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At least 1,603 records · Page 89

Computational Modeling, Simulation, and Potential Applications of Optical Stochastic Cooling

With the rising demand for intense particles beams, much research is being conducted in the area of particle beam cooling. One of these methods, called Stochastic Cooling (SC) (developed at CERN in the 1970's), delivered a feedback method to improve the quality and lifetime of circulating proton beams by reducing their 6D phase-space and has been widely implemented in a number of hadron machines. However, traditional stochastic cooling schemes are limited by the bandwidth of microwave frequency systems. Optical Stochastic Cooling (OSC) is a promising extension of the stochastic cooling beam cooling technique. OSC instead uses optical wavelengths which allows for improved control and increased cooling but creates its own technical challenges. This lays out work conducted toward the experimental demonstration of OSC at Fermilab's Integrable Optics Test Accelerator (IOTA) storage ring. This includes the design and characterization of parts of the optical delay system, the development and validation of a high-fidelity computational model of the OSC process, and the investigations into possible applications of the OSC mechanism to advanced beam manipulations.

43 PARTICLE ACCELERATORS↗

Initial Design of SABRE Fueled Molten Salt Experiment Irradiation Vehicle

Molten Salt Reactors (MSRs) are emerging as promising advanced reactor technologies, utilizing molten salts for both fuel and primary cooling. These reactors may offer advantages such as passive safety, enhanced economic viability, and efficient waste reprocessing while operating at high temperatures and low pressures, which leads to increased system efficiency and reduced mechanical stress on containment structures. However, challenges arise from the complex chemistry and high corrosion rates of fueled molten salts, alongside the volatility of certain fission products during irradiation. The accumulation of these fission products can alter the fuel salt chemistry, affecting corrosion potential and radioactive source terms. Therefore, understanding these phenomena under neutron irradiation is essential for future MSR designs. The SABRE (Salt and Actinide Burnup in a Reactor Environment) experiment, currently in conceptual design at Idaho National Laboratory (INL), aims to investigate these challenges by conducting a drop-in capsule experiment in the Advanced Test Reactor (ATR). The primary objectives include achieving a minimum burnup of 2 GWd/MTU and characterizing fission products while studying corrosion behavior in molten salt systems. This innovative experiment will leverage recent advancements in ATR capabilities, allowing for the safe irradiation of molten salts, thereby advancing the understanding and qualification of MSR technology for future nuclear power generation.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Multi-phase characterization of pitch-carbon coated nano-silicon anodes for lithium-ion batteries

Silicon (Si) is a leading next-generation Li-ion battery anode candidate that meets rigorous performance demands for portable power including enhanced power and energy density with robust cycling performance. However, a series of complex and interrelated reactions lead to reduced calendar life in Si-containing systems and therefore challenge practical adoption. In the present work, we probe the mechanisms underlying observed performance improvements by adding a pitch-carbon coating onto nano-Si material. We pair solid-phase (X-ray photoemission spectroscopy, Fourier-transform infrared), semi-volatile phase (solid-phase microextraction-gas chromatography-mass spectrometry), and gas-phase (gas chromatography-flame-ionization detector) characterization signals to comprehensively evaluate the impact of pitch-carbon coating on the evolution of the Si solid-electrolyte interphase (SEI) and the associated impacts on electrode/electrolyte reactivity. The pitch-carbon is found to serve as a physicochemical barrier, reducing the electro-active surface area for Si/electrolyte reactivity and preventing Si oxidation. Further, the pitch-carbon coating promotes the evolution of a more-favorable SEI by subsuming substantial functionality typically associated with the fluoroethylene carbonate (FEC) electrolyte additive - such as alkoxide scavenging and suppression of transesterification pathways - and by shifting the competitive electrolyte degradation pathways' favorability. The multi-phase characterization approach enables holistic end-products evaluation from complex (electro)chemical interfacial reactions, which informs a robust interpretation of the carbon coating's role in electrochemical performance improvements. The present mechanistic evaluation aids the rational design for improved nano-Si materials.

25 ENERGY STORAGE↗

FIR/THz Space Interferometry: Science Opportunities, Mission Concepts, and Technical Challenges

Sensitive far-IR imaging and spectroscopic measurements of astronomical objects on sub-arcsecond angular scales are essential to our understanding of star and planet formation, the formation and evolution of galaxies, and to the detection and characterization of extrasolar planets. Cold single-aperture telescopes in space, such as the Spitzer Space Telescope and the Herschel Space Observatory, are very sensitive, but they lack the necessary angular resolution by two or more orders of magnitude. Far-IR space interferometers will address this need in the coming decades. Several mission concepts have already been studied, including in the US the Space Infrared Interferometric Telescope (SPIRIT) and the more ambitious Submillimeter Probe of the Evolution of Cosmic Structure (SPECS). This talk will describe science goals and summarize alternative concepts for future FIR/THz space interferometry missions. Small arrays of sensitive, fast, direct detectors are a key enabling technology for SPIRIT and SPECS. I will describe the technology requirements for far-IR interferometry, including the detector requirements, and their derivation from the mission science goals and instrument concepts.

Leisawitz, David↗

Characterizing the diverse hydrogeology underlying rivers and estuaries using new floating transient electromagnetic methodology

We report the hydrogeology below large surface water features such as rivers and estuaries is universally under-informed at the long reach to basin scales (tens of km+). This challenge inhibits the accurate modeling of fresh/saline groundwater interfaces and groundwater/surface water exchange patterns at management-relevant spatial extents. Here we introduce a towed, floating transient electromagnetic (TEM) system (i.e. FloaTEM) for rapid (up to 15 km/h) high resolution electrical mapping of the subsurface below large water bodies to depths often a factor of 10 greater than other towed instruments. The novel FloaTEM system is demonstrated at a range of diverse 4th through 6th-order riverine settings across the United States including 1) the Farmington River, near Hartford, Connecticut; 2) the Upper Delaware River near Barryville, New York; 3) the Tallahatchie River near Shellmound, Mississippi; and, 4) the Eel River estuary, on Cape Cod, near Falmouth, Massachusetts. Airborne frequency-domain electromagnetic and land-based towed TEM data are also compared at the Tallahatchie River site, and streambed geologic scenarios are explored with forward modeling. A range of geologic structures and pore water salinity interfaces were identified. Process-based interpretation of the case study data indicated FloaTEM can resolve varied sediment-water interface materials, such as the accumulation of fines at the bottom of a reservoir and permeable sand/gravel riverbed sediments that focus groundwater discharge. Bedrock layers were mapped at several sites, and aquifer confining units were defined at comparable resolution to airborne methods. Terrestrial fresh groundwater discharge with flowpaths extending hundreds of meters from shore was also imaged below the Eel River estuary, improving on previous hydrogeological characterizations of that nutrient-rich coastal exchange zone. In summary, the novel FloaTEM system fills a critical gap in our ability to characterize the hydrogeology below surface water features and will support more accurate prediction of groundwater/surface water exchange dynamics and fresh-saline groundwater interfaces.

54 ENVIRONMENTAL SCIENCES↗

Machine learning-guided design, synthesis, and characterization of atomically dispersed electrocatalysts

The recent integration of machine learning into materials design has revolutionized the understanding of structure–property relationships and optimization of material properties beyond the trial-and-error paradigm. On one hand, machine learning has significantly accelerated the development of atomically dispersed metal-nitrogen-carbon (M-N-C) electrocatalysts, which traditionally heavily relied on heuristic approaches. On the other hand, the primary challenge of leveraging machine learning to expedite M-N-C materials discovery lies in the cost associated with data collection. Here, we review recent machine learning integration strategies for M-N-C catalyst development, including discussions on the typical algorithms such as symbolic regression and convolutional neural networks employed for the theoretical design, synthesis optimization via active learning, and advanced microscopy characterization. Subsequently, we provide our perspective on potential near-future directions for furthering machine learning-assisted development of new M-N-C catalysts and elucidating the complex physicochemical mechanisms governing the selectivity, activity, and durability in this class of materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Opportunities and Challenges in Metal Forming for Lightweighting: Review and Future Work

Abstract The purposes of this review are to summarize the historical progress in the last 60 years of lightweight metal forming, to analyze the state-of-the-art, and to identify future directions in the context of Cyber-physically enabled circular economy. In honoring the 100th anniversary of the establishment of the Manufacturing Engineering Division of ASME, this review paper first provides the impact of the metal forming sector on the economy and historical perspectives of metal forming research work published by the ASME Journal of Manufacturing Science and Engineering, followed by the motivations and trends in lightweighting. To achieve lightweighting, one needs to systematically consider: (1) materials and material characterization; (2) innovative forming processes; and (3) simulation tools for integrated part design and process design. A new approach for process innovation, i.e., the Performance-Constraints-Mechanism-Innovation (PCMI) framework, is proposed to systematically seek new processes. Finally, trends and challenges for the further development in circular economy are presented for future exploration.

Engineering↗

NASA's Space Launch System: Deep-Space Delivery for Smallsats

Designed for human exploration missions into deep space, NASA's Space Launch System (SLS) represents a new spaceflight infrastructure asset, enabling a wide variety of unique utilization opportunities. While primarily focused on launching the large systems needed for crewed spaceflight beyond Earth orbit, SLS also offers a game-changing capability for the deployment of small satellites to deep-space destinations, beginning with its first flight. Currently, SLS is making rapid progress toward readiness for its first launch in two years, using the initial configuration of the vehicle, which is capable of delivering 70 metric tons (t) to Low Earth Orbit (LEO). On its first flight test of the Orion spacecraft around the moon, accompanying Orion on SLS will be small-satellite secondary payloads, which will deploy in cislunar space. The deployment berths are sized for "6U" CubeSats, and on EM-1 the spacecraft will be deployed into cislunar space following Orion separate from the SLS Interim Cryogenic Propulsion Stage. Payloads in 6U class will be limited to 14 kg maximum mass. Secondary payloads on EM-1 will be launched in the Orion Stage Adapter (OSA). Payload dispensers will be mounted on specially designed brackets, each attached to the interior wall of the OSA. For the EM-1 mission, a total of fourteen brackets will be installed, allowing for thirteen payload locations. The final location will be used for mounting an avionics unit, which will include a battery and sequencer for executing the mission deployment sequence. Following the launch of EM-1, deployments of the secondary payloads will commence after sufficient separation of the Orion spacecraft to the upper stage vehicle to minimize any possible contact of the deployed CubeSats to Orion. Currently this is estimated to require approximately 4 hours. The allowed deployment window for the CubeSats will be from the time the upper stage disposal maneuvers are complete to up to 10 days after launch. The upper stage will fly past the moon at a perigee of approximately 100km, and this closest approach will occur about 5 days after launch. The limiting factor for the latest deployment time is the available power in the sequencer system. Several NASA Mission Directorates were involved in the development of programs for the competition, selection, and development of EM-1 payloads that support directorate priorities. CubeSat payloads on EM-1 will include both NASA research experiments and spacecraft developed by industry, international and potentially academia partners. The Human Exploration and Operations Mission Directorate (HEOMD) Advanced Exploration Systems (AES) Division was allocated five payload opportunities on the EM-1 mission. Near Earth Asteroid (NEA) Scout is designed to rendezvous with and characterize a candidate NEA. A solar sail, an innovation the spacecraft will demonstrated for the CubeSat class, will provide propulsion. Lunar Flashlight will use a green propellant system and will search for potential ice deposits in the moon's permanently shadowed craters. BioSentinel is a yeast radiation biosensor, planned to measure the effects of space radiation on deoxyribonucleic acid (DNA). Lunar Icecube, a collaboration with Morehead State University, will prospect for water in ice, liquid, and vapor forms as well as other lunar volatiles from a low-perigee, highly inclined lunar orbit using a compact Infrared spectrometer. Skyfire, a partnership with Lockheed Martin, is a technology demonstration mission that will perform a lunar flyby, collecting spectroscopy, and thermography data to address questions related to surface characterization, remote sensing, and site selection. NASA's Space Technology Mission Directorate (STMD) was allocated three payload opportunities on the EM-1 mission. These slots will be filled via the Centennial Challenges Program, NASA's flagship program for technology prize competitions, which directly engages the public, academia, and industry in open prize competitions to stimulate innovation. The NASA Science Mission Directorate (SMD) was allocated two payload opportunities on the EM-1 mission. The CubeSat Mission to Study Solar Particles (CuSP) payload will study the sources and acceleration mechanisms of solar and interplanetary particles in near-Earth orbit, support space weather research by determining proton radiation levels during Solar Energetic Particle (SEP) events and identifying suprathermal properties that could help predict geomagnetic storms. The LunaH-Map payload will help scientists understand the quantity of H-bearing materials in lunar cold traps (~10 km), determine the concentration of H-bearing materials with 1m depth, and constrain the vertical distribution of H-bearing materials. The final three payload opportunities for the EM-1 mission were allocated for NASA's international space agency counterparts. The flight opportunities are intended to benefit the international space agency and NASA as well as further the collective space exploration goals. ArgoMoon is sponsored by ESA/ASI and will fly along with the ICPS on its disposal trajectory to perform proximity operations with the ICPS post-disposal, take external imagery of engineering and historical significance, and perform an optical communications demonstration. EQUULEUS, sponsored by JAXA, will fly to a libration orbit around the Earth-Moon L2 point and demonstrate trajectory control techniques within the Sun-Earth- Moon region for the first time by a nano spacecraft. The mission will also contribute to the future human exploration scenario by understanding the radiation environment in geospace and deep space, characterizing the flux of impacting meteors on the far side of the moon, and demonstrating the future deep space exploration scenario using the "deep space port" at Lagrange points. OMOTENASHI, also sponsored by JAXA, will land the smallest lunar lander to date on the lunar surface to demonstrate the feasibility of the hardware for distributed cooperative exploration system. Small landers will enable multi-point exploration, which is complimentary with large-scale human exploration. Once on the lunar surface, the OMOTENASHI spacecraft will observe the radiation and soil environments of the lunar surface by active radiation measurements and soil shear measurements. Following EM-1, Space Launch System will evolve to the more-powerful Block 1B configuration, which uses a new Exploration Upper Stage to increase the vehicle's LEO payload capability from 70 t to 105 t. With that transition, the Orion Stage Adapter, which will carry the secondary payloads on EM-1, will be phased out, and a new Universal Stage Adapter will be introduced, creating opportunities for flying larger secondary payloads. This paper will provide a brief status of SLS progress toward first launch; an overview of smallsat accommodations, integration, and operations on EM-1; information about the specific payloads flying on that launch; and a discussion of future accommodations and opportunities for secondary payloads on SLS for Exploration Mission-2 and beyond.

Robinson, Kimberly F.↗

Characterizing the contribution of bioaerosols diversity from complex aerosol particle samples.

Current global change scenarios expect to significantly increase the contribution of pollen to the total organic aerosol budget. In addition, pollen can burst into smaller fragments that are highly efficient as cloud condensation nuclei. However, current climate models still do not incorporate the effects of these particles due to detection and quantification challenges in complex aerosol mixtures. Chemical biomarkers (i.e. fructose) have commonly been used to trace pollen but this approximation can generate false positive results given the large number of shared compounds between different bioaerosols. A previous pilot EMSL experiment performed on pure pollen samples suggested that using a set of metabolites as a fingerprint of bioaerosols could serve to substantially increase detection accuracy over single biomarker approaches. In this proposal we developed novel bioinformatic strategies to characterize and quantify complex pollen mixtures present in the atmosphere. For that, we used diverse machine learning algorithms to analyze metabolic fingerprints from complex mixtures of different pollen acquired with high-resolution mass spectrometry (Orbitrap Q-Exactive). Our preliminary results demonstrated the potential to accurately discern and identify at specific relative abundances different pollen species in complex mixtures. Our research will lead to a significant advancement in the atmospheric chemistry and provide much needed data to improve the accuracy of climate models.

54 ENVIRONMENTAL SCIENCES↗

In-situ Characterizations of Microstructural Degradation of Perovskite Solar Cells

Rapid progress has been achieved in perovskite solar cells (PSCs), and their efficiencies have improved from 3.8 % to 24.2 % in less than a decade. With low-cost processing, PSCs have shown exciting photovoltaic (PV) properties, such as effective optical absorption, a long carrier lifetime, and unique defect tolerance. While recent studies demonstrated improved stability up to 100 days, PSC technology is still challenged to meet the stringent industry requirements for commercialization. Despite considerable efforts, the underlying physical mechanisms for the inferior stability of PSCs are not well understood. One reason for this divergence is that many established measurement techniques (e.g., quantum efficiency, photoluminescence) probe the properties on length scales far greater than that of electronic and/or structural inhomogeneity (i.e., < 1 μm near grain boundaries) and therefore characterize convoluted and/or averaged properties. Ion/electron beam-based techniques have been extensively used to access the microstructures of PSCs, enabling atomic/nanoscale structural, chemical, optical, and electrical characterizations. For example, focused ion beam (FIB) milling produces an atomically smooth surface that minimizes the artifacts attributed to the surface roughness. FIB techniques can also create a well-defined cross-section of PSCs without mechanical damage in a physical cleaving sample preparation. While powerful, there are some concerns about possible beam damage of inorganic-organic perovskites via chemical-bond breakage and local heating. This project aims to comprehensively understand how the microstructural/interfacial properties of PSCs (e.g., Methylammonium Lead Iodide [MAPbI 3 ]) are modified under the irradiating ion beams. Specifically, we investigate the sub-surface properties of PSCs before and after Ar-ion beam injections. Kelvin probe force microscopy (KPFM) measures the contact potential differences (CPDs). Photoluminescence (PL) microscopy in conjunction with Finite-Difference Time-Domain (FDTD) simulations infers the formation of a “dead layer” (< 15 nm) on the subsurface of MAPbI 3 during Ar+ milling processes while preserving the initial bulk properties. The x-ray photoemission spectroscopy (XPS) confirms this modified surface is a lead-rich and iodine-deficient surface. We initiate customizing in-situ measurement setup while measuring the local optical and electrical properties of PSC under thermal (cooling, heating) and light stressors. Our results provide in-depth knowledge of the ion-beam impact on metal-halide perovskites and how this modified sub-surface impacts their properties under accelerated stressors of light and heat. Intensive Monte Carlo simulations of an electron beam interacting with PSCs provide the beam energy distribution in PSCs, proposing possible measurement conditions of using e-beam with minimizing beam damage. Our in-situ measurement platform can accommodate the diverse architecture of PSC devices for studying deterioration mechanisms under mixed environmental stressors.

14 SOLAR ENERGY↗

Cathodoluminescence of Ultrathin Twisted Ge 1–x Sn x S van der Waals Nanoribbon Waveguides

Ultrathin van der Waals semiconductors have shown extraordinary optoelectronic and photonic properties. Propagating photonic modes make layered crystal waveguides attractive for photonic circuitry and for studying hybrid light-matter states. Accessing guided modes by conventional optics is challenging due to limited spatial resolution and poor out-of-plane far field coupling. Scanning near-field optical microscopy (SNOM) can overcome these issues and can characterize waveguide modes down to tens of nm resolution, albeit for planar samples or nanostructures with moderate height variations. Electron microscopy provides atomic-scale localization also for more complex geometries, and recent advances extended the accessible excitations from interband transitions to phonons. In this work, bottom-up synthesized layered semiconductor (Ge 1-x Sn x S) nanoribbons with axial twist and deep sub-wavelength thickness are demonstrated as a platform for realizing waveguide modes, and cathodoluminescence (CL) spectroscopy is introduced as a tool to characterize them. Combined experiments and simulations show the excitation of guided modes by the electron beam and their efficient detection via photons emitted in the ribbon plane, which enables measuring key properties such as the evanescent field into the vacuum cladding with nanometer resolution. The results identify van der Waals waveguides operating in the infrared and highlight an electron microscopy-based approach for probing complex-shaped nanophotonic structures.

36 MATERIALS SCIENCE↗

The rigorous upscaling of advection-dominated transport in heterogeneous porous media via the Method of Finite Averages

Systems involving advection-dominated transport through heterogeneous porous and fractured media are ubiquitous in subsurface engineering applications. However, upscaling such systems continues to challenge rigorous modeling efforts, particularly when advection is stronger than diffusion at fine spatial scales (i.e., when the Péclet number is greater than one at length scales that characterize a system’s unit-cells, representative elementary volumes, or averaging regions). Here, in this work, we propose and validate a strategy for extending the Method of Finite Averages (MoFA), a rigorous upscaling methodology for heterogeneous porous media, to upscale transport systems experiencing stronger advection than diffusion at fine scales (i.e., fine-scale Péclet numbers greater than one). We detail the strategy, the physical conditions under which it can be applied while retaining a priori modeling error guarantees, and implement the strategy to obtain a MoFA model for advective-diffusive transport that accommodates advective physics at fine spatial scales. We then perform two numerical experiments considering systems with system-scale Péclet numbers of 300 and 1000 — which correspond to fine-scale Péclet numbers of 30 and 100, respectively — to verify that the error guarantees are met under the strategy. After, we conduct a numerical study to demonstrate the strategy’s advantages over the original MoFA methodology. The results suggest that rigorously-upscaled transport models for heterogeneous porous media experiencing advective physics at finer spatial scales can be derived through MoFA and resolved orders of magnitude faster than their pore-scale counterparts. The results also suggest that the presented strategy is limited to modeling shallow concentration gradients when there are large differences between the time scales related to advection and a system’s temporally-varying boundary conditions. This limitation hinders the strategy’s practicality in modeling more advective systems, and as such, opportunity exists for developing additional strategies that accommodate rapidly-varying boundary conditions — and consequentially, steeper concentration gradients — while modeling advective systems with MoFA.

36 MATERIALS SCIENCE↗

CFD modeling of natural circulation in LiCl-KCl molten salt closed loop

Characterizing flow within a molten salt closed-loop system is crucial for assessing system requirements, evaluating performance, and identifying potential flaws. Direct flow measurement using instrumentation is challenging due to extreme environmental conditions and the limitations associated with measuring molten salt flow under natural convection. Here, this study aims to provide comprehensive insights into the thermal-hydraulic behavior of a closed loop, with a particular focus on temperature distribution and velocity prediction. The Computational Fluid Dynamics (CFD) model demonstrated the capability to effectively simulate and predict both temperature distributions and flow velocities within the molten salt loop. The CFD model's predictive capability was validated by its ability to replicate temperature measurements under varying boundary conditions. The analysis revealed that the CFD model tends to underpredict temperatures in the cold leg and overpredict them in the hot leg, highlighting the need for continuous model refinement and acknowledging the limitations of using a steady-state approach. Furthermore, the potential of using external temperature measurements to estimate internal molten salt temperatures and predict flow velocity was explored, revealing that this approach could introduce up to a 5.5% error in flow velocity calculations. Line probes mapping temperature distributions across the tube's cross-section and molten salt provided valuable insights into temperature gradients, emphasizing the need for a thermal conductivity equation for molten salt with lower uncertainty to achieve more accurate temperature predictions of the system.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Synthesis of graphene-like carbon from biomass pyrolysis and its applications

Two-dimensional graphene materials attracted much attention worldwide because of their superior performance in electronic devices, sensors, and energy storage. However, its application is limited by high cost and insufficient production. The work to find out a simple and environmentally friendly process is highly needed. Designed pyrolysis of biomass precursors can derive graphene-like materials. This review summarizes some typical preparation processes for graphene-like materials synthesis from biomass carbonization via pyrolysis, including salt-based activation, template-based confinement, chemical blowing, coupling with hydrothermal carbonization pretreatment, post exfoliation, and some other methods. The operation of these methods and the performance of obtained graphene-like materials were closely highlighted. The scalability of the techniques and the applications of the biomass graphene-like carbon were also discussed. Some advanced characterization methods, such as SEM, TEM, AFM, Raman, and XPS to determine the graphene-like structure and graphitization degree were also discussed. In the end, some current challenges and future perspectives of the synthesis of these graphene-like materials were concluded.

pyrolysis, graphene, biomass, application, scalabi↗

An automated and portable method for selecting an optimal GPU frequency

Power consumption poses a significant challenge in current and emerging graphics processing unit (GPU) enabled high-performance computing systems. In modern GPUs, dynamic voltage frequency scaling (DVFS) appears to be a reliable control to regulate power consumption and performance. However, the DVFS design space is large - hence, brute-force approaches are infeasible to select the optimal frequency. Furthermore, no single frequency can be universally optimal for applications with varying computational intensities. Thus, the application's complexity and the availability of a wide range of frequency settings are a challenge in selecting the optimal frequency configuration for a given GPU workload. To that end, this paper proposes a systematic approach that consists of three steps. The feature characterization study identifies the fine-grain GPU utilization metrics that influence the power consumption and execution time of a given workload. To understand the performance, power, and energy consumption behaviors of a workload across GPU's DVFS design space, we derived analytical power and performance models using the identified fine-grain features. Here, it is shown that the same set of GPU utilization metrics can estimate both the power consumption and execution time while being agnostic of changes to frequency and input sizes. Applying a power control with the single objective of reducing power may cause performance degradation, leading to more energy consumption. A multi-objective approach is proposed to select the optimal GPU DVFS configuration for a workload that reduces power consumption with negligible degradation in performance. The evaluation was conducted using SPEC ACCEL benchmarks and three real applications - NAMD LAMMPS, and LSTM on NVIDIA GV100, GA100, and AMD MI210 GPUs. On average, real applications showed 29.6% energy savings with a performance loss of 5.2% on GA100 and 22.6% energy savings with a performance loss of 4.7% on GV100. Moreover, the proposed models are portable to real applications, GPU architectures, and vendors, and require metric collection at only the default frequency rather than all supported DVFS configurations. Additionally, we conducted a comparison between our models and the GPU assembly instructions (PTX)-based static models. The results revealed a significant reduction in the average error rates, with a decrease from 19.7% to 3.1% for power models and from 29.4% to 5.2% for performance models.

97 MATHEMATICS AND COMPUTING↗

In situ high-temperature Raman spectroscopy for online EAF slag analysis

Real-time monitoring of slag chemistry is critical for optimizing Electric Arc Furnace (EAF) steelmaking operations, where dynamic variations in slag composition directly influence slag foaming, refractory degradation, and thermal efficiency. Conventional techniques such as X-ray fluorescence (XRF), Fourier-transform infrared (FTIR), and scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy (SEM-EDS) are commonly used to analyze slag composition, but their offline nature and equipment constraints limit their applicability for online monitoring in harsh industrial environments. To address this challenge, we present an in situ, high-temperature analytical approach that integrates Raman spectroscopy with a custom designed fiber-optic probe for real-time slag characterization at 1550 °C. The system enables non destructive spectral acquisition from molten slags, providing molecular-level insights into silicate polymerization and iron oxidation states. Eight synthetic slag samples were evaluated, and key Raman features—such as Q n silicate units and FeO₄/FeO₆ coordination environments—were identified and quantitatively correlated with slag basicity and Fe₂O₃ content. The results demonstrate agreement between Raman spectral ratios and bulk slag chemistry, validating the method’s capability to track compositional and structural changes under molten temperature. This work establishes the feasibility of deploying fiber-optic Raman probe for online EAF slag monitoring and highlights their potential to support closed-loop control strategies, thereby enhancing process stability, refractory protection, and steel quality in industrial steelmaking applications.

47 OTHER INSTRUMENTATION↗

Characterizing Density and Spatial Distribution of Trap States in Ta 3 N 5 Thin Films for Rational Defect Passivation

Tantalum nitride (Ta 3 N 5 ) has gained significant attention as a potential photoanode material, yet it has been challenged by material quality issues. Defect-induced trap states are detrimental to the performance of any semiconductor material. Beyond influencing the performance of Ta 3 N 5 films, defects can also accelerate the degradation in water during desired electrochemical applications. Defect passivation has provided an enormous boost to the development of many semiconductor materials but is currently in its infancy for Ta 3 N 5 . This is in part due to a lack of experimental understanding regarding the spatial and energetic distribution of trap states throughout Ta 3 N 5 thin films. Here, we employ drive-level capacitance profiling (DLCP) to experimentally resolve the spatial and energetic distribution of trap states throughout Ta 3 N 5 thin films. The density of deeper energetic traps is found to reach ∼2.5 to 6 × 10 22 cm –3 at the interfaces of neat Ta 3 N 5 thin films, over an order of magnitude greater than the bulk. In addition to the spatial profile of deep trap states, we report neat Ta 3 N 5 thin films to be highly n-type in nature, owning a free carrier density of ∼9.74 × 10 17 cm –3 . This information, coupled with the present understanding of native oxide layers on Ta 3 N 5 , has facilitated the rational design of a targeted passivation strategy that simultaneously provides a means for catalyst immobilization. Loading catalyst via silatrane moieties suppresses the density of defects at the surface of Ta 3 N 5 thin films by two orders of magnitude, while also reducing the free carrier density of films by over one order of magnitude, effectively dedoping the films to ∼2.40 × 10 16 cm –3 . The surface passivation of Ta 3 N 5 films translates to suppressed defect-induced trapping and recombination of photoexcited carriers, as determined through absorption, photoluminescence, and transient photovoltage. Here, this illustrates how developing a deeper understanding of the distribution and influence of defects in Ta 3 N 5 thin films has the potential to guide future works and ultimately accelerate the integration and development of high-performance Ta 3 N 5 thin film devices.

defect passivation↗

Systematic characterization of human gut microbiome-secreted molecules by integrated multi-omics

The human gut microbiome produces a complex mixture of biomolecules that interact with human physiology and play essential roles in health and disease. Crosstalk between micro-organisms and host cells is enabled by different direct contacts, but also by the export of molecules through secretion systems and extracellular vesicles. The resulting molecular network, comprised of various biomolecular moieties, has so far eluded systematic study. Here we present a methodological framework, optimized for the extraction of the microbiome-derived, extracellular biomolecular complement, including nucleic acids, (poly)peptides, and metabolites, from flash-frozen stool samples of healthy human individuals. Our method allows simultaneous isolation of individual biomolecular fractions from the same original stool sample, followed by specialized omic analyses. The resulting multi-omics data enable coherent data integration for the systematic characterization of this molecular complex. Our results demonstrate the distinctiveness of the different extracellular biomolecular fractions, both in terms of their taxonomic and functional composition. This highlights the challenge of inferring the extracellular biomolecular complement of the gut microbiome based on single-omic data. The developed methodological framework provides the foundation for systematically investigating mechanistic links between microbiome-secreted molecules, including those that are typically vesicle-associated, and their impact on host physiology in health and disease.

59 BASIC BIOLOGICAL SCIENCES↗