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81 records · Page 5

AI‐Driven Robot Enables Synthesis‐Property Relation Prediction for Metal Halide Perovskites in Humid Atmosphere

Materials Acceleration Platforms (MAPs) – also known as self-driving laboratories– present a new paradigm for materials science and promise an order of magnitude accelerated materials discovery compared to the traditional trial-and-error approach. Metal halide perovskites (MHPs) are an emerging class of materials for optoelectronic applications but are plagued by irreproducible optoelectronic quality, particularly for films fabricated in a humid atmosphere. Here, in this work, a machine learning (ML)-guided closed-loop platform is developed with a multimodal data fusion approach to predict synthesis–property relations for the optical quality of MHP thin films in relative humidities (RHs) ranging from 5–55%. The efficiency of this approach is confirmed by the fast-dropping learning rate to 2% after experimentally sampling less than 1% of the possible 5,000+ combinations. The prediction of synthesis–property relations is done by optical and imaging characterizations. In situ photoluminescence characterization revealed the origin of thin film quality variation at different RH. These insights provide an avenue for controlling the MHP crystallization by fine-tuning the synthesis parameters and RH for a given chemistry, thus lifting the need for stringent atmosphere control. The MAP enables an accelerated screening and understanding of the synthesis design space, facilitating rational synthesis recipe choice for a wide range of materials.

AI-driven robot↗

Diagnostics of Magnetohydrodynamic Modes in the Interstellar Medium through Synchrotron Polarization Statistics

One of the biggest challenges in understanding magnetohydrodynamic (MHD) turbulence is identifying the plasma mode components from observational data. Previous studies on synchrotron polarization from the interstellar medium (ISM) suggest that the dominant MHD modes can be identified via statistics of Stokes parameters, which would be crucial for studying various ISM processes such as the scattering and acceleration of cosmic rays, star formation, and dynamo. In this paper, we present a numerical study of the synchrotron polarization analysis (SPA) method through systematic investigation of the statistical properties of the Stokes parameters. We derive the theoretical basis for our method from the fundamental statistics of MHD turbulence, recognizing that the projection of the MHD modes allows us to identify the modes dominating the energy fraction from synchrotron observations. Based on the discovery, we revise the SPA method using synthetic synchrotron polarization observations obtained from 3D ideal MHD simulations with a wide range of plasma parameters and driving mechanisms, and present a modified recipe for mode identification. We propose a classification criterion based on a new SPA+ fitting procedure, which allows us to distinguish between Alfvén mode and compressible/slow mode dominated turbulence. We further propose a new method to identify fast modes by analyzing the asymmetry of the SPA+ signature and establish a new asymmetry parameter to detect the presence of fast mode turbulence. Additionally, we confirm through numerical tests that the identification of the compressible and fast modes is not affected by Faraday rotation in both the emitting plasma and the foreground.

97 MATHEMATICS AND COMPUTING↗

Zero-bias conductance peaks at zero applied magnetic field due to stray fields from integrated micromagnets in hybrid nanowire quantum dots

Many recipes for realizing topological superconductivity rely on broken time-reversal symmetry, which is often attained by applying a substantial external magnetic field. Alternatively, using magnetic materials can offer advantages through low-field operation and design flexibility on the nanoscale. Mechanisms for lifting spin degeneracy include exchange coupling, spin-dependent scattering, spin injection – all requiring direct contact between the bulk or induced superconductor and a magnetic material. Here, we implement locally broken time-reversal symmetry through dipolar coupling from nearby micromagnets to superconductor-semiconductor hybrid nanowire devices. Josephson supercurrent is hysteretic due to micromagnets switching. At or around zero external magnetic field, we observe an extended presence of Andreev bound states near zero voltage bias. We also show a zero-bias peak plateau of a non-quantized value. Our findings largely reproduce earlier results where similar effects were presented in the context of topological superconductivity in a homogeneous wire, and attributed to more exotic time-reversal breaking mechanisms [Nat. Phys. 17, 43 (2020)]. In contrast, our stray field profiles are not designed to create Majorana modes, and our data are compatible with a straightforward interpretation in terms of trivial states in quantum dots. At the same time, the use of micromagnets in hybrid superconductor-semiconductor devices shows promise for future experiments on topological superconductivity.

Jiang, Luyao [Univ. of Pittsburgh, PA (United Stat↗

An Apparatus for Monitoring the Health of Electrical Cables

As with most elements of infrastructure, electrical wiring is innocuous; usually hidden away and unnoticed until it fails. Failure of infrastructure, however, sometimes leads to serious health and safety hazards. Electrical wiring fails when the polymeric (usually rubber) insulation material that sheathes the conductor gets embrittled with age from exposure to pressure, temperature or radiation cycling or when the insulation gets removed by the chafing of wires against each other. Miles of such wiring can be found in typical aircraft, with significant lengths of the wiring immersed in aviation fuel - a recipe for an explosion if a spark were to occur. Diagnosing the health of wiring is thus an important aspect of monitoring the health of aging aircraft. Stress wave propagation through wiring affords a quick and non-invasive method for health monitoring. The extent to which a stress wave propagating through the cable core gets attenuated depends on the condition of the surrounding insulation. When the insulation is in good condition - supple and pliable, there is more damping or attenuation of the waveform. As the insulation gets embrittled and cracked, the attenuation is likely to reduce and the waveform of the propagating stress wave is likely to change. The monitoring of these changes provides a potential tool to evaluate wiring or cabling in service that is not accessible for visual inspection. This experiment has been designed for use in an introductory mechanical or materials engineering instrumentation lab. Initial setup (after procuring all the materials) should take the lab instructor about 4 hours. A single measurement can be initiated and saved to disk in less than 3 minutes, allowing for all the students in a typical lab section to take their own data rather than share a single set of data for the entire class.

Pai, Devdas M.↗

Hawaii Ocean Mixing Experiment: Program Summary

It is becoming apparent that insufficient mixing occurs in the pelagic ocean to maintain the large scale thermohaline circulation. Observed mixing rates fall a factor of ten short of classical indices such as Munk's "Abyssal Recipe." The growing suspicion is that most of the mixing in the sea occurs near topography. Exciting recent observations by Polzin et al., among others, fuel this speculation. If topographic mixing is indeed important, it must be acknowledged that its geographic distribution, both laterally and vertically, is presently unknown. The vertical distribution of mixing plays a critical role in the Stommel Arons model of the ocean interior circulation. In recent numerical studies, Samelson demonstrates the extreme sensitivity of flow in the abyssal ocean to the spatial distribution of mixing. We propose to study the topographic mixing problem through an integrated program of modeling and observation. We focus on tidally forced mixing as the global energetics of this process have received (and are receiving) considerable study. Also, the well defined frequency of the forcing and the unique geometry of tidal scattering serve to focus the experiment design. The Hawaiian Ridge is selected as a study site. Strong interaction between the barotropic tide and the Ridge is known to take place. The goals of the Hawaiian Ocean Mixing Experiment (HOME) are to quantify the rate of tidal energy loss to mixing at the Ridge and to identify the mechanisms by which energy is lost and mixing generated. We are challenged to develop a sufficiently comprehensive picture that results can be generalized from Hawaii to the global ocean. To achieve these goals, investigators from five institutions have designed HOME, a program of historic data analysis, modeling and field observation. The Analysis and Modeling efforts support the design of the field experiments. As the program progresses, a global model of the barotropic (depth independent) tide, and two models of the baroclinic (depth varying) tide, all validated with near-Ridge data, will be applied, to reveal the mechanisms of tidal energy conversion along the Ridge, and allow spatial and temporal integration of the rate of conversion. Field experiments include a survey to identify "hot spots" of enhanced mixing and barotropic to baroclinic conversion, a Nearfield study identifying the dominant mechanisms responsible for topographic mixing, and a Farfield program which quantifies the barotropic energy flux convergence at the Ridge and the flux divergence associated with low mode baroclinic waves radiation. The difference is a measure of the tidal power available for mixing at the Ridge. Field work is planned from years 2000 through 2002, with analysis and modeling efforts extending through early 2006. If successful, HOME will yield an understanding of the dominant topographic mixing processes applicable throughout the global ocean. It will advance understanding of two central problems in ocean science, the maintenance of the abyssal stratification, and the dissipation of the tides. HOME data will be used to improve the parameterization of dissipation in models which presently assimilate TOPEX-POSEIDON observations. The improved understanding of the dynamics and spatial distribution of mixing processes will benefit future long-term programs such as CLIVAR.

Ray, Richard D.↗

CG-Kit: Code Generation Toolkit for performant and maintainable variants of source code applied to Flash-X hydrodynamics simulations

CG-Kit is a new Code Generation tool-Kit that we have developed as a part of the solution for portability and maintainability for multiphysics computing applications. The development of CG-Kit is rooted in the urgent need created by the shifting landscape of high-performance computing platforms and the algorithmic complexities of a particular large-scale multiphysics application: Flash-X. To efficiently use computing resources on a heterogeneous node, an application must have a map of computation to resources and a mechanism to move the data and computation to the resources according to the map. Most existing performance portability solutions are focussed on abstracting the expression of computations so that a unified source code can be specialized to run on different resources. However, such an approach is insufficient for a code like Flash-X, which has a multitude of code components that can be assembled in various permutations and combinations to form different instances of applications. Similar challenges apply to any code that has composability, where a single specified way of apportioning work among devices may not be optimal. Additionally, use cases arise where the optimal control flow of computation may differ for different devices while the underlying numerics remain identical. This combination leads to unique challenges including handling an existing large code base in Fortran and/or C/C++, subdivision of code into a great variety of units supporting a wide range of physics and numerical methods, different parallelization techniques for distributed and shared memory systems and accelerator devices, and heterogeneity of computing platforms requiring coexisting variants of parallel algorithms. All of these challenges demand that scientific software developers apply existing knowledge about domain applications, algorithms, and computing platforms to determine custom abstractions and granularity for code generation. There is a critical lack of tools to tackle those problems. CG-Kit is designed to fill this gap by providing a user with the ability to express their desired control flow and computation-to-resource map in the form a pseudocode-like recipe. It consists of standalone tools that can be combined into highly specific and, we argue, highly effective portability and maintainability toolchains. Here we present the design of our new tools: parametrized source trees, control flow graphs, and recipes. The tools are implemented in Python. They are agnostic to the programming language of the source code targeted for code generation. In conclusion, we demonstrate the capabilities of the toolkit with two examples, first, multithreaded variants of the basic AXPY operation, and second, variants of parallel algorithms within a hydrodynamics solver, called Spark, from Flash-X that operates on block-structured adaptive meshes.

Algorithmic portability↗

From the Cluster Temperature Function to the Mass Function at Low Z

This XMM project consisted of three observations of the nearby, hot galaxy cluster Triangulum Australis, one of the cluster center and two offsets. The goal was to measure the radial gas temperature profile out to large radii and derive the total gravitating mass within the radius of average mass overdensity 500. The central pointing also provides data for a detailed two-dimensional gas temperature map of this interesting cluster. We have analyzed all three observations. The derivation of the temperature map using the central pointing is complete, and the paper is soon to be submitted. During the course of this study and of the analysis of archival XMM cluster observations, it became apparent that the commonly used XMM background flare screening techniques are often not accurate enough for studies of the cluster outer regions. The information on the cluster's total masses is contained at large off-center distances, and it is precisely the temperatures for those low-brightness regions that are most affected by the detector background anomalies. In particular, our two offset observations of the Triangulum have been contaminated by the background flares ("bad cosmic weather") to a degree where they could not be used for accurate spectral analysis. This forced us to expand the scope of our project. We needed to devise a more accurate method of screening and modeling the background flares, and to evaluate the uncertainty of the XMM background modeling. To do this, we have analyzed a large number of archival EPIC blank-field and closed-cover observations. As a result, we have derived stricter background screening criteria. It also turned out that mild flares affecting EPIC-pn can be modeled with an adequate accuracy. Such modeling has been used to derive our Triangulum temperature map. The results of our XMM background analysis, including the modeling recipes, are presented in a paper which is in final preparation and will be submitted soon. It will be useful not only for our future analysis but for other XMM cluster observations as well.

Mushotzky, Richard↗

Consequences of Different Air-Sea Feedbacks on Ocean Using MITgcm and MERRA-2 Forcing: Implications for Coupled Data Assimilation Systems

Ocean surface flux estimates from atmospheric and oceanic reanalyses contain errors that compensate for inaccuracies in the respective atmosphere and ocean models used to generate these reanalyses. A conundrum for climate studies is the discrepancy between surface fluxes that minimize model-data differences for an atmosphere-only model vs surface fluxes that minimize model-data differences for an ocean model. As a first step towards a consistent coupled ocean-atmosphere data-assimilation (DA) system, we compare surface net heat flux from a state-of-the-art atmospheric reanalysis, the Modern-Era Retrospective analysis for Research and Applications, Version 2 (MERRA-2), to net heat flux from a state-of-the-art ocean state estimate, the Estimating the Circulation and Climate of the Ocean Version 4 (ECCO-v4). The possible impacts of the MERRA-2 and ECCO-v4 air-sea net heat flux difference in a coupled DA system were assessed using a set of experiments designed to imitate different “flavors” of a coupled DA system in an ocean-only setup. This was done by forcing the ECCO-v4 underlying ocean model - the Massachusetts Institute of Technology general circulation model (MITgcm) - with different sets of MERRA-2 fields and utilizing different forcing methods. By doing so we were able to turn off different air-sea feedbacks which, in a coupled DA setup, are partially muted by the constraining observations. The set of experiments, therefore, represents a range of active feedbacks in different “flavors” of coupled data-assimilation systems. For the period 1992–2011, MERRA-2 net heat flux has a global mean difference of -4.9 Wm(exp -2) relative to ECCO-v4. When MERRA-2 surface fields are used to force MITgcm, imbalances in the energy and the hydrological cycles of MERRA-2, which are directly related to the fact that MERRA-2 was created without an interactive ocean, propagate to the ocean. The experiment in which MITgcm is forced with MERRA-2 fluxes (MERRA-2-flux experiment) results in a 2.5°C global mean Sea Surface Temperature (SST) cooling, a 1m reduction in global mean sea level, and other drastic changes in the large scale ocean circulation relative to those resulting when the MITgcm is forced with the optimized ECCO-v4 net heat flux (the ECCO-v4 experiment itself). When MITgcm is forced with MERRA-2 state variables (MERRA-2-state experiment), the SST is somewhat restored to the observed SST, but the errors are shifted to the water cycle, resulting in a global mean sea level increase of 2.7 m. To further explore the pros and cons of these two approaches, we introduce a new intermediate forcing method in which the ocean is forced with turbulent fluxes but has a long wave feedback. This method, unlike MERRA-2 state, preserves the MERRA-2 water and salinity cycles, and it reduces the SST error compared to the MERRA-2-flux experiment, but the SST is not as good as that in the MERRA-2-state experiment. Our results have implications for ocean-model forcing recipes and clearly reveal the undesirable consequences of limiting the feedbacks in either these types of experiments or in coupled DA.

Ehud Strobach↗

Impact Forces From Artificial and Real Birds on a Large Diameter Hopkinson Bar

Forces were measured from normal impacts with two different artificial bird recipes and two species of real birds on a very rigid flat surface. The tests were conducted by launching the soft body projectiles axially into a Hopkinson bar in accordance with the SAE AS6940 test standard at three different nominal impact conditions: (a) a 1 kg projectile at an impact velocity of 49 m/sec; (b) a 1.8 kg projectile at an impact velocity of 110 m/sec; and (c) a 1.8 kg projectile at an impact velocity of 310 m/sec. At each condition two artificial birds and one real bird projectile were tested with at least three test repeats. Simulations were conducted to assess the effects of projectile orientation and velocity on predicted forces. The Hopkinson bar consisted of an Aluminum 6061 solid cylindrical bar with a diameter of 305 mm and a length of 7.31 m, made up of two 3.66 m long sections that were in axial contact with each other. The bar was instrumented for strain measurement at two locations, 457.2 mm and 609.6 mm (1.5 and 2 diameters) from the impacted face. Forces were calculated from the measured strain. In addition, digital image correlation (DIC) was used to measure the velocity of the free end of the bar. The real bird projectiles were 1 kg Mallard ducks and 1.8 kg Golden Comet chickens that were prepared per ASTM F330-21. Prior to testing, the real birds were placed in muslin bags to minimize tumbling during flight. Two artificial bird formulations were tested, one produced by the University of Dayton Research Institute (UDRI) and the other by the German Aerospace Center, DLR. The UDRI projectile was a homogeneous, relatively soft solid, formulated with a mixture of water, gelatin and phenolic micro-balloons to achieve a nominal density of 0.95 g/cc. The DLR projectile consisted of a printed plastic shell with internal plastic ribs and filled with a gel material. The projectiles were designed such that the overall average density was the desired value of 0.95 g/cc. Initial testing showed that contact between the two Hopkinson bar segments was not sufficient to allow full transmission of the waves through the interface. For the 49 m/sec and 110 m/sec tests this resulted in reflections returning to the strain measurement site prior to the end of the impact. For these tests only a portion of the force pulse could be accurately measured. For the highest velocity tests at 310 m/sec the force pulse was complete by the time reflected waves interfered with the response. Despite this limitation, useful force data were obtained for all velocities. Impact forces were very sensitive to the impact orientation and velocity. The force history generally consisted of an initial region with varying amplitude followed by a relatively constant amplitude response. The steady state region was similar among all projectiles and similar to what would be predicted for an inviscid fluid with a density of 0.95 g/cc. The initial part of the force response exhibited varying degrees of test-to-test repeatability associated with each projectile type. Forces calculated from DIC velocity measurements of the free end of the bar compared favorably those from the strain measurements. In general, the artificial projectile impact forces were quite repeatable from test to test, with some exceptions which could be explained by issues associated with either the projectile itself or with how the projectile exited the gun barrel. For all impact velocities the initial portion of the impact force from the bird projectiles exhibited large test-to-test variability. In this paper, impact forces for three types of projectiles at three impact velocities will be presented with an emphasis on the test-to-test repeatability of the results. Based on test and simulation results a proposed method for normalizing the impact force to minimize effects of differences in projectile orientation, impact velocity and density will also be discussed.

Bird strike↗