treatment pathway for Tc removal and could be combined into further waste treatment approaches.

Wang, Guohui↗

Generalizability analysis of tool condition monitoring ensemble machine learning models

Tool condition monitoring (TCM) is an essential research area for the optimization and automation of metal machining processes, and could help manufacturers reduce costs, production time, machine downtime, energy use, and part scrappage. However, TCM systems developed in prior studies have struggled to reach the high level of generalizability which is necessary for industrial applications. This study addresses TCM system generalizability to new machining conditions, how variations in machining and environmental conditions may be used to improve model generalizability, and ensemble machine learning techniques for TCM. Further, milling tool life experiments were conducted using various machining conditions, and the processes' sound, spindle power, and axial load signals were collected. Different machine learning models were evaluated for the prediction of tool wear levels, including four individual models and five ensemble models. Changes in cutting speed were found to display a large effect on model performance, while the chip load showed some effect, and the feed rate had little effect. A simulated noise data augmentation technique for model improvement is applied within TCM for the first time, and resulted in increased model generalizability and reduced overfitting. Across several performance metrics the extremely randomized trees ensemble machine learning model generally performed the best for this application, achieving a leave-one-group-out cross validation accuracy score of 92.4 %, a 10-fold cross validation score of 98.9 %, and an averaged accuracy across 11 generalizability tests of 87.3 %.

42 ENGINEERING↗

Oil price states and drivers: An analysis of the second-month spot-futures price differential

Oil remains a dominant component of global energy use, and its price, characterized by frequent changes and an ever-present potential for large swings, continues to be a focus of industry participants, policymakers and analysts attention. Here, this study examines the behavior of future spot oil prices using a continuous-time hidden Markov model (HMM) and daily price data spanning years 2007 to 2024. We identify six states in the second-month WTI spot-futures price differential and assess the roles of eleven futures price, quantity, financial market, and geopolitical/volatility variables in each state. The model yields several insights into the workings of the oil market and the relative roles of these drivers. We find support for several theoretical and empirical findings in the oil market literature, including the role of inventory, volatility/risk, and market responses to contango/backwardation in futures markets. A novel finding is that “normal contango” conditions represent a significant portion of next-day states in our in-sample data. Under the most volatile normal contango state, many of the oil market drivers differ markedly in coefficient signs and magnitudes from those in other states. The resulting model also performed well out-of-sample and would, in addition to understanding the impact of market drivers, be useful for short-term forecasting. Overall, the findings highlight the highly non-linear, regime-dependent interactions of the oil price and its drivers, emphasizing the importance of detailed information to market stakeholders.

Oladosu, Gbadebo A. [Oak Ridge National Laboratory↗

COVID-19 pandemic underscores role of green space in urban carbon dynamics

For Detroit Michigan the arrival of COVID-19 led to intensive measures to prevent further spread of the virus resulting in consequent changes in traffic and energy use. Here, we take advantage of these different emission scenarios to explore CO 2 dynamics in a postindustrial city with a declining population and increasing green space. We present atmospheric CO 2 concentration and net urban ecosystem exchange of CO 2 (NUE) from a typical eddy covariance system and canopy greenness from a field camera on the Wayne State University campus in midtown Detroit. We categorized our study period (January 18, 2020–July 31, 2020) into three subperiods associated with the state-wide shelter-in-place order. Our results support that the city was a net carbon source throughout the period, particularly during the shelter-in-place period, although reduced traffic lowered CO 2 concentrations and NUE. However, during the post-order period when traffic was highest, atmospheric CO 2 concentrations and NUE were lowest, suggesting that the greening of urban vegetation may have greater carbon mitigation potential than lowering anthropogenic carbon emissions through traffic reductions.

54 ENVIRONMENTAL SCIENCES↗

LIGHT DUTY VEHICLE CHOICE MODELS EXAMINING ALTERNATIVE FUEL TECHNOLOGY PREFERENCES AMONG COMMERCIAL FLEET OWNERS

Agent-based transportation models are critical tool for evaluating energy use, emissions and mobility impacts of transportation. In this context, vehicle ownership models are critical for linking agent activities to their impacts on the transportation system. However, no agent-based freight transportation models to date has been developed that predicts the fuel technology that is preferred by establishments when purchasing a Light Duty Vehicle (LDV) for business purposes. This research addresses this gap by using recently collected survey data to estimate a discrete choice model that can be applied in the agent-based context.

commercial↗

Recurrence analysis of friction based dry-couplant ultrasonic Lamb waves in plate-like structures

Here, in this study, the effect of friction on the generation of dry-coupled Lamb waves is experimentally investigated. Recurrence analysis is performed to analyze the complex behavior of friction based dry-coupled Lamb waves. In particular, the effect of the normal force, which is necessary for a stronger dry-coupled Lamb wave generation and the friction, on the transmission of mechanical energy and determinism characteristics of Lamb waves are investigated. The results verify that larger friction coefficient and friction force are crucial for generation and propagation of strong Lamb waves supporting the fact that the main mechanism to transfer mechanical energy using dry-couplant is friction. The sensitivity of Lamb waves to the friction coefficient, highlights the importance of designing specific pads with respect to condition of the surface. Besides, the results show that the normal force and friction coefficient can change the determinism characteristics behavior of multimode Lamb waves. Furthermore, it is shown that the determinism value is sensitive to the friction coefficient and normal force. A similar trend is observed in the determinism values and friction coefficient. In general, a smaller friction coefficient indicates smaller determinism value. Additionally, it is shown that a normal load can change the behavior of a system, as observed from recurrence plots, owing to changes in the Lamb waves trajectories in the phase-space domain. In addition, it is shown that recurrence plots enable the detection of mode transitions in multimode Lamb waves. Recurrence analysis is a complementary tool to frequency domain methods for accurate analysis of multimode Lamb waves behavior.

42 ENGINEERING↗

Chemistry of Materials Underpinning Photoelectrochemical Solar Fuel Production

Since its inception, photoelectrochemistry has sought to power the generation of fuels, particularly hydrogen, using energy from sunlight. Efficient and durable photoelectrodes, however, remain elusive. Here we review the current state of the art, focusing our discussion on advances in photoelectrodes made in the past decade. We open by briefly discussing fundamental photoelectrochemical concepts and implications for photoelectrode function. We next review a broad range of semiconductor photoelectrodes broken down by material class (oxides, nitrides, chalcogenides, and mature photovoltaic semiconductors), identifying intrinsic properties and discussing their influence on performance. We then identify innovative in situ and operando techniques to directly probe the photoelectrode|electrolyte interface, enabling direct assessment of structure–property relationships for catalytic surfaces in active reaction environments. We close by considering more complex photoelectrochemical fuel-forming reactions (carbon dioxide and nitrogen reduction, as well as alternative oxidation reactions), where product selectivity imposes additional criteria on electrochemical driving force and photoelectrode architecture. By contextualizing recent literature within a fundamental framework, we seek to provide direction for continued progress toward achieving efficient and stable fuel-forming photoelectrodes.

08 HYDROGEN↗

Interfacial and Confinement-Mediated Organization of Gas Hydrates, Water, Organic Fluids, and Nanoparticles for the Utilization of Subsurface Energy and Geological Resources

Harnessing the subsurface geologic environments in an efficient and environmentally sustainable manner is challenged by uncertainties associated with predicting the fate of fluids and sustaining porosity and permeability in subsurface geologic environments. Some of these uncertainties arise from confined and interfacially induced structures of fluids in subsurface geologic environments. The formation of gas hydrates, phase transitions of confined fluids, assembly and deposition of heavy hydrocarbons, and the agglomeration and fate of nanoparticles in confined environments are summarized in this review. Nanoscale confinement contributes to anisotropic structures and dynamics of fluids, which is the basis for anomalous phase transition thermodynamics, reactivity, transport, and geomechanical behavior. In this review, we discuss the structures of confined fluids and deviation in observed properties from bulk fluids. The factors influencing the structures of confined fluids can be generally divided into two groups: (a) pore characteristics including pore size, pore surface chemistry, and pore geometry and (b) confined fluid/solid characteristics such as molecular structure, concentrations, charges, pore filling, and presence of additives. Scientific advancements and knowledge gaps in our understanding of the structures of confined fluids and the associated differences in observed properties compared to bulk fluids are discussed. Here, the phenomena discussed in this review are of particular relevance to our efforts in harnessing the subsurface environments for a low carbon future by increasing the utilization of geothermal energy, using CO 2 as a working fluid, and storing CO 2 in subsurface geologic environments.

42 ENGINEERING↗

Well-to-Wheels Analysis of Zero-Emission Plug-In Battery Electric Vehicle Technology for Medium- and Heavy-Duty Trucks

Conventional diesel medium- and heavy-duty vehicles (MHDVs) create large amount of air emissions. With the advancement in technology and reduction in the cost of batteries, plug-in battery electric vehicles (BEVs) are increasingly attractive options for improving energy efficiency and reducing air emissions of MHDVs. In this paper, we compared the well-to-wheels (WTW) greenhouse gases (GHGs) and criteria air pollutant emissions of MHD BEVs with their conventional diesel counterparts across weight classes and vocations. We expanded the Greenhouse gases, Regulated Emissions, and Energy use in Technologies (GREET) model to conduct the WTW analysis of MHDVs. The fuel economy for a wide range of MHDV weight classes and vocations, over various driving cycles, was evaluated using a high-fidelity vehicle dynamic simulation software (Autonomie). The environmental impacts of MHD BEVs are sensitive to the source of electricity used to recharge their batteries. The WTW results show that MHD BEVs significantly improve environmental sustainability of MHDVs by providing deep reductions in WTW GHGs, nitrogen oxides, volatile organic compounds, and carbon monoxide emissions, compared to conventional diesel counterparts. Increasing shares of renewable and natural gas technologies in future national and regional electricity generation are expected to reduce WTW particulate matters and sulfur oxide emissions for further improvement of the environmental performance of MHD BEVs.

33 ADVANCED PROPULSION SYSTEMS↗

Biofuel Options for Marine Applications: Technoeconomic and Life-Cycle Analyses

This study performed technoeconomic and life-cycle analyses to assess the economic feasibility and emission benefits and tradeoffs of various biofuel production pathways as an alternative to conventional marine fuels. We analyzed production pathways for (1) Fischer-Tropsch diesel from biomass and cofeeding biomass with natural gas or coal, (2) renewable diesel via hydroprocessed esters and fatty acids from yellow grease and cofeeding yellow grease with heavy oil, and (3) bio-oil via fast pyrolysis of low-ash woody feedstock. We also developed a new version of the Greenhouse gases, Regulated Emissions, and Energy use in Transportation (GREET) marine fuel module for the estimation of life-cycle greenhouse gas (GHG) and criteria air pollutant (CAP) emissions of conventional and biobased marine fuels. The alternative fuels considered have a minimum fuel selling price between 2.36 and 4.58 $/heavy fuel oil gallon equivalent (HFOGE), and all exhibit improved life-cycle GHG emissions compared to heavy fuel oil (HFO), with reductions ranging from 40 to 93%. The alternative fuels also exhibit reductions in sulfur oxides and particulate matter emissions. Additionally, when compared with marine gas oil and liquified natural gas, they perform favorably across most emission categories except for cases where carbon and sulfur emissions are increased by the cofed fossil feedstocks. The pyrolysis bio-oil offers the most promising marginal CO2 abatement cost at less than $100/tonne CO2e for HFO prices >$1.09/HFOGE followed by Fischer-Tropsch diesel from biomass and natural gas pathways, which fall below $100/tonne CO2e for HFO prices >$2.25/HFOGE. Pathways that cofeed fossil feedstocks with biomass do not perform as well for marginal CO2 abatement cost, particularly at low HFO prices. This study indicates that biofuels could be a cost-effective means of reducing GHG, sulfur oxide, and particulate matter emissions from the maritime shipping industry and that cofeeding biomass with natural gas could be a practical approach to smooth a transition to biofuels by reducing alternative fuel costs while still lowering GHG emissions, although marginal CO2 abatement costs are less favorable for the fossil cofeed pathways.

Greenhouse gas, life cycle assessment, techno-econ↗