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At least 235 records · Page 13

Editorial: Separations for Energy and Environmental Applications

Climate change and global environmental impacts are challenging humanity as a whole, and particularly the scientific community, to rethink our approaches towards energy harvesting, storage, and utilization, and to formulate processes geared to restoring compromised environments. A large task in these efforts involves developing technologies that have low or no carbon footprint, enable the use of renewable energy sources, and minimize or eliminate contamination of water resources and generation of untreatable waste.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Stakeholder Support for Wildlife Conservation Funding Policies

State wildlife management agencies in the United States have depended on a “user-pay” funding model for conservation efforts that relies on revenue from hunting license sales and a federal excise tax on firearms, ammunition, and archery equipment. Declines in hunting participation, however, jeopardize sustainability of the current funding model. Ensuring support among stakeholders for wildlife management and conservation may require expanding sources of funding and incorporating the perspectives and values of a diversifying constituency into decision making processes. We used a web-based survey of wildlife-associated recreationists in Michigan, USA to evaluate support for a range of conservation funding policies. Respondents self-identified primarily as hunters (n = 2,558) or wildlife watchers (n = 942). We used binary logistic regression to evaluate support for four conservation funding policy options: state sales tax, lottery proceeds, extractive industry revenue, and a user-based tax on outdoor gear (i.e., “backpack tax”). Determinants of support varied by type of policy and stakeholder characteristics. We found no statistically significant differences between hunters and wildlife watchers in their support for conservation funding policies when accounting for other variables such as wildlife value orientations, engagement in stewardship behaviors, age, and gender. The industry-based policy achieved the greatest level of approval, while the backpack tax had the lowest. Respondents were mixed in their support of the sales tax and lottery proceeds options. Cluster analysis revealed three homogenous groups related to conservation funding policies: “strong support,” “mixed/opposed,” and “anti-backpack tax.” Clusters differed in their support for conservation funding policies and on psychological and demographic variables. The “strong support” and “anti-backpack tax” groups differed in their levels of stewardship engagement, knowledge of conservation funding mechanisms, and support for the backpack tax option. The “mixed-opposed” group tended to be older, less educated, and less likely to be a member of a conservation organization. Results suggest support for conservation funding differs by policy type and social and psychological characteristics of stakeholders. Based on differences in policy support revealed in this study, we suggest a multi-tiered approach to funding conservation and building on support among wildlife stakeholders to mitigate the looming funding crisis for state wildlife agencies.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Critical Review of LPBF Metal Print Defects Detection: Roles of Selective Sensing Technology

The integrative potential of LPBF-printed parts for various innovative applications depends upon the robustness and infallibility of the part quality. Eliminating or sufficiently reducing factors contributing to the formation of defects is an integral step to achieving satisfiable part quality. Significant research efforts have been conducted to understand and quantify the triggers and origins of LPBF defects by investigating the material properties and process parameters for LPBF-printed geometries using various sensing technologies and techniques. Frequently, combinations of sensing techniques are applied to deepen the understanding of the investigated phenomena. The main objectives of this review are to cover the roles of selective sensing technologies by (1) providing a summary of LPBF metal print defects and their corresponding causes, (2) informing readers of the vast number and types of technologies and methodologies available to detect defects in LPBF-printed parts, and (3) equipping readers with publications geared towards defect detection using combinations of sensing technologies. Due to the large pool of developed sensing technology in the last few years for LPBF-printed parts that may be designed for targeting a specific defect in metal alloys, the article herein focuses on sensing technology that is common and applicable to most common defects and has been utilized in characterization for an extended period with proven efficiency and applicability to LPBF metal parts defect detection.

36 MATERIALS SCIENCE↗

Power Split Supercharging: A Mild Hybrid Approach to Boost Fuel Economy

This work investigates an innovative low-voltage (<60 V) hybrid device that enables engine boosting and downsizing in addition to mild hybrid functionalities such as regenerative braking, start-stop, and torque assist. A planetary gear set and a brake permit the power split supercharger (PSS) to share a 9 kW motor between supercharging the engine and direct torque supply to the crankshaft. In contrast, most e-boosting schemes use two separate motors for these two functionalities. This single motor structure restricts the PSS operation to only one of the supercharging or parallel hybrid modes; therefore, an optimized decision making strategy is necessary to select both the device mode and its power split ratio. An adaptive equivalent consumption minimization strategy (A-ECMS), which uses the battery state of charge (SoC) history to adjust the equivalence factor, is developed for energy management of the PSS. The A-ECMS effectiveness is compared against a dynamic programming (DP) solution with full drive cycle preview through hardware-in-the-loop experiments on an engine dynamometer testbed. The experiments show that the PSS with A-ECMS reduces vehicle fuel consumption by 18.4% over standard FTP75 cycle, compared to a baseline turbocharged engine, while global optimal DP solution decreases the fuel consumption by 22.8% compared to the baseline.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

A Component-Sizing Methodology for a Hybrid Electric Vehicle Using an Optimization Algorithm

Many leading companies in the automotive industry have been putting tremendous effort into developing new powertrains and technologies to make their products more energy efficient. Evaluating the fuel economy benefit of a new technology in specific powertrain systems is straightforward; and, in an early concept phase, obtaining a projection of energy efficiency benefits from new technologies is extremely useful. However, when carmakers consider new technology or powertrain configurations, they must deal with a trade-off problem involving factors such as energy efficiency and performance, because of the complexities of sizing a vehicle’s powertrain components, which directly affect its energy efficiency and dynamic performance. As powertrains of modern vehicles become more complicated, even more effort is required to design the size of each component. This study presents a component-sizing process based on the forward-looking vehicle simulator “Autonomie” and the optimization algorithm “POUNDERS”; the supervisory control strategy based on Pontryagin’s Minimum Principle (PMP) assures sufficient computational system efficiency. We tested the process by applying it to a single power-split hybrid electric vehicle to determine optimal values of gear ratios and each component size, where we defined the optimization problem as minimizing energy consumption when the vehicle’s dynamic performance is given as a performance constraint. The suggested sizing process will be helpful in determining optimal component sizes for vehicle powertrain to maximize fuel efficiency while dynamic performance is satisfied. Indeed, this process does not require the engineer’s intuition or rules based on heuristics required in the rule-based process.

33 ADVANCED PROPULSION SYSTEMS↗

Investigations into Balancing Peak-to-Average Power Ratio and Mean Power Extraction for a Two-Body Point-Absorber Wave Energy Converter

The power harnessed by wave energy converters (WECs) in oceans is highly variable and, therefore, has a high peak-to-average power (PTAP) ratio. To minimize the cost of a WEC power take off (PTO) system, it is desirable to reduce the PTAP ratio while maximizing the mean power extracted by WECs. The important issue of how PTAP ratio reduction measures (such as adding an inertia element) can affect the mean power extracted in a reference model has not been thoroughly addressed in the literature. To investigate this correlation, this study focuses on the integration of the U.S. Department of Energy’s Reference Model 3, a two-body point absorber, with a slider-crank WEC for linear-to-rotational conversion. In the first phase of this study, a full-scale numerical model was developed that predicts how PTO system parameters, along with an advanced control algorithm, can potentially affect the proposed WEC’s PTAP ratio as well as the mean power extracted. In the second phase, an appropriate scaled-down model was developed, and extracted power results were successfully validated against the full-scale model. Finally, numerical and hardware-in-the-loop (HIL) simulations based on the scaled-down model were designed and conducted to optimize or make trade-offs between the operational performance and PTAP ratio. The initial results with numerical and HIL simulations reveal that gear ratio, crank radius, and generator parameters substantially impact the PTAP ratio and mean power extracted.

16 TIDAL AND WAVE POWER↗

Predicting the Mechanical Response of Polyhydroxyalkanoate Biopolymers Using Molecular Dynamics Simulations

Polyhydroxyalkanoates (PHAs) have emerged as a promising class of biosynthesizable, biocompatible, and biodegradable polymers to replace petroleum-based plastics for addressing the global plastic pollution problem. Although PHAs offer a wide range of chemical diversity, the structure–property relationships in this class of polymers remain poorly established. In particular, the available experimental data on the mechanical properties is scarce. In this contribution, we have used molecular dynamics simulations employing a recently developed forcefield to predict chemical trends in mechanical properties of PHAs. Specifically, we make predictions for Young’s modulus, and yield stress for a wide range of PHAs that exhibit varying lengths of backbone and side chains as well as different side chain functional groups. Deformation simulations were performed at six different strain rates and six different temperatures to elucidate their influence on the mechanical properties. Our results indicate that Young’s modulus and yield stress decrease systematically with increase in the number of carbon atoms in the side chain as well as in the polymer backbone. In addition, we find that the mechanical properties were strongly correlated with the chemical nature of the functional group. The functional groups that enhance the interchain interactions lead to an enhancement in both the Young’s modulus and yield stress. Finally, we applied the developed methodology to study composition-dependence of the mechanical properties for a selected set of binary and ternary copolymers. Overall, our work not only provides insights into rational design rules for tailoring mechanical properties in PHAs, but also opens up avenues for future high throughput atomistic simulation studies geared towards identifying functional PHA polymer candidates for targeted applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Policy Innovation and Governance for Irrigation Sustainability in the Arid, Saline San Joaquin River Basin

This paper provides a chronology and overview of events and policy initiatives aimed at addressing irrigation sustainability issues in the San Joaquin River Basin (SJRB) of California. Although the SJRB was selected in this case study, many of the same resource management issues are being played out in arid, agricultural regions around the world. The first part of this paper provides an introduction to some of the early issues impacting the expansion of irrigated agriculture primarily on the west side of the San Joaquin Valley and the policy and capital investments that were used to address salinity impairments to the use of the San Joaquin River (SJR) as an irrigation water supply. Irrigated agriculture requires large quantities of water if it is to be sustained, as well as supply water of adequate quality for the crop being grown. The second part of the paper addresses these supply issues and a period of excessive groundwater pumping that resulted in widespread land subsidence. A joint federal and state policy response that resulted in the facilities to import Delta water provided a remedy that lasted almost 50 years until the Sustainable Groundwater Management Act of 2014 was passed in the legislature to address a recurrence of the same issue. The paper describes the current state of basin-scale simulation modeling that many areas, including California, are using to craft a future sustainable groundwater resource management policy. The third section of the paper deals with unique water quality issues that arose in connection with the selenium crisis at Kesterson Reservoir and the significant threats to irrigation sustainability on the west side of the San Joaquin Valley that followed. The eventual policy response to this crisis was incremental, spanning two decades of University of California-led research programs focused on finding permanent solutions to the salt and selenium contamination problems constraining irrigated agriculture, primarily on the west side. Arid-zone agricultural drainage-induced water quality problems are becoming more ubiquitous worldwide. One policy approach that found traction in California is an innovative variant on the traditional Total Maximum Daily Load (TMDL) approach to salinity regulation, which has features in common with a scheme in Australia’s Hunter River Basin. The paper describes the real-time salinity management (RTSM) concept, which is geared to improving coordination of west side agricultural and wetland exports of salt load with east side tributary reservoir release flows to improve compliance with river salinity objectives. RTSM is a concept that requires access to continuous flow and electrical conductivity data from sensor networks located along the San Joaquin River and its major tributaries and a simulation model-based decision support designed to make salt load assimilative capacity forecasts. Web-based information dissemination and data sharing innovations are described with an emphasis on experience with stakeholder engagement and participation. The last decade has seen wide-scale, global deployment of similar technologies for enhancing irrigation agriculture productivity and protecting environmental resources.

54 ENVIRONMENTAL SCIENCES↗

The AGORA High-resolution Galaxy Simulations Comparison Project. III. Cosmological Zoom-in Simulation of a Milky Way–mass Halo

In this work, we present a suite of high-resolution cosmological zoom-in simulations to z = 4 of a 10 12 M⊙ halo at z = 0, obtained using seven contemporary astrophysical simulation codes (Art-I, Enzo, Ramses, Changa, Gadget-3, Gear, and Gizmo) widely used in the numerical galaxy formation community. The physics prescriptions for gas cooling and heating and star formation are the same as the ones used in our previous Assembling Galaxies of Resolved Anatomy (AGORA) disk comparison but now account for the effects of cosmological processes such as the expansion of the universe, intergalactic gas inflow, and the cosmic ultraviolet background radiation emitted by massive stars and quasars. In this work, we introduce the most careful comparison yet of galaxy formation simulations run by different code groups, together with a series of four calibration steps each of which is designed to reduce the number of tunable simulation parameters adopted in the final run. In the first two steps, we methodically calibrate the gas physics, such as cooling and heating, in simulations without star formation. In the third step, we seek agreement on the total stellar mass produced with the common star formation prescription used in the AGORA disk comparison, in stellar-feedback-free simulations. In the last calibration step, we activate stellar feedback, where each code group is asked to set the feedback prescription to as close to the most widely used one in its code community as possible, while aiming for convergence in the stellar mass at z = 4 to the values predicted by semiempirical models. After all the participating code groups successfully complete the calibration steps, we achieve a suite of cosmological simulations with similar mass assembly histories down to z = 4. With numerical accuracy that resolves the internal structure of a target halo (≲100 physical pc at z = 4), we find that the codes overall agree well with one another, e.g., in gas and stellar properties, but also show differences, e.g., in circumgalactic medium (CGM) properties. We argue that, if adequately tested in accordance with our proposed calibration steps and common parameters, high-resolution cosmological zoom-in simulations can have robust and reproducible results. New code groups are invited to join and enrich this comparison by generating equivalent models or to test the code's compatibility on their own, by adopting the common initial conditions, the common easy-to-implement physics package, and the proposed calibration steps. Further analyses of the zoom-in simulations presented here will be presented in forthcoming reports from the AGORA Collaboration, including studies of the CGM, simulations by additional codes, and results at lower redshift.

79 ASTRONOMY AND ASTROPHYSICS↗

The AGORA High-resolution Galaxy Simulations Comparison Project. V. Satellite Galaxy Populations in a Cosmological Zoom-in Simulation of a Milky Way–Mass Halo

We analyze and compare the satellite halo populations at z ~ 2 in the high-resolution cosmological zoom-in simulations of a 10 12 M ⊙ target halo (z = 0 mass) carried out on eight widely used astrophysical simulation codes (Art-I, Enzo, Ramses, Changa, Gadget-3, Gear, Arepo-t, and Gizmo) for the AGORA High-resolution Galaxy Simulations Comparison Project. We use slightly different redshift epochs near z = 2 for each code (hereafter "z ~ 2") at which the eight simulations are in the same stage in the target halo's merger history. After identifying the matched pairs of halos between the CosmoRun simulations and the DMO simulations, we discover that each CosmoRun halo tends to be less massive than its DMO counterpart. When we consider only the halos containing stellar particles at z ~ 2, the number of satellite galaxies is significantly fewer than that of dark matter halos in all participating AGORA simulations and is comparable to the number of present-day satellites near the Milky Way or M31. The so-called "missing satellite problem" is fully resolved across all participating codes simply by implementing the common baryonic physics adopted in AGORA and the stellar feedback prescription commonly used in each code, with sufficient numerical resolution (≲100 proper pc at z = 2). We also compare other properties such as the stellar mass–halo mass relation and the mass–metallicity relation. Our work highlights the value of comparison studies such as AGORA, where outstanding problems in galaxy formation theory are studied simultaneously on multiple numerical platforms.

79 ASTRONOMY AND ASTROPHYSICS↗

The Nuclear Reaction Network WinNet

Abstract We present the state-of-the-art single-zone nuclear reaction network WinNet , which is capable of calculating the nucleosynthetic yields of a large variety of astrophysical environments and conditions. This ranges from the calculation of the primordial nucleosynthesis, where only a few nuclei are considered, to the ejecta of neutron star mergers with several thousands of involved nuclei. Here we describe the underlying physics and implementation details of the reaction network. We additionally present the numerical implementation of two different integration methods, the implicit Euler method and Gears method, along with their advantages and disadvantages. We furthermore describe basic example cases of thermodynamic conditions that we provide together with the network and demonstrate the reliability of the code by using simple test cases. With this publication, WinNet will be publicly available and open source at GitHub and Zenodo.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Engine-in-the-Loop Study of a Hierarchical Predictive Online Controller for Connected and Automated Heavy-Duty Vehicles

This paper presents a cohesive set of engine-in-the-loop (EIL) studies examining the use of hierarchical model-predictive control for fuel consumption minimization in a class-8 heavy-duty truck intended to be equipped with Level-1 connectivity/automation. This work is motivated by the potential of connected/automated vehicle technologies to reduce fuel consumption in both urban/suburban and highway scenarios. The authors begin by presenting a hierarchical model-predictive control scheme that optimizes multiple chassis and powertrain functionalities for fuel consumption. These functionalities include: vehicle routing, arrival/departure at signalized intersections, speed trajectory optimization, platooning, predictive optimal gear shifting, and engine demand torque shaping. The primary optimization goal is to minimize fuel consumption, but the hierarchical controller explicitly accounts for other key objectives/constraints, including operator comfort and safe inter-vehicle spacing. This work is experimentally experimentally validated via a sequence of EIL studies intended for evaluating the computational costs and fuel savings associated with these algorithms. These EIL studies involve the closed-loop validation of the proposed control strategies, both individually and combined. These studies show that this hierarchy of algorithms is capable of running online, with the round-trip communication delay inherent in EIL simulation being one of the key factors affecting the EIL results. Moreover, the EIL studies are encouraging, both in terms of the successful hierarchical integration of the underlying algorithms and also in the resulting fuel savings seen in the EIL tests. In particular, the EIL results suggest that an aggressive overall goal of reducing vehicle fuel consumption by 15-20% or more is potentially achievable, especially in urban/suburban scenarios.

33 ADVANCED PROPULSION SYSTEMS↗

Findings of the African Combustion Aerosol Collaborative Intercomparison Analysis (ACACIA) Pilot Project to Understand the Optical Properties of Biomass Burning Smoke

Africa is a critical source of biomass burning (BB) aerosols, and its importance is increasing. The African Combustion Aerosol Collaborative Intercomparison Analysis (ACACIA) Pilot Project set to optically characterize BB aerosol generated from sub-Saharan African fuels. We used a photoacoustic spectrometer as a reference instrument to determine the multiple-scattering correction factor C λ for an AE33 aethalometer at three wavelengths, which produced weighted mean values of C 370 =3.69, C 470 =5.65, and C 520 =6.39. C λ increased with wavelength and C 370 was statistically independent of the others, suggesting a single C λ is insufficient, especially in BB scenarios. While a dependence of C λ on burning state was not found, C λ was shown to strongly relate to particle single scattering albedo (SSA, ω). When Cλ was plotted against SSA, values slowly rose at low SSA values, followed by a sharp rise around an SSA of ∼ 0.9; indicating a larger correction needed for less absorbing aerosol. A number of functions operating on either SSA or C λ were explored and the best function was -C λ /(1-C λ )=Aω+B. This is an important parametrization of C λ specifically geared towards BB aerosol from African fuels under different aging states, and is of particular importance for future field work in that continent. An Ångström matrix plot shows that African BB aerosol can have values more akin to dust, which demonstrates that these fuels are distinct in their wavelength dependence from more typical BB aerosol. Lastly, we examined the mass extinction and absorbance cross sections for BB aerosol generated for the same fuels with two different tube furnace setups. Not only is this combustion method flexible, it was found to be reproducible between labs.

47 OTHER INSTRUMENTATION↗

Impacts of wind field characteristics and non-steady deterministic wind events on time-varying main-bearing loads

Abstract. This work considers the characteristics and drivers of the loads experienced by wind turbine main bearings. Simplified load response models of two different hub and main-bearing configurations are presented, representative of both inverting direct-drive and four-point-mounted geared drivetrains. The influences of deterministic wind field characteristics, such as wind speed, shear, yaw offset, and veer, on the bearing load patterns are then investigated for similarity scaled 5, 7.5, and 10 MW reference wind turbine models. Main-bearing load response in cases of deterministic gusts and extreme changes in wind direction are also considered for the 5 MW model. Perhaps surprisingly, veer is identified as an important driver of main-bearing load fluctuations. Upscaling results indicate that similar behaviour holds as turbines become larger, but with mean loads and load fluctuation levels increasing at least cubically with the turbine rotor radius. Strong links between turbine control and main-bearing load response are also observed.

17 WIND ENERGY↗

Sample Identifiers and Metadata to Support Data Management and Reuse in Multidisciplinary Ecosystem Sciences

Physical samples are foundational entities for research across biological, Earth, and environmental sciences. Data generated from sample-based analyses are not only the basis of individual studies, but can also be integrated with other data to answer new and broader-scale questions. Ecosystem studies increasingly rely on multidisciplinary team-science to study climate and environmental changes. While there are widely adopted conventions within certain domains to describe sample data, these have gaps when applied in a multidisciplinary context. In this study, we reviewed existing practices for identifying, characterizing, and linking related environmental samples. We then tested practicalities of assigning persistent identifiers to samples, with standardized metadata, in a pilot field test involving eight United States Department of Energy projects. Participants collected a variety of sample types, with analyses conducted across multiple facilities. We address terminology gaps for multidisciplinary research and make recommendations for assigning identifiers and metadata that supports sample tracking, integration, and reuse. Furthermore, our goal is to provide a practical approach to sample management, geared towards ecosystem scientists who contribute and reuse sample data.

54 ENVIRONMENTAL SCIENCES↗

Replication Data for: Deconstructing Chirality: Probing Local and Non-local Effects in Azobenzene Derivatives with X-ray Circular Dichroism

Resolving molecular chirality at the atomic scale remains a critical challenge in chemistry. Conventional Optical Circular Dichroism spectroscopy often overlooks subtle and localized structural features. Here, we computationally investigate site-specific X-ray Circular Dichroism (XCD) across a series of trans-azobenzene derivatives to deconstruct and interpret chiroptical signals at the atomic level. Our modeling reveals that XCD is capable of distinguishing dichroic contributions arising from both a local chiral center and global molecular twist, revealing their intricate interplay and potential for constructive or destructive interference. We show that sterically-induced global distortions can dominate the XCD signal in some cases, even suppressing the response from the chiral center itself. This insight suggests a new molecular design principle for tuning chiroptical activity, which we extend by proposing strategies to achieve unidirectional photoisomerization through steric gearing. Altogether, this work establishes a quantitative framework for engineering chiroptical responses, laying the foundation for the design of functional chiral systems utilizing principles of unidirectional molecular motor-like conformational dynamics.

Chemistry↗

Pitting resistant carbon coatings

A hydrogenated diamond-like coating (“H-DLC”) for metallic substrates provides improved reliability. The H-DLC is relatively soft and elastic. Unlike hard and/or inelastic coatings in the prior art, the present coatings do not exhibit a loss of adhesion (delamination). A bonding layer may be used between the metallic substrate and the H-DLC. H-DLC coatings can, for example, be used in bearings and gears to reduce the occurrence of micropits and, ultimately, product failure.

Erylimaz, Osman L.↗

Coupling system for reducing fatigue and dynamic amplification of loads in objects

A coupling system can include an energy transfer device and a load mitigation system. The energy transfer device can include a shaft, gear, chain or piston-cylinder arrangement to transfer the energy from a power supply to an object to be moved. The load mitigation system can be used to limit or prevent the transfer of forces from the object to the drive unit as a result of external loads being applied to the object. The load mitigation system can be pre-loaded such that external loads on the object having an excessive impulsive or resonant cyclic force greater than the pre-load force on the load mitigation system are reduced and only partially transferred to the energy transfer device and power supply. The load mitigation system can dampen both resonant loads and impulsive impact loads occurring at the object thereby preventing damage and extending life.

Blackmon, James B.↗