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At least 847 records · Page 47

Application of a Physics-Informed Convolutional Neural Network for Monitoring the Temperature Fields in High-Temperature Gas Reactors

Here, this work presents current advances in applying a physics-informed convolutional neural network (CNN) to evaluate temperature distributions in advanced reactors. Our goal is to demonstrate that the CNN can reconstruct temperature fields within the solid region of a prismatic fuel assembly in a high-temperature gas reactor (HTGR) with sensor data available in only a few cooling channels. Before that, we showcase the superior performance of the physics-informed CNN in comparison to a purely data-driven multilayer perceptron (MLP), considering a canonical heated channel setup. This analysis shows the advantages of our approach and justifies its choice. The datasets employed here are obtained upon numerical simulations performed with codes under the Nuclear Energy Advanced Modeling and Simulation program. This work is important, as industry experience indicates that the assembly material in HTGR concepts is prone to large thermal-mechanical loads nearing operational limits. This makes it crucial to characterize peak temperatures and their distributions near hot spots. Modern thermocouples are unreliable in these types of harsh environments because of the high neutron fluxes and elevated temperatures involved. The CNN-based field reconstruction represents an attractive solution, enabling sensor arrays in less aggressive locations and augmenting indirect predictions for less accessible regions. The results show that the CNN reduces prediction errors by orders of magnitude in comparison to the MLP, considering the simple yet well-representative heated channel case. In the case of the HTGR fuel assembly, the CNN can successfully reconstruct temperature fields over various cooling regimes. Furthermore, we also explore the algorithm’s ability to detect abnormalities. Interestingly, the CNN proves it has the capacity to detect blockage in one of the noninstrumented cooling channels.

Machine learning↗

Bragg Coherent Imaging of Fluctuating Domains

This review presents two examples of domain dynamics in crystalline solid state samples which were imaged recently with synchrotron X-rays by Bragg Coherent Diffraction methods. Domains are associated with sub-atomic phase shifts in the structure which are revealed by the strong phase contrast associated with Bragg diffraction. At low temperatures, La2-xSrxNiO4 has an antiferromagnetic spin-ordered phase with correlation lengths of 200 nm; its domains are imaged with magnetic Bragg Ptychography to visualize their slow fluctuations. Hydrothermally synthesized nanocrystalline BaTiO3 is found to be made up of ~50 nm domains using Bragg Coherent Diffraction Imaging; electric field induced movement of its internal domain walls is a likely explanation of the nano-material's anomalously large dielectric constant, which is used in the manufacture of multilayer ceramic capacitors

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Fungal social barriers: to fuse, or not to fuse, that is the question

Cell fusion takes place in all domains of life and contributes greatly to the formation of complex multicellular structures. In particular, many fungi, such as the filamentous Neurospora crassa, rely on conspecific somatic cell fusion to drive the unicellular-to-multicellular transition and formation of the interconnected mycelial syncytium. This can, however, lead to the transmission of infectious elements and deleterious genotypes that have a negative impact on the organismal fitness. Accumulating evidence obtained from natural populations suggests that N. crassa has evolved various self/non-self or allorecognition systems to avoid fusion between genetically non-identical spores or hyphae at all costs. Here we present an overview of the recent advances made in the field of fungal allorecognition, describe its genetic basis, and comment on its evolutionary meaning. These data pinpoint the multilayered complexity of the cooperative social behaviors undertaken by a model eukaryotic microbe.

59 BASIC BIOLOGICAL SCIENCES↗

The 20-nm Skyrmion Generated at Room Temperature by Spin-Orbit Torques

The discovery of magnetic skyrmions provides a promising pathway for developing functional spintronic memory and logic devices. Towards the future high-density memory application, nanoscale skyrmions with miniaturized diameters, ideally down to 20 nm are required. Using x-ray magnetic circular dichroism transmission microscopy, nanoscale skyrmions are observed in the [Pt/Co/Ir] 15 multilayer at room temperature. In particular, small skyrmions with minimum diameters approaching 20 nm could be generated by the current-induced spin-orbit torques. Through implementing material specific parameters, the dynamic process of skyrmion generation is further investigated by performing micromagnetic simulations. According to the simulation results, we find that both the tube-like Néel-type skyrmions and the bobber-like Néel-type skyrmions can be electrically generated. In particular, the size of the bobber-like Néel-type skyrmions can be effectively reduced by the spin-orbit torques, which leads to the formation of 20 nm Néel-type skyrmions. In conclusion, our findings could be important for understanding the formation dynamics of nanoscale Néel-type spin textures, skyrmions and bobber in particular, which could also be useful for promoting nanoscale skyrmionic memories and logic devices.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Direct inference of nuclear equation-of-state parameters from gravitational-wave observations

The observation of neutron star mergers with gravitational waves (GWs) has provided a new method to constrain the dense-matter equation of state (EOS) and to better understand its nuclear physics. However, inferring nuclear microphysics from GW observations necessitates the sampling of EOS model parameters that serve as input for each EOS used during the GW data analysis. The sampling of the EOS parameters requires solving the Tolman–Oppenheimer–Volkoff (TOV) equations a large number of times—a process that slows down each likelihood evaluation in the analysis on the order of a few seconds. Here, we employ emulators for the TOV equations built using multilayer perceptron neural networks to enable direct inference of nuclear EOS parameters from GW strain data. Our emulators allow us to rapidly solve the TOV equations, taking in EOS parameters and outputting the associated tidal deformability of a neutron star in only a few tens of milliseconds. We implement these emulators in PyCBC to directly infer the EOS parameters using the event GW170817, providing posteriors on these parameters informed solely by GWs. We benchmark these runs against analyses performed using the full TOV solver and find that the emulators achieve speed ups of nearly two orders of magnitude, with negligible differences in the recovered posteriors. Additionally, we constrain the slope and curvature of the symmetry energy at the 90% upper credible interval to be $L$ sym ≲ 106 MeV and $K$ sym ≲ 26 MeV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Near total reflection x-ray photoelectron spectroscopy: quantifying chemistry at solid/liquid and solid/solid interfaces

Near total reflection regime has been widely used in x-ray science, specifically in grazing incidence small angle x-ray scattering and in hard x-ray photoelectron spectroscopy (XPS). In this work, we introduce some practical aspects of using near total reflection (NTR) in ambient pressure XPS and apply this technique to study chemical concentration gradients in a substrate/photoresist system. Experimental data are accompanied by x-ray optical and photoemission simulations to quantitatively probe the photoresist and the interface with the depth accuracy of ~1 nm. Together, our calculations and experiments confirm that NTR XPS is a suitable method to extract information from buried interfaces with highest depth-resolution, which can help address open research questions regarding our understanding of concentration profiles, electrical gradients, and charge transfer phenomena at such interfaces. Furthermore, the presented methodology is especially attractive for solid/liquid interface studies, since it provides all the strengths of a Bragg-reflection standing-wave spectroscopy without the need of an artificial multilayer mirror serving as a standing wave generator, thus dramatically simplifying the sample synthesis.

solid/solid interface↗

Topological resonance in graphene-like materials

Abstract In topological materials, interacting with short and strong optical pulses, electrons can accumulate a topological phase during the pulse. Such phase can compensate the dynamic phase resulting in topological resonance, which is visible as a large inter-band transfer of electron population. We study theoretically the topological resonance in materials of the gapped multilayer graphene type. We show that the resonance can be observed only in the systems with finite bandgap. For graphene monolayer the topological resonance can occur only in the field of an elliptically polarized pulse, while for graphene systems with many layers the topological resonance can be also realized in a linearly polarized pulse.

Physics↗

Sparse thermal data for cellular automata modeling of grain structure in additive manufacturing

Grain growth in the wake of the melt pool formed during alloy-based additive manufacturing (AM) is complex and multifaceted, depending on parameters governing heat transport, fluid flow, and solidification itself. Cellular automata (CA) models have proven effective in providing computationally efficient and physically sound predictions of grain structure for several AM problems, but their efficiency is tied to the performance of heat transport models. CA models use only a small portion of the problem's temperature data (near the moving melt pool boundary), and much of the CA calculations do not affect the final result due to re-melting of material. Coupling of and communication between heat transport and solidification models, and eliminating operations irrelevant towards final grain structure prediction, will be necessary for using these methods for efficient simulation of large parts. In this work, we introduce a procedure of decoupling the CA from temperature field simulation, using files of relevant temperature data written by the heat transport model. This approach is validated against the standard coupling approach using data obtained through the computational fluid dynamics software OpenFOAM. Negligible differences are seen in grain size, volume, and texture distributions for multilayer simulation of test problems, while the quantity of temperature data for these test problems was reduced by four orders of magnitude (from 100s of GB to 10s of MB) and the code performance sped up by a factor of around 50. Furthermore, variability in microstructure as a function of cell size, substrate, time step, and nucleation parameters is studied, and it is found that cell sizes less than or equal to 1.67 μm and sufficiently small time steps yield Αstatistically equivalent microstructures. Finally, a potential use case for this CA approach—the layer-wise convergence in grain structure starting from extremes in initial grain size—is examined. This approach's ability to simulate expected trends in nucleation and epitaxial grain growth for large regions of microstructure, simulated independently of heat transport models themselves, should prove useful for investigation of various microstructure uncertainties and prediction of part-scale experimental results.

36 MATERIALS SCIENCE↗

Shock-induced twinning/detwinning and spall failure in Cu–Ta nanolaminates at atomic scales

Here, this study provides new insights into the role of interfaces on the deformation and failure mechanisms in shock-loaded Cu–Ta–Cu trilayer system. The thickness of the Ta layer, piston velocities, and shock pulse durations were varied to explore the impact of impedance mismatch and loading conditions on spallation behavior and twin formation. It was found that the interfaces play a crucial role in the dynamic response of these multilayered systems since secondary reflection waves generated at the interfaces significantly affected the peak stress and pressure profiles, influencing void nucleation and failure modes. In the trilayer systems, failure predominantly occurred at interfaces and within the Ta layer, with void nucleation sites and twinning behavior being markedly different compared to single-crystal Cu and Ta. Increasing the Ta layer thickness modified the wave interactions, leading to different failure locations. Higher piston velocities were associated with increased spall strength by enhancing wave interactions and void formation, particularly at the interfaces and within the Ta layer, under specific configurations. Additionally, shorter shock pulse durations facilitated earlier initiation of the release fan, reducing twin formation and altering the failure dynamics by accelerating twin annihilation and pressure release.

36 MATERIALS SCIENCE↗

Dosimetric delivery validation of dynamically collimated pencil beam scanning proton therapy

Pencil beam scanning (PBS) proton therapy target dose conformity can be improved with energy layer-specific collimation. One such collimator is the dynamic collimation system (DCS), which consists of four nickel trimmer blades that intercept the scanning beam as it approaches the lateral extent of the target. While the dosimetric benefits of the DCS have been demonstrated through computational treatment planning studies, there has yet to be experimental verification of these benefits for composite multi-energy layer fields. The objective of this work is to dosimetrically characterize and experimentally validate the delivery of dynamically collimated proton therapy with the DCS equipped to a clinical PBS system. Approach. Optimized single field, uniform dose treatment plans for 3 × 3 × 3 cm 3 target volumes were generated using Monte Carlo dose calculations with depths ranging from 5 to 15 cm, trimmer-to-surface distances ranging from 5 to 18.15 cm, with and without a 4 cm thick polyethylene range shifter. Treatment plans were then delivered to a water phantom using a prototype DCS and an IBA dedicated nozzle system and measured with a Zebra multilayer ionization chamber, a MatriXX PT ionization chamber array, and Gafchromic™ EBT3 film. Main results. For measurements made within the SOBPs, average 2D gamma pass rates exceeded 98.5% for the MatriXX PT and 96.5% for film at the 2%/2 mm criterion across all measured uncollimated and collimated plans, respectively. For verification of the penumbra width reduction with collimation, film agreed with Monte Carlo with differences within 0.3 mm on average compared to 0.9 mm for the MatriXX PT. Significance. We have experimentally verified the delivery of DCS-collimated fields using a clinical PBS system and commonly available dosimeters and have also identified potential weaknesses for dosimeters subject to steep dose gradients.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Applied Machine-Learning Models to Identify Spectral Sub-Types of M Dwarfs from Photometric Surveys

M dwarfs are the most abundant stars in the Solar Neighborhood and they are prime targets for searching for rocky planets in habitable zones. Consequently, a detailed characterization of these stars is in demand. The spectral sub-type is one of the parameters that is used for the characterization and it is traditionally derived from the observed spectra. However, obtaining the spectra of M dwarfs is expensive in terms of observation time and resources due to their intrinsic faintness. We study the performance of four machine-learning (ML) models—K-Nearest Neighbor (KNN), Random Forest (RF), Probabilistic Random Forest (PRF), and Multilayer Perceptron (MLP)—in identifying the spectral sub-types of M dwarfs at a grand scale by deploying broadband photometry in the optical and near-infrared. We trained the ML models by using the spectroscopically identified M dwarfs from the Sloan Digital Sky Survey (SDSS) Data Release (DR) 7, together with their photometric colors that were derived from the SDSS, Two-Micron All-Sky Survey, and Wide-field Infrared Survey Explorer. We found that the RF, PRF, and MLP give a comparable prediction accuracy, 74%, while the KNN provides slightly lower accuracy, 71%. We also found that these models can predict the spectral sub-type of M dwarfs with ~99% accuracy within ±1 sub-type. The five most useful features for the prediction are r - z, r - i, r - J, r - H , and g - z, and hence lacking data in all SDSS bands substantially reduces the prediction accuracy. However, we can achieve an accuracy of over 70% when the r and i magnitudes are available. Since the stars in this study are nearby (d ≲ 1300 pc for 95% of the stars), the dust extinction can reduce the prediction accuracy by only 3%. Finally, we used our optimized RF models to predict the spectral sub-types of M dwarfs from the Catalog of Cool Dwarf Targets for the Transiting Exoplanet Survey Satellite, and we provide the optimized RF models for public use.

79 ASTRONOMY AND ASTROPHYSICS↗

Real-time capable modeling of ICRF heating on NSTX and WEST via machine learning approaches

Abstract A real-time capable core Ion Cyclotron Range of Frequencies (ICRF) heating model on NSTX and WEST is developed. The model is based on two nonlinear regression algorithms, the random forest ensemble of decision trees and the multilayer perceptron neural network. The algorithms are trained on TORIC ICRF spectrum solver simulations of the expected flat-top operation scenarios in NSTX and WEST assuming Maxwellian plasmas. The surrogate models are shown to successfully capture the multi-species core ICRF power absorption predicted by the original model for the high harmonic fast wave and the ion cyclotron minority heating schemes while reducing the computational time by six orders of magnitude. Although these models can be expanded, the achieved regression scoring, computational efficiency and increased model robustness suggest these strategies can be implemented into integrated modeling frameworks for real-time control applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Property Variations in Modern REBCO Coated Conductors from Multiple Manufacturers

The complex, multilayer structure of REBCO Coated Conductor (CC) poses significant challenges in the fabrication of high magnetic field devices where large stresses may initiate various forms of damage. Our goal is to peer below the cartoon representations of CC so that, amongst other things, we might better understand whether a CC from one manufacturer is interchangeable with that from another. This involves knowledge of a broad range of electromagnetic, geometric, microstructural, and J c (θ,B,T) properties, and their variations that collectively pose challenges for the fault tolerance of REBCO CC devices. Accordingly, comparative measurements of J c , visualization of flux penetration with Magneto-Optical Imaging (MOI), tape geometry from Scanning Electron Microscopy (SEM) of polished cross-sections, and extensive optical microscopy was performed on recently purchased samples from multiple manufacturers. Our analyses reveal many deviations from or characteristics absent from manufacturers’ specifications, while a comparison of different manufacturers’ mechanically and laser slit tapes shows a diverse array of slitting characteristics amongst the manufacturers and variation in properties those made to the same specification. Laser slit tapes from several manufacturers reveal ablated edges with damaged regions extending up to 50 μm, comparable to the damaged region found in the mechanically slit CC of this study. Overall, the aim of this study is to flesh out appropriate ways to understand the real conductor below the manufacturers’ cartoons to avoid surprises in our REBCO CC coil development program. The goal of this work was to perform a broad array of characterizations of the type needed for validation of purpose for making high field magnets: to our surprise we found a wide range of properties which greatly impact the mechanical strength and electromagnetic performance of solenoids composed of these conductors and reinforced the need for a broad characterization program for each conductor prior to its implementation.

Bradford, G.↗

Epitaxial growth of monolayer PdTe 2 and patterned PtTe 2 by direct tellurization of Pd and Pt surfaces

Two-dimensional (2D) palladium ditelluride (PdTe 2 ) and platinum ditelluride (PtTe 2 ) are two Dirac semimetals, which have fascinating quantum properties such as superconductivity, magnetism and topological order and show the promising applications in future nanoelectronics and optoelectronics. However, the synthesis of PdTe 2 and PtTe 2 monolayers (MLs) is hindered by a strong interlayer coupling and orbital hybridization. Here, in this study, we demonstrate an efficient synthesis of PdTe 2 and PtTe 2 MLs Large-area and high quality MLs of PdTe 2 and patterned PtTe 2 were epitaxially grown on the Pd(111) and Pt(111) surfaces by direct telurization in ultra-high vacuum. This was confirmed by x-ray photoelectron spectroscopy, low energy electron diffraction and scanning tunnelling microscopy. PdTe 2 ML demonstrated high thermal stability showing no decomposition sign after annealing at 470 °C. A well-ordered (2 × 2) PtTe 2 structure with Kagome lattice was observed on Te/Pt(111) surface following annealing at 200 °C in UHV, where the (2 × 2) pattern was formed by Te atom vacancies. PtTe 2 multilayer film was prepared as well, and it demonstrated the excitation of the Dirac plasmons as measured by high-resolution electron energy loss spectroscopy. The direct tellurization offers the simple and reliable protocol for the preparation of the ML of PdTe 2 and patterned PtTe 2 , and this opens new opportunities for quantum phenomena research and for practical optoelectronics applications.

2D materials↗

Proximity-enhanced valley Zeeman splitting at the WS 2 /graphene interface

The valley Zeeman physics of excitons in monolayer transition metal dichalcogenides provides valuable insight into the spin and orbital degrees of freedom inherent to these materials. Being atomically-thin materials, these degrees of freedom can be influenced by the presence of adjacent layers, due to proximity interactions that arise from wave function overlap across the 2D interface. Here, we report 60 T magnetoreflection spectroscopy of the A- and B- excitons in monolayer WS 2 , systematically encapsulated in monolayer graphene. While the observed variations of the valley Zeeman effect for the A- exciton are qualitatively in accord with expectations from the bandgap reduction and modification of the exciton binding energy due to the graphene-induced dielectric screening, the valley Zeeman effect for the B- exciton behaves markedly different. We investigate prototypical WS 2 /graphene stacks employing first-principles calculations and find that the lower conduction band of WS 2 at the <?CDATA $K/K^{^{\prime}}$?> K / K ′ valleys (the <:tex-math><?CDATA $\mathrm{CB}^-$?> C B − band) is strongly influenced by the graphene layer on the orbital level. Specifically, our detailed microscopic analysis reveals that the conduction band at the Q point of WS 2 mediates the coupling between <?CDATA $\mathrm{CB}^-$?> C B − and graphene due to resonant energy conditions and strong coupling to the Dirac cone. This leads to variations in the valley Zeeman physics of the B- exciton, consistent with the experimental observations. Our results therefore expand the consequences of proximity effects in multilayer semiconductor stacks, showing that wave function hybridization can be a multi-step energetically resonant process, with different bands mediating the interlayer interactions. Such effects can be further exploited to resonantly engineer the spin-valley degrees of freedom in van der Waals and moiré heterostructures.

36 MATERIALS SCIENCE↗

Giant resistance switch in twisted transition metal dichalcogenide tunnel junctions

Resistance switching in multilayer structures are typically based on materials possessing ferroic orders. Here, in this work, we predict an extremely large resistance switching based on the relative spin–orbit splitting in twisted transition metal dichalcogenide (TMD) monolayers tunnel junctions. Because of the valence band spin splitting which depends on the valley index in the Brillouin zone, the perpendicular electronic transport through the junction depends on the relative reciprocal space overlap of the spin-dependent Fermi surfaces of both layers, which can be tuned by twisting one layer. Our quantum transport calculations reveal a switching resistance larger than 10 6 % when the relative alignment of TMDs goes from 0° to 60° and when the angle is kept fixed at 60° and the Fermi level is varied. By creating vacancies, we evaluate how inter-valley scattering affects the efficiency and find that the resistance switching remains large (10 4 %) for typical values of vacancy concentration. Not only should this resistance switching be observed at room temperature due to the large spin splitting, but our results also show how twist angle engineering and control of van der Waals heterostructures could be used for next-generation memory and electronic applications.

36 MATERIALS SCIENCE↗

Twists and turns: stacking and structure-dependent optical response in MoS 2 nanoscrolls

Transition metal dichalcogenide (TMD) nanoscrolls (NSs), specifically MoS 2 NSs, present unique structural and optical properties, exhibiting prominent photoluminescence (PL) signals despite their multilayer nature. Here, this study investigates the structural and spectroscopic characteristics of MoS 2 NSs, correlating them to show the effects of reduced interlayer interactions on excitons of MoS 2 NSs. The reduction in interlayer interaction arises from two main factors: (1) symmetry-broken mixed stacking due to misalignment between layers and (2) a highly inhomogeneous strain profile generated by the Archimedean spiral geometry with positive eccentricity. Transmission electron microscopy, field emission scanning electron microscopy, atomic force microscopy, Raman spectroscopy, and second harmonic generation measurements confirm these findings. Low-temperature PL spectroscopy explores the impact of reduced interlayer interactions on exciton properties such as exciton–phonon coupling and oscillator strength. This study provides crucial insights into the structure, stacking and unique optical properties of TMD NSs, advancing the understanding of interlayer interactions and their impacts in complex quasi-one-dimensional nanostructures.

25 ENERGY STORAGE↗

Restoration of weak localization in bilayer graphene by a molecular thin film

Quantum coherent effects can be probed in multilayer graphene through electronic transport measurements at low temperatures. In particular, bilayer graphene (BLG) is known to be susceptible to quantum interference corrections of the conductivity, presenting weak localization at all electronic densities, and dependent on different scattering mechanisms such as those related to the trigonal warping of the electron dispersion near the K and K′ valleys. Proximity effects with a molecular thin film influence these scattering mechanisms, which can be quantified through the known theory of magnetoconductance for BLG. Here, we present electronic transport measurements in a copper-phthalocyanine (CuPc) / BLG / hexagonal boron nitride (h-BN) heterostructure that suggest the restoration of weak localization in BLG, associated to a reduction of trigonal warping effects, that are known to suppress weak localization in BLG. Additionally, we observe a charge transfer of 3.6×10 12 cm −2 from the BLG to the molecules, as well as a very small degradation of the mobility of the BLG/h-BN heterostructure upon the deposition of CuPc. The molecular arrangement of the CuPc thin film is characterized in a control sample through transmission electron microscopy, that we relate to the electronic transport results.

bilayer graphene↗