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At least 469 records · Page 26

A Comparison of Genetic Programming Variants for Hyper-Heuristics

Modern society is faced with ever more complex problems, many of which can be formulated as generate-and-test optimization problems. General-purpose optimization algorithms are not well suited for real-world scenarios where many instances of the same problem class need to be repeatedly and efficiently solved, such as routing vehicles over highways with constantly changing traffic flows, because they are not targeted to a particular scenario. Hyper-heuristics automate the design of algorithms to create a custom algorithm for a particular scenario. Hyper-heuristics typically employ Genetic Programming (GP) and this project has investigated the relationship between the choice of GP and performance in Hyper-heuristics. Results are presented demonstrating the existence of problems for which there is a statistically significant performance differential between the use of different types of GP.

97 MATHEMATICS AND COMPUTING↗

Impacts and emerging research opportunities in Vehicle-Grid Integration for transportation: A review

This review provides a comprehensive examination of Vehicle-Grid Integration (VGI) technologies and their impacts on transportation systems, with a particular emphasis on the transportation-energy nexus. It systematically explores how VGI affects key transportation applications such as charging infrastructure planning, electric vehicle (EV) routing, smart charging coordination, shared mobility, and dynamic pricing. By synthesizing recent literature from both transportation and energy systems perspectives, this study highlights how advanced methodologies, such as reinforcement learning, game theory, and optimization techniques, are used to model the complex interactions between EVs, mobility patterns, and distributed energy systems. Furthermore, the review also identifies critical challenges, including behavioral factors, data limitations, and system scalability. Drawing on these insights, the paper outlines emerging research opportunities to support the design of integrated, resilient, and user-centric VGI solutions that advance sustainable mobility and energy system efficiency.

Charging coordination↗

Reduction of scattering using thin all-dielectric shells designed by stochastic optimizer

Adaptive differential evolution method has been used for optimization of all-dielectric multilayer coatings in order to reduce total scattering from spherical targets. The optimal refractive index profiles have been found for various sizes of targets and thicknesses of coatings. Few profile types that appear to be optimal for various geometrical parameters have been identified. Scattering of the target with diameter of 0.75 λ has been reduced by 85% using 0.16 λ thick coating formed by isotropic dielectric materials. For larger targets, scattering reduction becomes smaller, but it still reaches 50% for targets with the diameter of 1.5 λ. The obtained designs provide a route to implement cloaking without the use of magnetic and anisotropic metamaterials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Cyber risk assessment and investment optimization using game theory and ML-based anomaly detection and mitigation for wide-area control in smart grids

The electric power grid is increasingly becoming susceptible to cyber attacks that exploit vulnerabilities in the smart grid control, information, and physical layers. Successful cyber attacks can have catastrophic impacts on the social and economic well-being of any nation all over the globe. It has, thus, become imperative to secure the smart grid against such adversarial actions to ensure stable, secure, and reliable operation of the grid. The existing research and industry practices prove to be inadequate in terms of providing pragmatic and effective defense methodologies and measures for long-term cybersecurity planning and real-time cybersecurity for grid operation. For example, existing works lack models that incorporate uncertain behavior of cyber-attackers and pragmatic defense measures for cyber risk assessment and cybersecurity investment optimization which often provide unreliable and strictly qualitative solutions to these problems. At the same time, with the growing number of cyber incidents in the grid, there still exists a need to develop attack-resilient algorithms for wide-area monitoring, protection, and control (WAMPAC) applications like the wide-area voltage control systems (WAVCS) for Flexible AC Transmissions Systems (FACTS) that lack in scalable and feasible solutions from the cybersecurity perspective. This dissertation proposes novel models and methodologies for: (1) Cybersecurity planning, and (2) Cybersecurity for system operation. The cybersecurity planning is achieved through cyber risk assessment and cybersecurity resource investment optimization for long-term cybersecurity of the grid using game theory and attack-defense trees. Cybersecurity for system operation consists of development of cyber anomaly detection and mitigation algorithms for flexible AC transmission system (FACTS) controller-based wide-area voltage control systems (WAVCS) using machine learning (ML), and software defined networking-based moving target defense network routing for achieving real-time cyber-physical security for grid operations. This is followed by hardware-in-the-loop (HIL) implementation and evaluation of these attack prevention, detection, and mitigation algorithms and methodologies showcasing their feasibility in a close to real-world environment. For cybersecurity planning, a novel approach involving a combination of game theory and attack defense trees (ADT) for optimal cybersecurity resource allocation in the smart grid is proposed. This methodology involves modeling of the cyber-physical smart grid substations as ADTs, defining attacker costs, defense costs, and attack probabilities for attack access points. Using game theoretical formulation, optimal defense strategies for the defender of the system to invest cybersecurity resources in the grid are obtained. Additionally, a game-theoretic framework is developed for quantitative cyber-physical risk assessment of the grid under a dynamically changing cyber threat space and uncertain behavior of cyber attackers which is further used to optimize investments in the smart grid's cybersecurity resources. The attacker, defender, and the smart grid system are modeled while incorporating attacker-stochasticity and federal guidelines for smart grid cybersecurity. This allows quantification of threat, vulnerabilities, and attack impact of the grid for quantitative risk assessment. The defender's budget to invest in the security resources in the grid is optimized based on the strategies leading to minimum system risk. The evaluation of the proposed solutions highlight the feasibility for practical implementation of these methodologies and algorithms in the smart grid, while taking the federal requirements and guidelines for smart grid security into consideration. For achieving cybersecurity for system operation, attack prevention, detection, and mitigation algorithms and methodologies are developed specifically for FACTS-based WAVCS. Anomaly detection and mitigation in the WAVCS are achieved using algorithms based on machine learning which involves offline training and testing of ML models with CPS datasets incorporating physics-based features that allow accurate distinction between system faults and cyber attacks. For attack prevention, a methodology based on software defined network (SDN)-based moving target defense (MTD) network routing is proposed that enables prevention of Denial of Service (DoS) type attacks on the smart grid communication system. Subsequently, these methodologies and algorithms are implemented and evaluated on an HIL testbed that allows for real-time attack prevention, detection, and mitigation of emulated cyber attacks on the WAVCS in a close to real-world environment. The results show highly accurate and efficient performance of the implemented algorithms and methodologies with the smart grid system operating within the NERC's system operation limits even in the presence of DoS and data integrity cyber attacks. This work opens up future research opportunities in other directions such as (1) Expanding cybersecurity planning methodologies to real-time cyber contingency analysis with different game formulations; and (2) Applying the cybersecurity for system operation algorithms to broader categories of wide-area control applications.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Electronically Coupled 2D Polymer/MoS 2 Heterostructures

Emergent quantum phenomena in electronically coupled two-dimensional heterostructures are central to next-generation optical, electronic, and quantum information applications. Tailoring electronic band gaps in coupled heterostructures would permit control of such phenomena and is the subject of significant research interest. Two-dimensional polymers (2DPs) offer a compelling route to tailored band structures through the selection of molecular constituents. However, despite the promise of synthetic flexibility and electronic design, fabrication of 2DPs that form electronically coupled 2D heterostructures remains an outstanding challenge. Here, we report the rational design and optimized synthesis of electronically coupled semiconducting 2DP/2D transition metal dichalcogenide van der Waals heterostructures, demonstrate direct exfoliation of the highly crystalline and oriented 2DP films down to a few nanometers, and present the first thickness-dependent study of 2DP/MoS 2 heterostructures. In this work, control over the 2DP layers reveals enhancement of the 2DP photoluminescence by two orders of magnitude in ultrathin sheets and an unexpected thickness-dependent modulation of the ultrafast excited state dynamics in the 2DP/MoS 2 heterostructure. These results provide fundamental insight into the electronic structure of 2DPs and present a route to tune emergent quantum phenomena in 2DP hybrid van der Waals heterostructures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Parametric Optimization of Nanostructured Alumina Forming Austenitic Alloys

Alumina-forming austenitic (AFA) alloys provide excellent oxidation resistance through the formation of a stable alumina scale, but their relatively high Ni content might limit application in core structural components because of helium generation and swelling under irradiation. Increasing the density of nanoscale features in the microstructure is a promising route to improve sink strength and mitigate these effects. Conventional oxide dispersion–strengthened (ODS) steels achieve this through mechanical alloying (MA), but the approach is costly and difficult to scale. In this milestone, additive manufacturing was applied as an alternative pathway to fabricate nanostructured AFA (NAFA) alloys with dual precipitation of oxides and nitrides enabled by reactive atmosphere processing. In FY25, two compositions, NAFA-1 (AFA-05) and NAFA-2, were produced and compared. Both alloys achieved densities above 99% of theoretical values, but NAFA-2 exhibited microcracking associated with Nb-rich intermetallic formation, indicating the need for further chemistry optimization. Nitrogen and oxygen uptake was confirmed on selected builds, demonstrating the intended dual-precipitate dispersion. Mechanical testing showed that AM-processed NAFA alloys exceed conventionally produced ODS steels in high-temperature tensile strength and fracture toughness. Preliminary Cu ion irradiation results further suggest improved resistance compared to wrought austenitic alloys. While the current alloys are promising for their compatibility in high-temperature air or liquid Pb environments, modifications to composition will be required for long-term operation in high-temperature impure sodium systems. Future work will focus on refining alloy chemistry to suppress laser powder bed fusion–induced cracking and scaling production to reactor-relevant dimensions using directed energy deposition as a pathway toward net-shape cladding fabrication.

36 MATERIALS SCIENCE↗

Suppressing Structural Relaxation in Nanoscale Antimony to Enable Ultralow‐Drift Phase‐Change Memory Applications

Abstract Phase‐change random‐access memory (PCRAM) devices suffer from pronounced resistance drift originating from considerable structural relaxation of phase‐change materials (PCMs), which hinders current developments of high‐capacity memory and high‐parallelism computing that both need reliable multibit programming. This work realizes that compositional simplification and geometrical miniaturization of traditional GeSbTe‐like PCMs are feasible routes to suppress relaxation. While to date, the aging mechanisms of the simplest PCM, Sb, at nanoscale, have not yet been unveiled. Here, this work demonstrates that in an optimal thickness of only 4 nm, the thin Sb film can enable a precise multilevel programming with ultralow resistance drift coefficients, in a regime of ≈10 −4 –10 −3 . This advancement is mainly owed to the slightly changed Peierls distortion in Sb and the less‐distorted octahedral‐like atomic configurations across the Sb/SiO 2 interfaces. This work highlights a new indispensable approach, interfacial regulation of nanoscale PCMs, for pursuing ultimately reliable resistance control in aggressively‐miniaturized PCRAM devices, to boost the storage and computing efficiencies substantially.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The coupling and competition of crystallization and phase separation, correlating thermodynamics and kinetics in OPV morphology and performances

The active layer morphology transition of organic photovoltaics under non-equilibrium conditions are of vital importance in determining the device power conversion efficiency and stability; however, a general and unified picture on this issue has not been well addressed. Using combined in situ and ex situ morphology characterizations, morphological parameters relating to kinetics and thermodynamics of morphology evolution are extracted and studied in model systems under thermal annealing. The coupling and competition of crystallization and demixing are found to be critical in morphology evolution, phase purification and interfacial orientation. A unified model summarizing different phase diagrams and all possible kinetic routes is proposed. The current observations address the fundamental issues underlying the formation of the complex multi-length scale morphology in bulk heterojunction blends and provide useful morphology optimization guidelines for processing devices with higher efficiency and stability.

36 MATERIALS SCIENCE↗

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.↗

Suppressing Quantum Circuit Errors Due to System Variability

We present a quantum circuit optimization technique that takes into account the variability in error rates that is inherent across present-day noisy quantum computing platforms. This method can be run after qubit routing or postcompilation and consists of computing isomorphic subgraphs to input circuits and scoring each using heuristic cost functions derived from system calibration data. Using an independent standard algorithmic test suite, we show that it is possible to recover on average nearly 40% of missing fidelity using better qubit selection via efficient to compute cost functions. We demonstrate additional performance gains by considering qubit placement over multiple quantum processors. The overhead from these tools is minimal with respect to other compilation steps, such as qubit routing, as the number of qubits increases. As such, our method can be used to find qubit mappings for problems at the scale of quantum advantage and beyond.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Ultradeep electron cyclotron resonance plasma etching of GaN

Here, ultradeep (≥5 μm) electron cyclotron resonance plasma etching of GaN micropillars was investigated. Parametric studies on the influence of the applied radio-frequency power, chlorine content in a Cl 2 /Ar etch plasma, and operating pressure on the etch depth, GaN-to-SiO 2 selectivity, and surface morphology were performed. Etch depths of >10 μm were achieved over a wide range of parameters. Etch rates and sidewall roughness were found to be most sensitive to variations in RF power and % Cl 2 in the etch plasma. Selectivities of >20:1 GaN:SiO 2 were achieved under several chemically driven etch conditions where a maximum selectivity of ~39:1 was obtained using a 100% Cl 2 plasma. The etch profile and (0001) surface morphology were significantly influenced by operating pressure and the chlorine content in the plasma. Optimized etch conditions yielded >10 μm tall micropillars with nanometer-scale sidewall roughness, high GaN:SiO 2 selectivity, and nearly vertical etch profiles. These results provide a promising route for the fabrication of ultradeep GaN microstructures for use in electronic and optoelectronic device applications. In addition, dry etch induced preferential crystallographic etching in GaN microstructures is also demonstrated, which may be of great interest for applications requiring access to non- or semipolar GaN surfaces.

36 MATERIALS SCIENCE↗

Grid-Enhanced, Mobility-Integrated Network Infrastructures for Extreme Fast Charging (GEMINI-XFC)

GEMINI-XFC will use first-of-a-kind integrated high-fidelity grid and transport modeling to identify effective pathways for widespread electrification, to design and evaluate integrated vehicle-grid control schemes, and to optimize electric vehicle integration at a full regional scale with individual customer resolution. Control variables will include: Charging station design and planning (where and what kind of charging stations); EV route scheduling considering grid "status"; and Dispatch of behind-the-meter energy storage and legacy voltage control actuators (on-load tap changes, voltage regulators, capacitors).

DIRECT ENERGY CONVERSION,POWER TRANSMISSION AND DI↗

Synthesis of grape-like carbon nanospheres and their application as photocatalyst and electrocatalyst

Carbon nanospheres of grape-like structure (CNS) with diameter ranging from 40 to 50 nm and wall thickness of 6–8 nm were synthesized by solvothermal route. The phase structure, morphology, microstructure, thermal stability, disorder and optical properties of synthesized CNS were investigated by various characterization techniques. The possible formation and growth mechanism for CNS were discussed on the basis of the in-build reaction conditions. The degradation study of organic pollutants (methylene blue) in UV light in the presence of synthesized CNS was done. The stability of the CNS in electrochemical performance was also discussed at the different potential window and compared its electrocatalytic activity with platinum supported on CNS which shows the better response for oxygen reduction reactions (ORR) at an optimized potential window (–0.2 to 1.0 V vs SCE). - Graphical abstract: A representative synthesis mechanism of carbon nano sphere (CNS) showing spherical morphology with its photo as well as electrocatalyst properties. - Highlights: • Carbon nanospheres (CNS) have been synthesized using in situ chemical-reduction route. • The bare CNS shows good luminescence and photocatalytic applications. • The Pt/CNS shows better electrochemical performance than the reported Pt/C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optimal Microstructure of Silicon Monoxide as the Anode for Lithium-Ion Batteries

Because of its metastable nature, silicon monoxide (SiO) consists of Si nanodomains in an amorphous matrix of SiO 2 . The microstructure of SiO, including SiO 2 , Si domains, and interphase (SiO x ) between domains, was modified via an annealing treatment in argon gas and thoroughly characterized by in-situ and ex-situ X-ray diffraction, pair distribution function, and electron energy loss spectroscopy. Two microstructure transformation routes were observed during the annealing process: (1) at a temperature of <800 °C, the annealing treatment was found to affect mainly the structural conformation of the amorphous SiO 2 matrix and the interphase, while (2) an annealing temperature of >800 °C led to significant Si nanodomain growth. Here, we found that the microstructure has a great impact on the electrochemical performance of SiO. The optimized microstructure of SiO appears to be achieved through annealing treatment at 800 °C or less, which results in interphase (SiO x ) reduction without causing significant Si domain growth. This work provides a deep insight into the domain and interphase transformation of SiO upon heat treatment. The improved understanding of the relationship between SiO microstructure and its electrochemical behavior will enable proper design and development of high-energy SiO for lithium-ion batteries.

25 ENERGY STORAGE↗

Model-Based Framework to Optimize Charger Station Deployment for Battery Electric Vehicles

The development of battery electric vehicles (BEVs) is accelerating due to their environmental advantages over gasoline and diesel-powered vehicles, including a decrease in air pollution and an increase in energy efficiency. The deployment of charging infrastructure will need to increase to keep pace with demand, especially for large commercial vehicles for which few public chargers currently exist. In this paper, a new flexible framework is proposed for optimizing the placement of charging stations for BEVs, within which different physical models and optimization techniques may be used. Furthermore, a set of metrics is suggested to help enforce complex constraints and facilitate direct comparison between different optimization techniques. Unlike many existing charger placement techniques, the proposed method directly considers the historical driving patterns on a vehicle-by-vehicle basis, using transparent models to assess impacts of candidate charger placements, thus improving the explainability of the results. In the developed framework, modeled BEVs are first generated along the road network to mimic historical traffic data and are simulated traveling along a given route according to a simplified vehicle model. During the simulation, the charger placement problem is initially relaxed to allow vehicles to charge at any node along the road network, and vehicle states are tracked to assess areas of high charging demand. Charging stations are then placed based on the results of the relaxed simulation, and suggested placements are evaluated via road network simulation with fixed charger locations. This proposed framework is applied to a sample problem of placing charging stations along five major highway corridors for Class 8 over-the-road electric trucks. A novel mixed integer programming (MIP) formulation is proposed to optimize charger placements based upon the expected charging demand. Constraints were imposed on the final placement results to limit expected wait times at each station and ensure a minimum threshold of trucking routes are viable for BEVs. The results demonstrate the flexibility and potential effectiveness of the developed model-based framework for scalable charger station deployment.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

MS/MS-Assisted Design of Sequence-Controlled Synthetic Polymers for Improved Reading of Encoded Information

In order to improve their MS/MS sequencing, structure of sequence-controlled synthetic polymers can be optimized based on considerations regarding their fragmentation behavior in collision-induced dissociation conditions, as demonstrated here for two digitally encoded polymer families. In poly(triazole amide)s, the main dissociation route proceeded via cleavage of the amide bond in each monomer, hence allowing the chains to be safely sequenced. However, a competitive cleavage of an ether bond in a tri(ethylene glycol) spacer placed between each coding moiety complicated MS/MS spectra while not bringing new structural information. Changing the tri(ethylene glycol) spacer to an alkyl group of the same size allowed this unwanted fragmentation pathway to be avoided, hence greatly simplifying the MS/MS reading step for such undecyl-based poly(triazole amide)s. In poly(alkoxyamine phosphodiester)s, a single dissociation pathway was achieved with repeating units containing an alkoxyamine linkage, which, by very low dissociation energy, made any other chemical bonds MS/MS-silent. Structure of these polymers was further tailored to enhance the stability of those precursor ions with a negatively charged phosphate group per monomer in order to improve their MS/MS readability. Increasing the size of both the alkyl coding moiety and the nitroxide spacer allowed sufficient distance between phosphate groups for all of them to be deprotonated simultaneously. Because the charge state of product ions increased with their polymerization degree, MS/MS spectra typically exhibited groups of fragments at one or the other side of the precursor ion depending on the original α or ω end-group they contain, allowing sequence reconstruction in a straightforward manner. .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ab Initio Structure Determination and Photoluminescent Properties of an Efficient, Thermally Stable Blue Phosphor, Ba 2 Y 5 B 5 O 17 :Ce 3+

Here, the crystal structure of a novel barium yttrium borate, Ba 2 Y 5 B 5 O 17 , was determined using a combination of ab initio global optimization algorithms and density functional theory calculations along with Rietveld refinement of high-resolution synchrotron X-ray powder diffraction data. Synthesized using a high-temperature solid-state route, the structure consists of edge- and corner-sharing Y- and Ba-centered polyhedra along with BO 3 trigonal planes. Ba and Y occupy four crystallographically independent sites with two fully occupied by Y and two having a statistical mixture of Y and Ba. Substituting Ce 3+ into the structure for Y 3+ yields blue photoluminescence ($λ_{\text{em}}$ = 443 nm) upon excitation with UV ($λ_{\text{em}}$ = 365 nm) light. The emission of this new compound is efficient with an external quantum yield of 70% and is stable as a function of temperature with a quenching temperature of ≈400 K.

36 MATERIALS SCIENCE↗

Layered Sn-Au Thin Films for Increased Electrochemical ATR-SEIRAS Enhancement

Operando electrochemical attenuated total reflection surface-enhanced infrared absorption spectroscopy (EC ATR-SEIRAS) is a valuable method for a fundamental understanding of electrochemical interfaces under real operating conditions. The applicability of this method depends on the ability to tune the optical and catalytic properties of an electrode film, and it thus requires unique optimization for any given material. Motivated by the growing interest in Sn-based electrocatalysts for selective reduction of CO2 to formate species, we investigate several Sn thin-film synthesis routes for the resulting SEIRA signal response. We compare the SEIRA performance of thermally evaporated metallic Sn to a series of Sn-based films on top of a SEIRA-active Au substrate (metallic Sn, oxide-derived metallic Sn, and metal oxide SnOx). Using alkanethiol self-assembled monolayers as a probe, we find that electrodepositing metallic catalyst films on top of SEIRA-active Au substrates yield higher signal relative to thermal evaporation as well as higher signal than the independent SEIRA-active Au underlayer. These observations come despite the fact that thermally evaporated Sn has a significantly higher surface roughness (and thus higher adsorbate population), suggesting specific SEIRA-magnifying effects for the stacked films. Finally, we applied these films to observe the electrochemical conversion of CO2. Differences are observed in spectral features based on the composition of the electrode being either metallic or oxide-derived metallic Sn, implying differences in their respective reaction pathways.

CO2 reduction↗