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At least 181 records · Page 10

Inspection of next-generation EUV resists with nano-projectile secondary ion mass spectrometry

There is a rapidly growing need for new materials for extreme ultraviolet (EUV) lithography, which incorporate high EUV absorbing elements. Hybrid resists, which are a combination of inorganic and organic moieties, are promising as they offer both high EUV sensitivity and high etch resistance. However, there is a glaring lack of methods to examine the uniformity of these important materials at the nanoscale. We examine the capabilities of nano-projectile secondary ion mass spectrometry (NP-SIMS) to investigate hybrid resists. NP-SIMS is a mass spectrometry-based technique with high lateral resolution. Using NP-SIMS, a surface is probed stochastically with a suite of individual projectiles, 10 6 to 10 7 in total, separated in time and space. Examining these individual mass spectra allows for nanoscale investigation of the uniformity of the surface. We evaluated the performance of NP-SIMS using samples of poly(methyl methacrylate) (PMMA) infiltrated with varying amounts of InO x via vapor-phase infiltration (VPI), an organic–inorganic hybridization method derived from atomic layer deposition. Here, we found that NP-SIMS measurements contained abundant characteristic ions related to both the PMMA and infiltrated In. The intensity of In atomic ions increased linearly with the number of infiltration cycles; however, the uniformity of In and PMMA varied with the number of infiltration cycles. After one cycle, we found that both the PMMA and In were relatively inhomogeneous. The homogeneity improved with subsequent infiltration cycles. In addition, NP-SIMS measurements contained characteristic ions related to the infiltration reaction and provided insights into the VPI mechanism. Overall, the results show that NP-SIMS is capable of examining both the inorganic and organic moieties in a hybrid resist and will be an important method for understanding the performance of these materials for use in EUV lithography.

36 MATERIALS SCIENCE↗

Hybridizing Machine Learning and Physically-based Earth System Models to Improve Prediction of Multivariate Extreme Events (AI Exploration of Wildland Fire Prediction)

Focal Areas: This project responds to two focal areas identified in the DOE Call for AI4ESP White Papers: 1) Predictive modeling through the use of artificial intelligence (AI) techniques, and 2) insights gleaned from complex data using explainable AI and big data analytics. Science Challenge: Large wildland fires (hereafter wildfires) appearing as high-impact compound climate extreme events are closely related to hydroclimate and water cycle extremes that modulate surface fuel supply and combustibility. These compound events have multivariate climatic features (e.g., temperature, precipitation, relative humidity, wind, lightning) and societal drivers (e.g., forest management, land use change, human caused ignitions). Meanwhile, they induce strong feedbacks to the coupled atmosphere, biosphere, and hydrosphere by perturbing regional and global radiation budget as well as ecological, biogeochemical, and water cycles across multiple spatiotemporal scales. The nonlinear interactions between these natural and anthropogenic components of the Earth system are too complex to be completely and adequately represented in today’s Earth system models (ESMs). The inherent stochastic nature of fire activity at all scales further increases the difficulty of its prediction using ESMs that are usually developed from deterministic equations and parameterizations. Besides, concurrence of long-term (decadal to interdecadal) global climate change and fire regime shifts overlapping with short-term (intraseasonal to interannual) variations of regional fire weather and burning activity confound predictability of these compound extreme events. We propose to address the above scientific challenges by using machine learning (ML)-based data-driven modeling techniques to integrate observations and physically-based ESMs’ simulations in a computationally efficient hybrid prediction system. This prediction system is supposed to characterize the wildfire’s sensitivity to climate and exogenous drivers at high resolution (~ 0.25°) on subseasonal to seasonal (S2S) timescales providing improved predictability and explainability. We will use the system to help identify: (1) What are the computational elements of a hybrid system needed to predict compound climate extreme events such as global wildfires? (2) What are the key drivers (either natural or anthropogenic) that modulate short-term variations of multivariate fire weather and burning activity over different regions? How can one take advantage of those driver-response relationships to improve the predictability of large wildfires on S2S time scales? (3) What are the underlying physical mechanisms and sources of improved predictability? Which ML techniques are optimal in revealing and adapting these mechanisms?

54 ENVIRONMENTAL SCIENCES↗

A Hybrid Optimization and Deep Learning Algorithm for Cyber-Resilient DER Control

With the proliferation of distributed energy resources (DERs) in the distribution grid, it is a challenge to effectively control a large number of DERs resilient to the communication and security disruptions, as well as to provide the online grid services, such as voltage regulation and virtual power plant (VPP) dispatch. To this end, a hybrid feedback-based optimization algorithm along with deep learning forecasting technique is proposed to specifically address the cyber-related issues. The online decentralized feedback-based DER optimization control requires timely, accurate voltage measurement from the grid. However, in practice such information may not be received by the control center or even be corrupted. Therefore, the long short-term memory (LSTM) deep learning algorithm is employed to forecast delayed/missed/attacked messages with high accuracy. The IEEE 37-node feeder with high penetration of PV systems is used to validate the efficiency of the proposed hybrid algorithm. The results show that 1) the LSTM-forecasted lost voltage can effectively improve the performance of the DER control algorithm in the practical cyber-physical architecture; and 2) the LSTM forecasting strategy outperforms other strategies of using previous message and skipping dual parameter update.

cyber-resilient algorithm↗

Coherent Gate Operations in Hybrid Magnonics

Electromagnonics-the hybridization of spin excitations and electromagnetic waves-has been recognized as a promising candidate for coherent information processing in recent years. Among its various implementations, the lack of available approaches for real-time manipulation on the system dynamics has become a common and urgent limitation. In this work, by introducing a fast and uniform modulation technique, we successfully demonstrate a series of benchmark coherent gate operations in hybrid magnonics, including semiclassical analogies of Landau-Zener transitions, Rabi oscillations, Ramsey interference, and controlled mode swap operations. Finally, our approach lays the groundwork for dynamical manipulation of coherent signals in hybrid magnonics and can be generalized to a broad range of applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Ferroelectric Switching in Hybrid Molecular-Beam-Epitaxy-Grown BaTiO 3 Films

Molecular beam epitaxy (MBE) is a promising synthesis technique for both heterostructure growth and epitaxial integration of ferroelectric BaTiO 3 . However, direct measurement of the remnant polarization (P r ) has not been previously reported in MBE-grown BaTiO 3 films. We report the in situ growth of an all-epitaxial SrRuO 3 /BaTiO 3 /SrRuO 3 heterostructure on Nb-doped SrTiO 3 (001) substrates by hybrid MBE using metal–organic precursors. This capacitor structure consisting of 16 nm SrRuO 3 /40 nm BaTiO 3 /16 nm SrRuO 3 shows hysteretic polarization–electric field (P–E) curves with P r ∼ 15 μC cm –2 at frequencies ranging from 500 Hz to 20 kHz, after isolating the intrinsic ferroelectric response from non-ferroelectric contributions using the Positive-Up-Negative-Down (PUND) method. We hypothesize that the asymmetry in switching behavior and current leakage has origins in structural defects. Furthermore, this work opens the door to defect-engineered ferroelectric BaTiO 3 -based heterostructures grown by hybrid MBE for future electronic, photonic and spintronic applications.

SrRuO3 electrode↗

Vehicle Powertrain Simulation Accuracy for Various Drive Cycle Frequencies and Upsampling Techniques

As connected and automated vehicle technologies emerge and proliferate, lower frequency vehicle trajectory data is becoming more widely available. In some cases, entire fleets are streaming position, speed, and telemetry at sample rates of less than 10 seconds. This presents opportunities to apply powertrain simulators such as the National Renewable Energy Laboratory's Future Automotive Systems Technology Simulator to model how advanced powertrain technologies would perform in the real world. However, connected vehicle data tends to be available at lower temporal frequencies than the 1-10 Hz trajectories that have typically been used for powertrain simulation. Higher frequency data, typically used for simulation, is costly to collect and store and therefore is often limited in density and geography. This paper explores the suitability of lower frequency, high availability, connected vehicle data for detailed powertrain simulation. A large data set of 1 Hz trajectories is used to quantify the accuracy loss when simulating energy consumption for conventional, hybrid, and battery electric powertrains using less than 1 Hz data. Techniques to upsample lower frequency drive cycle data in order to increase accuracy are also explored. Median energy consumption errors when simulating energy consumption for a 1/10 Hz trajectory are found to be 3-6% when compared to 1 Hz trajectories. Applying upsampling and interpolation techniques are shown to reduce the simulation errors by roughly 50%. The findings in this work can guide connected vehicle data collection specifications and processing techniques applied when using collected data for powertrain simulation.

ADVANCED PROPULSION SYSTEMS↗

Plasmon-Induced Resonance Energy Transfer in Hybrid Nanomaterials

Plasmon-induced resonance energy transfer (PIRET) has emerged as a powerful mechanism for harnessing and redirecting plasmon energy before it dissipates into hot carriers or heat. By matching plasmon resonance frequencies with acceptor absorption bands, PIRET extends plasmon-driven processes beyond the charge transfer pathway, enabling selective energy flow into excitonic transitions. Here, this review highlights important progress in elucidating the fundamental plasmon decay processes and transitioning them into hybrid nanomaterials under PIRET. Employing specialized single-particle spectroscopic techniques based on scattering, extinction, and emission enables demonstration of PIRET in the face of competing mechanisms, such as interfacial charge transfer and thermalization. Finally, we complete this review by addressing strategies for active modulation of PIRET and present applications, ranging from plasmon photocatalysis to intracellular biochemical sensing.

Energy transfer↗

Interpreting inorganic compositional depth profiles to understand the rate-limiting step in vapor phase infiltration processes

Vapor phase infiltration (VPI) is a post-polymerization modification technique that infuses inorganics into polymers to create organic–inorganic hybrid materials with new properties. Much is yet to be understood about the chemical kinetics underlying the VPI process. The aim of this study is to create a greater understanding of the process kinetics that govern the infiltration of trimethyl aluminum (TMA) and TiCl 4 into PMMA to form inorganic-PMMA hybrid materials. To gain insight, this paper initially examines the predicted results for the spatiotemporal concentrations of inorganics computed from a recently posited reaction–diffusion model for VPI. This model provides insight on how the Damköhler number (reaction versus diffusion rates) and non-Fickian diffusional processes (hindering) that result from the material transforming from a polymer to a hybrid can affect the evolution of inorganic concentration depth profiles with time. Subsequently, experimental XPS depth profiles are collected for TMA and TiCl 4 infiltrated PMMA films at 90 °C and 135 °C. The functional behavior of these depth profiles at varying infiltration times are qualitatively compared to various computed predictions and conclusions are drawn about the mechanisms of each of these processes. TMA infiltration into PMMA appears to transition from a diffusion-limited process at low temperatures (90 °C) to a reaction-limited process at high temperatures (135 °C) for the film thicknesses investigated here (200 nm). While TMA appears to fully infiltrate these 200 nm PMMA films within a few hours, TiCl 4 infiltration into PMMA is considerably slower, with full saturation not occurring even after 2 days of precursor exposure. Infiltration at 90 °C is so slow that no clear conclusions about mechanism can be drawn; however, at 135 °C, the TiCl 4 infiltration into PMMA is clearly a reaction-limited process, with TiCl 4 permeating the entire thickness (at low concentrations) within only a few minutes, but inorganic loading continuously increasing in a uniform manner over a course of 2 days. Near-surface deviations from the uniform-loading expected for a reaction-limited process also suggest that diffusional hindering is high for TiCl 4 infiltration into PMMA. In conclusion, these results demonstrate a new, ex situ analysis approach for investigating the rate-limiting process mechanisms for vapor phase infiltration.

36 MATERIALS SCIENCE↗

Continuous and Time-Domain Coherent Signal Conversion between Optical and Microwave Frequencies

A quantum network consisting of computational nodes connected by high-fidelity communication channels could expand information-processing capabilities significantly beyond those of classical networks. Superconducting qubits hold promise for scalable and high-fidelity quantum computation at microwave frequencies but must operate in an isolated cryogenic environment, obviating the potential for practical long-range communication. Quantum communication has, however, been demonstrated with optical photons. A fast efficient quantum-coherent interface between superconducting qubits and optical photons would provide a key resource for a large-scale quantum network or distributed quantum computer. Here, we describe the design and experimental operation of a device incorporating a silicon optomechanical nanobeam combined with an aluminum-nitride-based electromechanical transducer. We experimentally demonstrate classical continuous-wave operation of this device at room temperature with external conversion efficiencies of (2.5 +/- 0.4) x 10 -5 (microwave to optical) and (3.8 +/- 0.4) x 10 -5 (optical to microwave), corresponding to internal efficiencies of 2.4% and 3.7%, respectively. Finally, this device also has a larger bandwidth than previous efficient microwave-optical transducers, allowing us to operate in the time domain with 20-ns pulses.

74 ATOMIC AND MOLECULAR PHYSICS↗

Characterization and Optimization of the Fitting of Quantum Correlation Functions

This case study presents a characterization and optimization of an application code for extracting parton distribution functions from high energy electron-proton scattering data. Profiling this application code reveals that the phase-space density computation accounts for 93% of the overall execution time for a single iteration on a single core. When executing multiple iterations in parallel on a multicore system, the application spends 78% of its overall execution time idling due to load imbalance. We address these issues by first transforming the application code from Python to C++ and then tackling the application load imbalance via a hybrid scheduling strategy that combines dynamic and static scheduling. These techniques result in a 62% reduction in CPU idle time and a 2.46x speedup in overall execution time per node. In addition, the typically enabled power-management mechanisms in supercomputers (e.g., AMD Turbo Core, Intel Turbo Boost, and RAPL) can significantly impact intra-node scalability when more than 50% of the CPU cores are used. This finding underscores the importance of understanding system interactions with power management, as they can adversely impact application performance, and highlights the necessity of intra-node scaling tests to identify performance degradation that inter-node scaling tests might otherwise overlook.

Chuang, Pi-Yueh [Virginia Tech,Dept. of Computer S↗

A Multi-Scale Inference, Estimation, and Prediction Engine for Earth System Modeling

We posit that AI methods can be leveraged to significantly enhance the predictive skill of forward Earth system modeling (ESM) activities. A hybrid framework incorporating traditional ESM modeling, inference methods, and AI techniques could make better use of both measured and computed information as well as computational resources by targeting inference tasks at program priorities, such as the predictability of precipitation extremes. This runtime pathway to closing the simulation/analysis-data/model improvement loop will streamline the traditional offline pathway to model improvement, which is based on domain science expertise, while suggesting guidance for further observations and measurements.

58 GEOSCIENCES↗

Decentralized Distributed Proximal Policy Optimization (DD-PPO) for High Performance Computing Scheduling on Multi-User Systems

Resource allocation in High Performance Computing (HPC) environments presents a complex and multifaceted challenge for job scheduling algorithms. Beyond the efficient allocation of system resources, schedulers must account for and optimize multiple performance metrics, including job wait time and system throughput. Traditional heuristic-based scheduling algorithms increasingly struggle and lack the efficiency needed to meet the demands and address the complexity and scale of modern HPC systems. Consequently, recent research efforts have focused on leveraging advancements in Artificial Intelligence (AI) and Deep Learning (DL), particularly Reinforcement Learning (RL), to develop more adaptable and intelligent scheduling strategies. Previous RL-based scheduling approaches have explored a range of algorithms, from Deep Q-Networks (DQN) to Proximal Policy Optimization (PPO), and more recently, hybrid methods that integrate Graph Neural Networks (GNNs) with RL techniques. However, a common limitation across these methods is their reliance on relatively small datasets, with few methods being evaluated using large-scale, multi-million-job trace datasets representative of real-world HPC workloads. Moreover, existing RL schedulers face scalability issues due to centralized policy updates, which hinder training efficiency and performance when applied to large datasets. This study introduces a novel RL-based scheduler utilizing Decentralized Distributed Proximal Policy Optimization (DD-PPO) algorithm, which supports large-scale distributed training across multiple workers without requiring parameter synchronization at every step. By eliminating reliance on centralized updates to a shared policy, the DD-PPO scheduler enhances scalability, training efficiency, and sample utilization. Experimental validation using a large real-world dataset containing over 11.5 million job traces collected from petascale HPC systems over six years assesses the influence of dataset scale on training effectiveness and compares DD-PPO performance to traditional and advanced scheduling approaches. The experimental results demonstrate improved scheduling performance in comparison to both heuristic-based schedulers and existing RL-based scheduling algorithms.

AI↗

Three‐Dimensional Broadband Interferometric Mapping and Polarization (BIMAP‐3D) Observations of Lightning Discharge Processes

Abstract Following on our earlier single‐station, 2‐dimensional (2D) broadband interferometric mapping and polarization (BIMAP) observations of lightning discharges, we recently deployed two BIMAP stations at Los Alamos National Laboratory to map the lightning sources and their polarization in full 3‐dimensional (3D) space (BIMAP‐3D). The two stations are separated by 11.5‐km and each station consists of four antenna sets (instead of three for the original BIMAP) that form a Y ‐shaped array for improved interferometric performance. In this paper, we report the BIMAP‐3D system design, a generalized and analytical 2D interferometry technique for noncoplanar antenna array, a two‐stage 3D mapping technique based on geometric triangulation and baseline‐based differential time of arrival, and a technique to reconstruct the polarization orientation in 3D space by combining the 2D polarization results from the two‐station observations. Along with description of the techniques, we demonstrate and discuss the initial lightning results, including 3D maps for a hybrid intracloud and cloud‐to‐ground flash and for a normal intracloud flash, development of abnormal K‐change leaders, and polarization signatures for a K‐change leader. We find that with the two‐stage 3D mapping techniques, the sources can be located to meters accuracy for a favorable event that occurs between the two stations. We also find the polarization vectors for the example K leader are mostly orthogonal to the leader channel after the full 3D polarization analysis. The main purpose of this paper is to report the BIMAP‐3D techniques and capabilities. Detailed analysis of more specific discharge processes will be reported in later studies.

54 ENVIRONMENTAL SCIENCES↗

Combined Optical and Radio-Frequency Perspectives on a Hybrid Cloud-To-Ground Lightning Flash Observed by the FORTE Satellite

In this work, we use the coincident optical and radio-frequency (RF) measurements taken by the Fast On-orbit Recording of Transient Events (FORTE) satellite to shed light on common optical signatures recorded by NASA and NOAA lightning imagers during Cloud-to-Ground (CG) lightning. We build flash cluster data for FORTE using the same techniques as the NASA/NOAA instruments to document the optical/RF evolution of an oceanic hybrid -CG flash. The flash began with strong Very High Frequency (VHF)-band emission from a Narrow Bipolar Event (NBE) that initiated a period of normal bilevel intracloud (IC) activity in two vertical layers (8 and 12 km) that lasted for 490 ms. VHF waveforms show step leader activity ahead of the return stroke. All impulsive VHF sources after the stroke come from the lower (8 km) layer. K-changes are noted following the return stroke, but no subsequent strokes are detected. The optical flash began 136 ms after the NBE RF pulse. Twenty-two of the 33 optical groups were dim and occurred during the in-cloud phase of the flash. This activity included both isolated pulses and sustained periods of illumination over tens of milliseconds. Initial cloud pulses accounted for 23% of the total optical radiance from the flash. Illumination during the return stroke contributed 58% of the total radiance, and the K-changes and cloud pulses after the stroke supplied the remaining 19%. These results highlight the benefit of having RF alongside optical lightning measurements for clarifying signatures in the optical data and providing information on their physical origins.

54 ENVIRONMENTAL SCIENCES↗

Hybrid method for monitoring large Fabry-Pérot cavity displacements with nanometer precision

The change in length of an optical fiber-based Fabry-Pérot cavity (FPC) can be precisely measured using phase tracking, but the displacement range is limited by phase ambiguity. Period tracking techniques determine the absolute FPC length, but with larger uncertainties from tracking the spacing between multiple peaks. A hybrid method is demonstrated that identifies appropriate peaks for phase tracking using a coarse estimate obtained from the free spectral range to effectively maintain the high precision (∼1 nm) of phase tracking techniques to measure ∼24 µ m displacements, well beyond the range limitations (typically <1 µ m) of phase tracking methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Emergent properties of magnons coupled to microwave photons (Final Technical Report)

Studying the emergent properties of hybrid quantum material platforms holds great promise for advancing quantum technologies and transforming our ability to control quantum mechanical interactions. A key development in recent years is the recognition that magnons – the elementary quanta of spin waves – can serve as fundamental building blocks in quantum systems. Understanding the mechanisms behind the generation and control of hybrid quasiparticles based on magnons could pave the way for engineering new materials for quantum coherent processing and quantum computing. This research project focused on the precise control of light-matter interactions in magnetic hybrid systems and nanostructures, where light is carried by microwave photons and matter by magnons in engineered magnetic metamaterials. Furthermore, we investigated hybridized magnon interactions in magnetic nanostructures and devices. To this end, the project has developed new measurement techniques and systematically studied novel material systems for efficient magnon-photon coupling. A key focus was uncovering the fundamental mechanisms governing magnon-photon and magnon-phonon interactions – critical for utilizing magnons as coherent information transducers between carriers. Specifically, this research addressed: 1. Investigate the dispersion and collective properties of magnon hybrid systems in new material systems. 2. Develop magnonic hybrids with non-zero wavevectors and achieve effective control of magnon-polariton properties through engineered magnonic behaviors. 3. Determine how spin-orbit torques interact with electromagnetic fields in the strong coupling regime. This work generated new insights into the physics of magnonic hybrid systems and their emergent properties by broadening the range of material platforms and measurement techniques used to study magnon-photon and magnon-magnon coupling. The findings deepen our understanding of magnon-polaritons and lay the groundwork for novel spintronic devices with potential applications in quantum information science.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Leveraging Hamiltonian simulation techniques to compile operations on bosonic devices

Circuit quantum electrodynamics enables the combined use of qubits and oscillator modes. Despite a variety of available gate sets, many hybrid qubit-boson (i.e. qubit-oscillator) operations are realizable only through optimal control theory, which is oftentimes intractable and uninterpretable. We introduce an analytic approach with rigorously proven error bounds for realizing specific classes of operations via two matrix product formulas commonly used in Hamiltonian simulation, the Lie–Trotter–Suzuki and Baker–Campbell–Hausdorff product formulas. We show how this technique can be used to realize a number of operations of interest, including polynomials of annihilation and creation operators, namely (a) p (a † ) q for integer p, q. We show examples of this paradigm including obtaining universal control within a subspace of the entire Fock space of an oscillator, state preparation of a fixed photon number in the cavity, simulation of the Jaynes–Cummings Hamiltonian, and simulation of the Hong-Ou-Mandel effect. This work demonstrates how techniques from Hamiltonian simulation can be applied to better control hybrid qubit-boson devices.

bosonic qubits↗

Closing the Gap Between Modeling and Experiments in the Self-assembly of Biomolecules at Interfaces and in Solution

Molecular self-assembly is a powerful tool in materials design, wherein non-covalent interactions like electrostatic, hydrophobic, hydrogen bonding, and van der Waals can be exploited to produce supramolecular nanostructures that are functional and highly tunable. Biomolecules are attractive building blocks, as they are biocompatible, biodegradable and adopt a wide array of higher order structures. Moreover, naturally occurring protein systems display a manifold of structures and interactions that can be replicated in synthetic biomolecules. In this perspective, we highlight advances in multiscale simulation techniques across broad spatiotemporal scales that can aid in characterizing self-assembly of hybrid and hierarchical bionanomaterial systems, with an emphasis on physics-based simulation approaches currently employed to study biomolecules at mineral interfaces. The power of these approaches is highlighted across a few recent areas where molecular simulations have advanced our understanding of self-assembly spanning peptides to protein self-assembly. Looking forward, we discuss how in the near future emerging methods in statistical and machine learning will advance this research field in all areas from expanding the capabilities of physics-based simulation methods to enabling new analyses of high throughput experiments. These advances will pave the way for understanding the molecular recognition patterns in systems that are dictated by self-assembly - biomineralizing peptides, hierarchical peptoids, and large protein assemblies, and will aid in the development of a new synthesis science for achieving precise molecular control in materials design

Sampath, Janani↗