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At least 649 records · Page 36

Domain Wall Patterning and Giant Response Functions in Ferrimagnetic Spinels

Abstract The manipulation of mesoscale domain wall phenomena has emerged as a powerful strategy for designing ferroelectric responses in functional devices, but its full potential is not yet realized in the field of magnetism. This work shows a direct connection between magnetic response functions in mechanically strained samples of Mn 3 O 4 and MnV 2 O 4 and stripe‐like patternings of the bulk magnetization which appear below known magnetostructural transitions. Building off previous magnetic force microscopy data, a small‐angle neutron scattering is used to show that these patterns represent distinctive magnetic phenomena which extend throughout the bulk of two separate materials, and further are controllable via applied magnetic field and mechanical stress. These results are unambiguously connected to the anomalously large magnetoelastic and magnetodielectric response functions reported for these materials, by performing susceptibility measurements on the same crystals and directly correlating local and macroscopic data.

36 MATERIALS SCIENCE↗

Investigation of Raster Pattern Spacing and Direction for Friction Stir Additive Manufacturing of Al-5083

Friction stir additive manufacturing (FSAM) is a sheet-lamination based additive manufacturing technique. In addition to the traditional factors that govern the friction stir process-structure-property relationship, the processing history is convoluted by the in-plane raster pattern and repeated thermal cycling from subsequent layers. This can lead to complex thermal gradients within the workpiece and reprocessing of material. Here, this work aims to understand the impact of raster pattern spacing and direction on the microstructure and properties during friction stir additive manufacturing of Al-5083. Control of the raster spacing can lead to an increase in hardness of up to 18% from the base material and defect-free joining. These results are then directly demonstrated at the component-scale for FSAM of Al-5083.

36 MATERIALS SCIENCE↗

Application and evaluation of a pattern-based building energy model calibration method using public building datasets

Building performance simulation has been adopted to support decision making in the building life cycle. An essential issue is to ensure a building energy simulation model can capture the reality and complexity of buildings and their systems in both the static characteristics and dynamic operations. Building energy model calibration is a technique that takes various types of measured performance data (e.g., energy use) and tunes key model parameters to match the simulated results with the actual measurements. This study performed an application and evaluation of an automated pattern-based calibration method on commercial building models that were generated based on characteristics of real buildings. A public building dataset that includes high-level building attributes (e.g., building type, vintage, total floor area, number of stories, zip code) of 111 buildings in San Francisco, California, USA, was used to generate building models in EnergyPlus. Monthly level energy use calibrations were then conducted by comparing building model results against the actual buildings' monthly electricity and natural gas consumption. The results showed 57 out of 111 buildings were successfully calibrated against actual buildings, while the remaining buildings showed opportunities for future calibration improvements. Enhancements to the pattern-based model calibration method are identified to expand its use for: (1) central heating, ventilation and air conditioning (HVAC) systems with chillers, (2) space heating and hot water heating with electricity sources, (3) mixed-use building types, and (4) partially occupied buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Domain patterns and super-elasticity of freestanding BiFeO 3 membranes via phase-field simulations

Super-elasticity of functional ferroelectric oxides offers promises for integrating ferroelectric films into flexible electronics. However, super-elastic deformation is a complex phenomenon related to possibly multiple concurrent mechanisms. Fundamentally understanding how multiple mechanisms contribute to the super-elasticity of ferroelectric oxides is crucial to realizing their potential flexible electronic applications. In this study, we employ phase-field simulations to model the dynamics of ferroelectric domain patterns of freestanding BiFeO 3 membranes to understand the origin of their super-elasticity under substantial bending deformation (5% strain). It is demonstrated that both a reversible Rhombohedral-Tetragonal (R-T) phase transition and a nearly reversible domain evolution of BiFeO 3 membranes contribute to accommodating the large deformation and thus their super-elasticity. The dynamics of domain evolution also reveal the formation of an exotic ferroelectric vortex and polarization rotation before the phase transition. We constructed a diagram of phases and domain patterns as a function of the membrane thickness and bending angle, which allows one to readily predict the emergence of T phase and ferroelectric vortex in bent BFO membranes. These results not only provide fundamental understanding of mesoscale super-elastic mechanisms but also reveal exotic domain states of ferroelectric membranes.

36 MATERIALS SCIENCE↗

Emergence of complex-regular eutectic patterns in Al–Ge: Observations from correlative nano-imaging

Eutectic solidification exemplifies nonequilibrium pattern formation, making it a well-studied moving boundary problem. Yet the mechanisms behind the formation of complex-regular microstructures – particularly in highly anisotropic systems with a significant volume fraction of a faceted phase – remain poorly understood. Our understanding of such systems is made complicated by the nonlinear interface kinetics and unique growth dynamics characteristic of faceted phases. To address these challenges, we investigate a model Al–Ge eutectic system, where the faceted Ge phase constitutes a substantial volume fraction (~0.35) and where the two solid phases arrange into so-called “fishbone” or “feather” complex-regular patterns. Using synchrotron-based x-ray nano-imaging and nanotomography with high spatial resolution (22 nm per pixel), we capture in real-time the evolution of the solid–liquid interfaces and the resulting three-dimensional microstructures in this faceted/non-faceted eutectic system. By integrating these observations with electron backscattered diffraction, we elucidate the crystallographic biases on the solidification process and the mechanisms driving the formation of such complex-regular microstructures. These findings inform a new growth model for irregular eutectics in (near-)symmetrical phase diagrams, offering insight on advanced microstructural design and processing strategies. More broadly, we demonstrate how interfacial curvature is generated in irregular eutectic alloys and how it depends on the volume fraction of the faceted phase.

36 MATERIALS SCIENCE↗

Self-aligned concentrating immersion-lens arrays for patterning and efficiency recovery in scaffold-reinforced perovskite solar cells

In contrast to existing silicon, CIGS, and multi-junction cells that exhibit remarkable mechanical durability, perovskite solar cells have been shown to delaminate when subjected to the mechanical loads that occur during processing and field exposures, limiting their potential as a reliable solar technology. Mechanical reinforcement is thus essential for durable and reliable perovskite technologies. One current strategy to overcome the thermomechanical fragility of perovskite solar cells is to extrinsically shield them by introducing reinforcing scaffolds which partition the cell into many distinct microcells, but improvements in mechanical stability coincide with a reduced device efficiency due to parasitic absorption by the scaffold. We address this reduced efficiency by integrating concentrating immersion-lens arrays (CILAs) into scaffold-reinforced solar cells. These scaffolds are lithographically patterned by a maskless process, in which ultraviolet light is used to pattern the scaffolds through the CILAs, ensuring self-alignment and optical contact with the microcells. Perovskite devices are deposited into the microcells, and during operation, light is concentrated into the microcells and away from the insulating scaffolds, resulting in mechanically resilient solar cells with efficiencies comparable to planar devices. The CILAs also exhibit passive tracking of incident light—verified experimentally and with ray-tracing simulations—which is critical for optimal power output as the sun moves across the sky during the day. The simplicity of the fabrication process and the efficiency of the resulting scaffolded devices show that a lens-integrated scaffold-reinforced structure is a potential pathway to high-performance, robust, commercially viable perovskite solar cells.

14 SOLAR ENERGY↗

Interpretation of wide-angle x-ray diffraction patterns from mesophase pitch-based carbon fibers – a simulation and experimental study

Carbon fiber is a critical material in a wide range of industries, where it is highly valued for its high specific strength/stiffness, excellent wear resistance, efficient electrical and thermal transport properties, chemical resistance, and low coefficient of thermal expansion. The properties of a specific carbon fiber are closely tied to its structural characteristics at all length scales. Here, in this work, we applied wide-angle x-ray diffraction to a set of heat-treated mesophase pitch-based carbon fibers, with the goal of elucidating the crystalline structures as a function of fiber orientation. To assist with analysis and interpretation of the experimental data, we employed diffraction pattern simulations using the scalar and vector forms of the Debye scattering equation to determine the influence of basal plane orientation, crystalline ordering (turbostratic-graphitic), and basal plane asymmetry on the diffraction patterns. The results presented here suggest that growth of the transverse crystallites in mesophase pitch-based carbon fiber is fixed until graphitization temperatures are reached. The work completed here provides a framework for the analysis of carbon fiber and other oriented carbon-based materials via diffraction.

36 MATERIALS SCIENCE↗

Cataloging US state policy patterns towards microgrid deployment

Frequent extreme weather events have called for rigorous and timely efforts for alternative non-wire solutions. These efforts are getting more widespread to offer a perfect alternative as the conventional grid becomes progressively less resilient. One of these solutions is microgrids that can disconnect from the grid and offer grid resilience during an outage. While this technology is still finding its footing in the industry, states across the US are employing policy patterns and forms of instruments to support its deployment. This study includes a systemic review of the US by conducting a binary analysis of all 50 states (including Washington D.C, excluding other US territories) using seven variables. The results show four major policy approaches to microgrids: i) supporting microgrids through a definitive legislative activity leading to further policy action; ii) direct efforts from the public utilities commissions without a concrete legislative push; iii) initiatives from institutions other than the commissions; and lastly, iv) self-initiated community and private consumer efforts. The results help understand what policy instruments are being used in each of these patterns to support this niche technology that still faces regulatory challenges.

Furqan, Maham↗

In-depth analysis on parallel processing patterns for high-performance Dataframes

The Data Science domain has expanded monumentally in both research and industry communities during the past decade, predominantly owing to the Big Data revolution. Artificial Intelligence (AI) and Machine Learning (ML) are bringing more complexities to data engineering applications, which are now integrated into data processing pipelines to process terabytes of data. Typically, a significant amount of time is spent on data preprocessing in these pipelines, and hence improving its efficiency directly impacts the overall pipeline performance. The community has recently embraced the concept of Dataframes as the de-facto data structure for data representation and manipulation. However, the most widely used serial Dataframes today (R, pandas) experience performance limitations while working on even moderately large data sets. We believe that there is plenty of room for improvement by taking a look at this problem from a high-performance computing point of view. In a prior publication, we presented a set of parallel processing patterns for distributed dataframe operators and the reference runtime implementation, Cylon. In this paper, we are expanding on the initial concept by introducing a cost model for evaluating the said patterns. Furthermore, we evaluate the performance of Cylon on the ORNL Summit supercomputer.

97 MATHEMATICS AND COMPUTING↗

The physics of desiccation cracks 2: Modeling and prediction of the crack patterns

Here, this paper extends the experimental results of our companion paper by modeling and predicting the onset and pattern formation of desiccation cracks in geomaterials (Ruoyu et al., 2023). Thin-layer silt samples in controlled atmospheric conditions were tested to obtain the surface strain maps with the digital image correlation (DIC) method during dehydration. Support experiments, including consolidation and displacement-controlled triaxial tests, were conducted for the properties of geomaterials. These experimental results were used to validate a viscoplastic theoretical model by comparing cracks and singularities locations that distribute following the Cnoidal wave pattern. A critical value exists in the viscoplastic model that determines the number of singularities, which accurately predicts the number of cracks in the experiment. The critical values contain two crucial parameters: rate sensitivity and λ. Rate sensitivity describes the rate-dependent stress–strain relation, while λ shows the ability of pore pressure redistribution under the external mechanical loading rate. These results provide a new view to analyze the desiccation cracks considering the rate-dependent viscoplasticity.

42 ENGINEERING↗

Variation in Proton Craniospinal Irradiation Practice Patterns in the United States: A Pediatric Proton Consortium Registry (PPCR) Study

Craniospinal irradiation (CSI) is commonly used for pediatric brain tumors with a propensity for spread in craniospinal fluid, principally medulloblastoma. Evolving technology has led to the use of highly conformal radiation therapy (RT) techniques for CSI, including proton therapy. Target delineation and plan coverage are critical for CSI, but there is ongoing controversy and variability in these realms, with little available data on practice patterns. We sought to characterize proton CSI practice patterns in the United States by examining CSI plans in the Pediatric Proton/Photon Consortium Registry (PPCR).

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Modeling the microplastic distribution along the Delaware River Estuary: Accumulation patterns and hydrodynamic influences

Microplastic pollution is an escalating environmental concern, particularly in densely populated estuary regions, where it poses significant threats to aquatic life and human health. The dispersion patterns of microplastic particles along estuaries are influenced and complicated by multiple environmental factors such as river flow, tidal mixing, salt intrusion, and estuarine circulation. This study examines the accumulation and dispersion patterns by modeling three typical classes of microplastics in the Delaware River Estuary: synthetic fibers, sinking plastic films, and rising plastic pellets. Our findings reveal specific areas with high microplastic accumulation for each type. Notably, the upper estuary regions exhibit significant retention of rising microplastics, associated with a region with reduced along-thalweg velocities downstream of Trenton, NJ and upstream of Philadelphia, PA. Conversely, synthetic fibers and sinking plastic films accumulate in the flow convergence zone near the bottom salinity front, typically downstream of Philadelphia. All of the microplastic accumulation hot spot locations are controlled by the balance of river discharge and salinity intrusions. During the dry season, microplastic accumulation hot spots shift upstream in the estuary, whereas in the wet season, the strong river discharge pushes them downstream. Furthermore, on the other hand, tidal mixing, settling, and resuspension processes strongly impact the spreading of microplastics along the river.

Delaware River Estuary↗

Selective patterning of out-of-plane piezoelectricity in MoTe 2 via focused ion beam

Two-dimensional transition-metal dichalcogenides (TMDs) have a strain-sensitive nature and can only exhibit in-plane piezoelectricity, owing to their in-plane inversion symmetry breaking, which limits their practical applications for vertical stimulations. Here, we demonstrated the capability of focused ion beams to create out-of-plane piezoelectricity on multi-layered MoTe 2 . We utilized a focused helium ion beam to selectively pattern the out-of-plane piezoelectricity via defect engineering in a layered MoTe 2 flake. The generated out-of-plane piezoelectricity in the desired area was quantitatively examined using atomic force microscopy, and ion beam irradiation-induced defect formation that gave rise to inversion symmetry breaking was confirmed. These results indicated that the out-of-plane piezoelectricity can be selectively patterned through a focused helium ion beam, and it is expected that this approach can also be applied to other classes of TMDs and can expand the application fields of TMD-based devices.

36 MATERIALS SCIENCE↗

Fabrication of surrogate oxide spent fuel with various cracking patterns and design of an axial gas transport apparatus

In this article, understanding gas transport behavior in nuclear fuel rods is important for the design, performance, and safety of nuclear fuels. Surrogate materials help enable efficient research by reducing both the costs and the amount of time required. A parametric study using Darcy’s law is completed that demonstrates the feasibility of observing pressure decay over short 13-to-15-cm specimens to enable full characterization of the fabricated specimens using x-ray computed tomography. This paper demonstrates that thermally shocked and mechanically compressed alumina pellets produce surrogate samples whose various cracking patterns are representative of the severity of cracking observed as a function of burnup in irradiated nuclear fuels. Furthermore, image analyses of the cracking patterns—in conjunction with gas transport testing using surrogate samples—affords a valuable accelerated basis for developing gas transport simulations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Differential localization patterns of pyruvate kinase isoforms in murine naïve, formative, and primed pluripotent states

Highlights: • PKM1/2 protein abundance is greater in formative mEpiLCs compared to naïve mESCs or primed mEpiSCs. The ratio of PKM1/2 is maintained. • PKM1/2 are localized in both nuclear and cytoplasmic regions relative to GAPDH and OCT4 across the pluripotent continuum. • PKM1 localization is strongly correlated to OCT4 localization, and moderately to GAPDH in formative mEpiLCs. • PKM1/2 localization is moderately correlated to OCT4 and GAPDH localization in naïve mESCs. • PKM1/2 localization are moderately correlated to GAPDH localization in primed mEpiSCs. Mouse embryonic stem cells (mESCs) and mouse epiblast stem cells (mEpiSCs) represent opposite ends of the pluripotency continuum, referred to as naïve and primed pluripotent states, respectively. These divergent pluripotent states differ in several ways, including growth factor requirements, transcription factor expression, DNA methylation patterns, and metabolic profiles. Naïve cells employ both glycolysis and oxidative phosphorylation (OXPHOS), whereas primed cells preferentially utilize aerobic glycolysis, a trait shared with cancer cells referred to as the Warburg Effect. Until recently, metabolism has been regarded as a by-product of cell fate, however, evidence now supports metabolism as being a driver of stem cell state and fate decisions. Pyruvate kinase muscle isoforms (PKM1 and PKM2) are important for generating and maintaining pluripotent stem cells (PSCs) and mediating the Warburg Effect. Both isoforms catalyze the final, rate limiting step of glycolysis, generating adenosine triphosphate and pyruvate, however, the precise role(s) of PKM1/2 in naïve and primed pluripotency is not well understood. The primary objective of this study was to characterize the cellular expression and localization patterns of PKM1 and PKM2 in mESCs, chemically transitioned epiblast-like cells (mEpiLCs) representing formative pluripotency, and mEpiSCs using immunoblotting and confocal microscopy. The results indicate that PKM1 and PKM2 are not only localized to the cytoplasm, but also accumulate in differential subnuclear regions of mESC, mEpiLCs, and mEpiSCs as determined by a quantitative confocal microscopy employing orthogonal projections and airyscan processing. Importantly, we discovered that the subnuclear localization of PKM1/2 changes during the transition from mESCs, mEpiLCs, and mEpiSCs. Finally, we have comprehensively validated the appropriateness and power of the Pearson's correlation coefficient and Manders's overlap coefficient for assessing nuclear and cytoplasmic protein colocalization in PSCs by immunofluorescence confocal microscopy. We propose that nuclear PKM1/2 may assist with distinct pluripotency state maintenance and lineage priming by non-canonical mechanisms. These results advance our understanding of the overall mechanisms controlling naïve, formative, and primed pluripotency.

60 APPLIED LIFE SCIENCES↗

Self-Patterning Tetrathiafulvalene Crystalline Films

Tetrathiafulvalene (TTF) crystals grown from the melt are organized as spherulites in which helicoidal fibrils growing radially from the nucleation center twist in concert with one another. Alternating bright and dark concentric bands are apparent when films are viewed between crossed polarizers, indicating an alternating pattern of crystallographic faces exposed at the film surface. Band-dependent reorganization of the TTF crystals was observed during exposure to methanol vapor. Crystalline growth appears on bright bands at the expense of the dark bands. After a 24 h period of exposure to methanol vapor, the original spherulites were completely restructured, and the films comprise isolated, concentric circles of crystallites whose orientations are determined by the initial TTF crystal fibril orientation. While the surface of these outgrowths appears faceted and smooth, cross-sectional SEM images revealed a semiporous inner structure, suggesting solvent-vapor-induced recrystallization. Collectively, these results show that crystal twisting can be used to rhythmically redistribute material. Crystal twisting is a common and often controllable phenomenon independent of molecular or crystal structure and therefore offers a generalizable path to spontaneous pattern formation in a wide range of materials.

36 MATERIALS SCIENCE↗

The Role of Ligand–Ligand Interactions in Multimodal Ligand Conformational Equilibria and Surface Pattern Formation

Multimodal chromatography uses multiple modes of interaction such as charge, hydrophobic, or hydrogen bonding to separate proteins. Recently, we used molecular dynamics (MD) simulations to show that ligands immobilized on surfaces can interact and associate with neighboring ligands to form hydrophobic and charge patches, which may have important implications for the nature of protein–surface interactions. Here, we study interfacial systems of increasing complexity—from a single immobilized multimodal ligand to high density surfaces—to better understand how ligand behavior is affected by the presence of a surface and the presence of other ligands in the vicinity, and how this behavior scales to larger systems. Furthermore, we find that tethering a ligand to a surface restricts its conformations to a subset of those observed in free solution, yet the ligand maintains flexibility in the plane of the surface and can form contacts with neighboring ligands. We find that although the formation of a contact between two neighboring ligands is slightly unfavorable, three neighboring ligands exhibit a preference for the formation of a fully connected cluster. To explore how these trends in ligand association extend to a larger surface with high density of ligands, we performed coarse-grained Monte Carlo (MC) simulations of a 132-ligand surface using ligand interactions parametrized based on free energies obtained from the three-ligand MD simulations. Despite their simplicity, the coarse-grained simulations qualitatively capture the cluster size distribution of ligands observed in detailed MD simulations. Quantitative differences between the two suggest opportunities for improvements in the coarse-grained energy function for efficient predictions of cluster and pattern formations. Our approach presents a promising route to the engineering of multimodal patterns for future chromatographic resin design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Stretching and Bending Moduli of Bilayer Films Inferred from Wrinkle Patterns

Wrinkling patterns were used to investigate the mechanical properties of thin poly­(styrene) (PS)/poly­(methyl methacrylate) (PMMA) and PS/gold (Au) bilayer films. Films were floated on water with a water drop on the surface to induce wrinkling. The thicknesses and thickness ratios of the films were varied over a broad range. The PS/PMMA bilayer was chosen to provide a contrast in wetting properties, with equilibrium contact angles of θPMMA = 68° and θPS = 88° with water. The PS/Au bilayer was chosen to provide a large contrast in Young’s moduli, E Au = 72 GPa and E PS = 3.4 GPa. The stretching (Y) and bending (B) moduli of the bilayer films were obtained from measurements of the length and number of wrinkles in the wrinkle patterns. The experimentally derived values of Y and B were in reasonable agreement with the values computed from the bulk Young’s moduli and the thicknesses of the two components in the bilayer. The values of Y and B did not depend on which face of the film was exposed to the water droplet or bath when the capillary stresses were considered. Thus, finite size effects from the film thicknesses were unimportant over the range of thicknesses studied, and no relative displacement of the films was found, with the films remaining well-bonded even with deformation associated with wrinkling.

Chang, Jooyoung↗