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At least 1,081 records · Page 60

Artificial intelligence driven laser parameter search: Inverse design of photonic surfaces using greedy surrogate-based optimization

Photonic surfaces designed with specific optical characteristics are becoming increasingly crucial for novel energy harvesting and storage systems. The design of these surfaces can be achieved by texturing materials using lasers. The optimal adjustment of laser fabrication parameters to achieve target surface optical properties is an open challenge. Thus, we develop a surrogate-based optimization approach. Our framework employs the Random Forest algorithm to model the forward relationship between the laser fabrication parameters and the resulting optical characteristics. During the optimization process, we use a greedy, prediction-based exploration strategy that iteratively selects batches of laser parameters to be used in experimentation by minimizing the predicted discrepancy between the surrogate model’s outputs and the user-defined target optical characteristics. This strategy allows for efficient identification of optimal fabrication parameters without the need to model the error landscape directly. We demonstrate the efficiency and effectiveness of our approach on two synthetic benchmarks and two specific experimental applications of photonic surface inverse design targets. By calculating the average performance of our algorithm compared to other state of the art optimization methods, we show that our algorithm performs, on average, twice as well across all benchmarks. Additionally, a warm starting inverse design technique for changed target optical characteristics enhances the performance of the introduced approach.

97 MATHEMATICS AND COMPUTING↗

Assessment of Bulk Oxygen Capacity and Transient Redox Behavior of Foamed Lanthanum Strontium Manganese Perovskites

Synthesis of solar thermochemical hydrogen (STCH) production redox materials with engineered structures, for example, replica foams, can enable efficient heat and mass transport and are critical for scaled-up systems. Prior work has motivated the use of lanthanum strontium manganese (LSM)-type perovskites as foamed STCH materials, but the effect of their morphology on bulk and kinetic behavior has not been reported. In this work, replica and direct foamed samples of La 0.65 Sr 0.35 MnO 3-δ (LSM35) were fabricated and compared to synthesized powders and dense monoliths, and similarly synthesized CeO 2-δ (ceria) foams, regarding their specific reaction rates and bulk oxygen capacity/H 2 yields. Changes in oxygen capacity (Δδ) and reaction rates were measured between 1200 °C and 1400 °C by using fixed ratios of steam and hydrogen during both reduction and oxidation steps, allowing for analysis under practical high conversion conditions. Results suggest bulk behavior and reaction rates of the foamed LSM materials are comparable to their powder analogues. Differences in reaction rates were observed only when replica foamed samples were subjected to rapid laser heating (emulating conditions expected in solar furnaces), which is expected but has not been demonstrated at such a small scale. Here, foamed samples were further subjected to 50 redox cycles at 1400 °C to evaluate their stability. Results show no statistically significant decrease in hydrogen production for any of the foamed samples, but the direct foamed samples became brittle with time. Together, these results demonstrate the viability of replica foamed LSM perovskites for integration in scaled-up STCH systems.

08 HYDROGEN↗

Enhanced Spatial Mapping of Histone Proteoforms in Human Kidney Through MALDI-MSI by High-Field UHMR-Orbitrap Detection

Core histones including H2A, H2B, H3, and H4 are key modulators of cellular repair, transcription, and replication within eukaryotic cells, playing vital roles within the pathogenesis of disease and cellular responses to environmental stimuli. Traditional mass spectrometry (MS) based bottom-up and top-down proteomics allows for the comprehensive identification of proteins and of post-translational modification (PTM) harboring proteoforms. However, these methodologies have difficulties preserving near cellular spatial distributions because they typically require laser capture microdissection (LCM) and advanced sample preparation techniques. Herein, we coupled matrix-assisted laser desorption/ionization (MALDI) source with a Thermo Scientific Q-Exactive HF Orbitrap MS upgraded with ultra-high mass range (UHMR) boards for the first demonstration of complementary high-resolution accurate mass measurements of proteoforms directly from tissue using this benchtop mass spectrometer. The platform achieved isotopic resolution throughout the detected mass range, providing confident assignments of proteoforms with low ppm mass error and a vastly improved duty cycle over other Fourier transform mass analyzers. Proteoform mapping of core histones was demonstrated on sections of human kidney at near-cellular spatial resolution, with several key distributions of histone and other proteoforms noted within both healthy biopsy and a section from a renal cell carcinoma (RCC) containing nephrectomy. Further, the use of MALDI-MS imaging (MSI) for proteoform mapping demonstrates several steps towards high-throughput accurate identification of proteoforms and provides a new tool for mapping biomolecule distributions throughout tissue sections in extended mass ranges.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Impact of Photon Recycling, Grain Boundaries, and Nonlinear Recombination on Energy Transport in Semiconductors

Energy carrier transport and recombination in semiconductors can be directly monitored with optical microscopy, revealing key insights into fundamental photophysics and informs efficient optoelectronic device design. Oftentimes, energy transport is measured by monitoring a time-resolved expanding carrier profile after optical excitation under a focused laser beam. Although this approach has gained widespread adoption, the presence of competing dynamic processes, such as diffusion and photon recycling, has made it difficult to accurately extract and understand important semiconductor properties. Here, we develop and apply a new framework for modeling energy transport in both excitonic and free carrier semiconductors. Here, we demonstrate that processes such as nonlinear recombination and photon recycling can have a significant impact on the apparent energy carrier profiles, especially for excitonic materials with short radiative lifetimes. Additionally, we find that film microstructure can lead to unique transport profiles that strongly depends on material boundary behavior and the difference between feature size and diffusion length. Here, these findings provide a deeper understanding of energy transport in semiconducting materials and provide new strategies for the design and optimization of electronic and optoelectronic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Role of Interfacial Thermal Resistance in Li-Ion Battery Thermal Management: Preprint

Temperature critically affects the performance, life and safety of lithium-ion batteries. Therefore, it is essential to understand heat generation and dissipation within individual battery cells and battery packs to plan a proper thermal management strategy. One of the key challenges is that interfacial heat transfer of a battery unit is difficult to quantify. The steady-state absolute method and the transient laser-flash-diffusivity method were employed to measure heat conductivities of battery layer stacks and individual battery layer separately. Results show flash diffusivity method gives higher thermal conductivity at both cross-plane and in-plane directions. The difference is primarily caused by interfacial thermal resistance so that it can be estimated by steady-state and transient measurements. To investigate the effects of interfacial thermal transport beyond individual cell level, a multiphysics battery model is used. The model is built upon a multi-scale multi-domain modeling framework for battery packs that accounts for the interplay across multiple physical phenomena. Benefits of a battery module using thermal management materials are quantified through numerical experiments. During a thermal runaway event, it is found interfacial thermal resistance can mitigate thermal runaway in a battery module by significantly reducing heat transfer between cells.

33 ADVANCED PROPULSION SYSTEMS↗

Characterization of the Fusion Zone in Laser Beam Welds on SS304L

Designing a welded joint requires consideration of the welding process, component/assembly structure and weld geometry, material composition, properties, and desired joint performance. The designer must also specify a set of acceptance criteria used to evaluate the welds. This study was conducted to support the design team responsible for specifying the spot weld profile by investigating the relationship between weld process parameters and the weld geometry and properties to further inform design optimization. The subjects of this study are two thin stainless steel 304L (SS304L) components joined by Laser Beam Welding (LBW). The components are the Housing, which contains flexible circuitry, and the Cover that protects the circuitry during handling, installation, and under service loads. Figure 1 illustrates coupon versions of the Cover and Housing used to simulate the interface between these components for weld testing. These coupon representations of assembly components were designed to match the material and relevant geometry related to the welded joint while other features not relevant to the welded joint are excluded.The objective of this study was to characterize the sensitivity of the weld geometry and mechanical properties to the input weld parameters to inform further Finite Element Analysis (FEA) efforts in balancing joint strength against assembly deformation caused by the welding process. Characterization was accomplished by varying laser welding parameters around the current design values and measuring weld geometry on the cross-sections. Nanoindentation with a spherical and flat-ended tip was used on polished section cuts of the weld to obtain direct estimates of the stress-strain response of the Fusion Zone (FZ) for comparison to the Base Metal (BM).

42 ENGINEERING↗

Additive Manufacturing for Powering the Blue Economy Applications: A Tidal Turbine Blade Case Study: Preprint

As the marine renewable energy industry continues to expand, innovation in the manufacturing space must grow accordingly to reduce costs and ensure the economic feasibility of new technologies. Additive manufacturing, more commonly known as 3D printing, provides an alternative for rapid prototyping of marine hydrokinetic technologies, particularly supporting Powering the Blue Economy initiatives of the U.S. Department of Energy Water Power Technologies Office. This study explores the application of additive manufacturing in the development of marine hydrokinetic structures, focusing on material and printing method selection, design, and analysis of a 3D-printed spar for an axial-flow tidal turbine blade. Corrosion-resistant metals were deemed ideal due to the loads and harsh marine environment the blade would experience. Laser metal deposition methods were determined to be the most effective and scalable for the considered scale. The designed spar adapts its geometry to the blade - a feature uniquely suited to additive manufacturing - and is intended to serve as the blade's primary structural component. A finite element model was used to study stresses and deformations under loading conditions. The spar was manufactured using 316L stainless steel through direct energy deposition, and defects were assessed and recorded. Future efforts will include mechanical testing of the spar. This research establishes a benchmark process for using additive manufacturing in developing marine hydrokinetic structures, paving the way for future optimization and techno-economic analysis.

additive manufacturing↗

High-temperature chemical expansion of Pr0.1Ce0.9O2-δ thin films determined by Differential Laser Doppler Vibrometry

The chemical expansion of thin-film praseodymium-cerium oxide solid solutions (Pr 0.1 Ce 0.9 O 2-δ , PCO10) is investigated at temperatures ranging from 500 °C to 800 °C and oxygen activities down to about 10 -22 . Differential Laser Doppler Vibrometry (D-LDV) in combination with periodic electrochemical pumping of oxygen is used to detect very small displacements of the sample surface. With decreasing pumping frequency, the film approaches chemical equilibrium, which is nearly reached at 700 °C below 0.01 Hz. D-LDV enables direct measurement of film thickness changes as well as the bending of the underlying substrates due electrochemically induced lateral mechanical stress. The substrate bending is found to be more than an order of magnitude larger than the film thickness change, increasing the detection limit by the same factor. The thickness change of the thin film is calculated from the measured displacement of the sample surface and compared with directly measured values. Thin-film literature data available for low oxygen activities up to 650 °C agree with our measurements. In addition, the thickness change of the film is determined from the displacement at different sample positions, which validates previous measurements. Finally, thin film chemical expansion is found to be larger by a factor of about 2 than the corresponding bulk value in agreement with predictions from a mechanical model that the out-of-plane expansion of a constrained film is increased.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Simultaneous Decomposition and Dewetting of Nanoscale Alloys: A Comparison of Experiment and Theory

In this work, we consider the coupled process of phase separation and dewetting of metal alloys of nanoscale thickness deposited on solid substrates. The experiments involve applying nanosecond laser pulses that melt the Ag40Ni60 alloy films in two setups: either on thin supporting membranes or on bulk substrates. These two setups allow for extracting both temporal and spatial scales on which the considered processes occur. The theoretical model involves a longwave version of the Cahn–Hilliard formulation used to describe spinodal decomposition, coupled with an asymptotically consistent longwave-based description of dewetting that occurs due to destabilizing interactions between the alloy and the substrate, modeled using the disjoining pressure approach. Careful modeling, combined with linear stability analysis and fully nonlinear simulations, leads to results consistent with the experiments. In particular, we find that the two instability mechanisms occur concurrently, with the phase separation occurring faster and on shorter temporal scales. The modeling results show a strong influence of the temperature dependence of relevant material properties, implying that such a dependence is crucial for the understanding of the experimental findings. The agreement between theory and experiment suggests the utility of the proposed theoretical approach in helping to develop further experiments directed toward formation of metallic alloy nanoparticles of desired properties.

36 MATERIALS SCIENCE↗

Epitaxial growth of conducting perovskite SrTiO3 on (0001) c-axis sapphire using a γ-Al2O3 intermediate layer

Epitaxial growth of complex oxides on large-area wafers, such as sapphire and silicon, represents a key step toward scalable oxide device production. Solid phase epitaxy allows the synthesis of γ-Al 2 O 3 on α-Al 2 O 3 and provides a template with a matched lattice constant and appropriate cubic symmetry for subsequent heteroepitaxial growth of perovskite complex oxides. Nb-doped SrTiO 3 thin films were deposited epitaxially on (111)-oriented γ-Al 2 O 3 intermediate layers on (0001) c-axis-oriented sapphire α-Al 2 O 3 crystals using pulsed laser deposition. The Nb:SrTiO 3 thin films with a thickness of 53 nm, grown at 700 °C on γ-Al 2 O 3 , reached fully relaxed lattice parameters and were epitaxially oriented with respect to the substrate. Nb:SrTiO 3 layers deposited using identical deposition conditions directly on α-Al 2 O 3 , without the γ-Al 2 O 3 intermediate layer, were polycrystalline. The sheet conductivity of Nb:SrTiO 3 grown on γ-Al 2 O 3 /α-Al 2 O 3 is more than ten times higher than that of Nb:SrTiO 3 grown directly on α-Al 2 O 3 without the γ-Al 2 O 3 layer. The results point to new directions for the integration of (111)-oriented pseudocubic perovskite complex oxides and the integration of epitaxial complex oxides over larger areas using α-Al 2 O 3 single-crystal substrates.

Atomic force microscopy↗

Surface structure of water from soft X-ray second harmonic generation

The microscopic structure of water’s surface is crucial to many natural and industrial processes, but studying its hydrogen bond (H-bond) network directly remains challenging due to the required interfacial sensitivity of experimental techniques. By leveraging advances in flat liquid sheet microjets and terawatt-scale attosecond soft X-ray pulses from the LCLS X-ray free electron laser, we employed soft X-ray second harmonic generation (SXSHG) spectroscopy to examine the liquid water/vapor interface. SXSHG combines the elemental selectivity of X-ray spectroscopies with the surface selectivity of SHG and gives access to the electronic structure of interfacial species. Here, we show the SXSHG spectrum differs from bulk water’s X-ray absorption, with its peak shifted several eV, indicating a vastly different electronic environment at the interface as compared to the bulk. First-principles electronic structure calculations show the signal is highly sensitive to H-bond interactions, such as water molecules accepting a single H-bond, which are surface abundant.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

What next: Further implosion space exploration on the path to NIF extended yield capability

We present quantitative motivations and assessments of various proposed and ongoing directions to further improving yields and target gain of igniting indirect-drive implosions at the National Ignition Facility (NIF). These include increasing compression and confinement time, improving hohlraum and ablator efficiency, and further increasing peak power and laser energy. 1D hydroscaled simulations, augmented by analytic 1D theory, have been used to project yield improvements for each of these implosion optimization tracks, normalized to the best current performing 4 MJ shot. At current NIF capabilities of 2.2 MJ, 450 TW, we project several paths could reach 15 MJ yield levels. We also expect several key implosion physics questions will be addressed in attempting to reach this yield level. These include demonstrating to what extent lower adiabat designs leading to higher compression will increase gain and efficiency, and whether we can reduce residual kinetic energy and ablator-fuel mix that is probably limiting the current burn-up fraction. For an envisaged NIF upgrade to EL = 3 MJ at fixed 450 TW peak power, scaling capsule size and fuel thicknesses faster than pure hydroscaling should allow for yields that could reach up to 60–80 MJ, depending on the efficiency gains realized in increasing deuterium-tritium fuel thickness, reducing hohlraum losses, and switching to lower Z ablators. The laser-plasma instability and beam transmission scaling in these larger hohlraums is shown to be favorable if the spot size is increased with hohlraum scale.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

RIC Advanced Sensors & Controls FWP: Novel Sensors for Boilers

Overview and brief project update on 3 tasks within the RIC Advanced Sensors & Controls FWP with direct applications to coal fired boiler temperature sensing. Task 32, Field demonstration of distributed temperature measurement with optical fiber for fossil energy power generation applications. Task 47, In-situ temperature measurements via reactive particles. Task 48, Ultrafast laser measurements for power generation environments.

coal boilers↗

A preliminary investigation into the feasibility of laser ablation U–Pb isotope ratio measurement via all‐faraday cup detection with 10 11 ‐ and 10 13 ‐Ω amplifiers on the Neoma multicollector‐inductively coupled plasma‐mass spectrometer

Rationale Signal detection for uranium–lead (U–Pb) dating of zircon is typically performed via ion counters. Here, we develop a preliminary understanding of the strengths and limitations of faraday‐cup‐based detection. Methods A suite of zircon reference materials and the NIST‐610 glass were sampled using laser ablation followed by U–Pb isotope ratio measurement on a Neoma multicollector‐inductively coupled plasma‐mass spectrometer. Results We were able to produce geologically accurate 207 Pb/ 206 Pb, 206 Pb/ 238 U, and 207 Pb/ 235 U ratios for the NIST‐610 glass and the zircon standards, with ages ranging from ~2.5 Ga to ~337 Ma (TanBrown A, Oracle, 91550, Mud Tank, Temora, and Plešovice). Two of the younger zircon standards examined (94‐35, ~55.6 Ma, and Fish Canyon, 28.6 Ma) yielded accurate 206 Pb/ 238 U but not 207 Pb/ 235 U or 207 Pb/ 206 Pb ratios, whereas the youngest zircon standard (Penglai, ~4.4 Ma) failed for all three ratios of interest. The accuracy and precision of the all‐faraday method are directly tied to signal intensity, with reliable data capable of being produced even when both isotopes in a ratio have signals below ~0.001 V (equivalent to ~62 500 cps on an ion counter). Conclusion The all‐faraday cup multicollection method provides sufficient sensitivity to obtain geologically meaningful U–Pb data, with possible advantages being that laser pit depth‐dependent changes in the observed interelemental fractionation behavior may be easier to correct using a static collector configuration compared to when the ion beam is swept across a single detector while also removing the need for an interdetector‐type calibration. Further work is needed to refine the all‐faraday cup method (e.g., application of background subtraction and common Pb corrections, outlier removal, and interelement as well as down‐hole fractionation corrections), but our initial results demonstrate that the faraday detector method has sufficient sensitivity to warrant further study.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Study of magnetic reconnection at low- β using laser-powered capacitor coils

Magnetic reconnection is a ubiquitous fundamental process in space and astrophysical plasmas that rapidly converts magnetic energy into some combination of flow energy, thermal energy, and non-thermal energetic particles. Over the past decade, a new experimental platform has been developed to study magnetic reconnection using strong coil currents powered by high-power lasers at low plasma beta, typical conditions under which reconnection is energetically important in space and astrophysics. KJ-class lasers were used to drive parallel currents to reconnect MG-level magnetic fields in a quasi-axisymmetric geometry, similar to the magnetic reconnection experiment or MRX, and thus this platform is named micro-MRX. This presentation summarizes two major findings from micro-MRX: direct measurement of accelerated electrons and observation of ion acoustic waves during anti-parallel reconnection. The angular dependence of the measured electron energy spectrum and the resulting accelerated energies, supported by particle-in-cell simulations, indicate that direct acceleration by the out-of-plane reconnection electric field is at work. Furthermore, a sudden onset of ion acoustic bursts has been measured by collective Thomson scattering in the exhaust of magnetic reconnection, followed by electron acoustic bursts with electron heating and bulk acceleration. These results demonstrate that the micro-MRX platform offers a novel and unique approach to study magnetic reconnection in the laboratory in addition to the capabilities provided by traditional magnetized plasma experiments such as MRX and the upcoming Facility for Laboratory Reconnection experiments (FLARE). Future prospects to study other particle acceleration mechanisms and ion acoustic waves from magnetic reconnection are also discussed.

79 ASTRONOMY AND ASTROPHYSICS↗

Hard x-ray – optical four-wave mixing using a split-and-delay line

New, hard x-ray free electron lasers (FEL) produce intense femtosecond-to-attosecond pulses at angstrom wavelengths, giving access to the fundamental spatial and temporal scales of matter. These revolutionary light sources open the door to applying the suite of nonlinear, optical spectroscopy methods at hard x-ray photon energies. Nonlinear spectroscopy with hard x-rays can allow for measuring the coherence properties of short wavelength excitations with atomic specificity and for understanding how high energy excitations couple to other degrees of freedom in atomic, molecular or condensed-phase systems. As a step in this direction, here we present hard x-ray, optical four-wave mixing (4WM) measurements done at 9.8 keV at the split-and-delay line at the x-ray correlation spectroscopy (XCS) hutch of the Linac Coherent Light Source (LCLS). In this work, we create an x-ray transient grating (TG) from a pair of crossing x-ray beams and diffract optical laser pulses at 400 nm from the TG. The key technical advance here is being able to independently vary the delays of the x-ray pulses. Measurements were made in 3 different solid samples: bismuth germinate (BGO), zinc oxide (ZnO) and yttrium aluminum garnet (YAG). The resulting phase-matched, 4WM signal is measured in two different ways: by varying the x-ray, x-ray pulse delay which can reveal both material and light source coherence properties and also by varying the optical laser delay with respect to the x-ray TG to study how the x-ray excitation couples to the optical properties. Although no coherent 4WM signal was seen in these measurements, the absence of this signal gives important information on experimental requirements for detecting this in future work. Also, our laser-delay scans, although not a new measurement, were applied to different materials than in past work and reveal new examples x-ray induced lattice dynamics in solids. This work represents a key step towards extending nonlinear optics and time-resolved spectroscopy into the hard x-ray regime.

47 OTHER INSTRUMENTATION↗

Outcomes and Conclusions from the 2022 AM Bench Measurements, Challenge Problems, Modeling Submissions, and Conference

The Additive Manufacturing Benchmark Test Series (AM Bench) provides rigorous measurement data for validating additive manufacturing (AM) simulations for a broad range of AM technologies and material systems. AM Bench includes extensive in situ and ex situ measurements, simulation challenges for the AM modeling community, and a corresponding conference series. In 2022, the second round of AM Bench measurements, challenge problems, and conference were completed, focusing primarily upon laser powder bed fusion (LPBF) processing of metals, and both material extrusion processing and vat photopolymerization of polymers. In all, more than 100 people from 10 National Institute of Standards and Technology (NIST) divisions and 21 additional organizations were directly involved in the AM Bench 2022 measurements, data management, and conference organization. The international AM community submitted 138 sets of blind modeling simulations for comparison with the in situ and ex situ measurements, up from 46 submissions for the first round of AM Bench in 2018. Analysis of these submissions provides valuable insight into current AM modeling capabilities. The AM Bench data are permanently archived and freely accessible online. The AM Bench conference also hosted an embedded workshop on qualification and certification of AM materials and components.

36 MATERIALS SCIENCE↗

Acoustics at the nanoscale (nanoacoustics): A comprehensive literature review. Part II: Nanoacoustics for biomedical imaging and therapy

We report in the past decade, acoustics at the nanoscale (i.e., nanoacoustics) has evolved rapidly with continuous and substantial expansion of capabilities and refinement of techniques. Motivated by research innovations in the last decade, for the first time, recent advancements of acoustics-associated nanomaterials/nanostructures and nanodevices for different applications are outlined in this comprehensive review, which is written in two parts. As part II of this two-part review, this paper concentrates on nanoacoustics in biomedical imaging and therapy applications, including molecular ultrasound imaging, photoacoustic imaging, ultrasound-mediated drug delivery and therapy, and photoacoustic drug delivery and therapy. Firstly, the recent developments of nanosized ultrasound and photoacoustic contrast agents as well as their various imaging applications are examined. Secondly, different types of nanomaterials/nanostructures as nanocarriers for ultrasound and photoacoustic therapies are discussed. Finally, a discussion of challenges and future research directions are provided for nanoacoustics in medical imaging and therapy.

47 OTHER INSTRUMENTATION↗