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At least 1,099 records · Page 61

A Global Repository for Planet-Sized Experiments and Observations

Working across U.S. federal agencies, international agencies, and multiple worldwide data centers, and spanning seven international network organizations, the Earth System Grid Federation (ESGF) allows users to access, analyze, and visualize data using a globally federated collection of networks, computers, and software. Its architecture employs a system of geographically distributed peer nodes that are independently administered yet united by common federation protocols and application programming interfaces (APIs). The full ESGF infrastructure has now been adopted by multiple Earth science projects and allows access to petabytes of geophysical data, including the Coupled Model Intercomparison Project (CMIP) output used by the Intergovernmental Panel on Climate Change assessment reports. Data served by ESGF not only include model output (i.e., CMIP simulation runs) but also include observational data from satellites and instruments, reanalyses, and generated images. Metadata summarize basic information about the data for fast and easy data discovery.

Earth Systems Grid Federation (ESGFC)↗

STIG: A Two-Speed Transmission Aboard the Mars2020 Coring Drill

The coring drill, part of the Sampling & Caching Subsystem (SCS) aboard the Mars2020 rover, demands a wide range of drill bit torque and speed capabilities during sample acquisition operations. The two driving operating points are high speed, low torque for rotary-percussive coring, as well as low speed, high torque for separating the rock core sample from its parent rock. The spindle twin-input transmission (STIG) allows these and other operating points to be reached with an actuator of substantially less peak power and maximum current draw than that of a single-speed actuator. Rather than containing gearing of its own, the transmission interfaces to an actuator with two outputs of different gear ratios, allowing the transmission to select one of the two of the outputs to be coupled to the drill bit. This paper describes the design, capabilities, and challenges associated with the transmission and the dual-output actuator.

Szwarc, Timothy↗

Polarization diversity optical interface assembly

Examples herein relate to polarization diversity optical interface assemblies including a single mode optical fiber and first and second grating couplers disposed on a substrate. The first and second grating couplers are coupled to first and second waveguides, respectively. The assemblies further includes an optical connector to couple light between the single mode optical fiber and each of the first and second grating couplers. The optical connector includes a ferrule and a walk-off crystal. The ferrule is coupled to a portion of the single mode optical fiber. The walk-off crystal is configured to spatially separate the light into first and second orthogonal polarization modes prior to passing through the respective first and second grating couplers and/or combine the first and second polarization modes of the light prior to passing through the single mode optical fiber.

42 ENGINEERING↗

Measuring Vibronic Coupling and Ultrafast Charge Delocalization on Nanocrystal Surfaces Using Ligand-Specific Vibrational Probes

The primary goal of this proposal was to measure and quantify how vibronic ligand-exciton interactions at the inorganic-organic interface of semiconductor nanocrystals (NCs) govern femtosecond non-radiative relaxation and charge delocalization mechanisms as a function of nanocrystal and ligand structures – including NC size, shape, and ligand identity. Molecular-scale chemical and physical properties and interactions of surface ligands dictate nanocrystal exciton dynamics on the femto-to-microsecond timescales. Improvements in synthesis, experimental, and theoretical characterizations have enhanced our understanding of NC photophysics. However, quantitative descriptions of complex ligand-exciton interactions at the NC surface have remained elusive, which limits elucidation of relaxation mechanisms that determine overall carrier transfer dynamics at the exciton-ligand interface. Thus, the central motivation for this proposal was to fill a significant knowledge gap for judicious selection of ligand-functionalized nanocrystals for targeted isolation and capture of charge carriers to drive selective organic photocatalytic transformations in NC photocatalysts and NC-assembled photonic materials. Our unique two-pronged experimental approach combining nanocrystal synthesis and ligand-specific nonlinear spectroscopy has resulted in (i) four peer-reviewed publications; (ii) 12+ invited and contributed posters and talks at national and international scientific meetings and seminars, (iii) two completed PhD theses, (iv) training of two postdoctoral researchers, three PhD students, and two undergraduate students, and (v) two manuscripts under preparation.

36 MATERIALS SCIENCE↗

Coupling to short linear motifs creates versatile PME-1 activities in PP2A holoenzyme demethylation and inhibition

Protein phosphatase 2A (PP2A) holoenzymes target broad substrates by recognizing short motifs via regulatory subunits. PP2A methylesterase 1 (PME-1) is a cancer-promoting enzyme and undergoes methylesterase activation upon binding to the PP2A core enzyme. Here, we showed that PME-1 readily demethylates different families of PP2A holoenzymes and blocks substrate recognition in vitro. The high-resolution cryoelectron microscopy structure of a PP2A-B56 holoenzyme–PME-1 complex reveals that PME-1 disordered regions, including a substrate-mimicking motif, tether to the B56 regulatory subunit at remote sites. They occupy the holoenzyme substrate-binding groove and allow large structural shifts in both holoenzyme and PME-1 to enable multipartite contacts at structured cores to activate the methylesterase. B56 interface mutations selectively block PME-1 activity toward PP2A-B56 holoenzymes and affect the methylation of a fraction of total cellular PP2A. The B56 interface mutations allow us to uncover B56-specific PME-1 functions in p53 signaling. Our studies reveal multiple mechanisms of PME-1 in suppressing holoenzyme functions and versatile PME-1 activities derived from coupling substrate-mimicking motifs to dynamic structured cores.

59 BASIC BIOLOGICAL SCIENCES↗

LED pumped Nd:YAG laser development program

The results of a development program for light emitting diode (LED) pumped Nd:YAG lasers are described. An index matching method to increase the coupling efficiency of the laser is described. A solid glass half-cylinder of 5.0 by 5.6 centimeters was used for index matching and also as a pumping cavity reflector. The laser rods were 1.5 by 56 millimeters with dielectric coatings on both end surfaces. The interfaces between the diode array, glass cylinder, and laser rod were filled with viscous fluid of refractive index n = 1.55. Experiments performed with both the glass cylinder and a gold coated stainless steel reflector of the same dimensions under the same operating conditions indicate that the index matching cylinder gave 159 to 200 percent improvement of coupling efficiency over the metal reflector at various operating temperatures.

Farmer, G. I.↗

Enhanced superconducting qubit performance through ammonium fluoride etch

The performance of superconducting qubits is often limited by dissipation and two-level systems (TLS) losses. The dominant sources of these losses are believed to originate from amorphous materials and defects at interfaces and surfaces, likely as a result of fabrication processes or ambient exposure. Here, we explore a novel wet chemical surface treatment at the Josephson junction-substrate and the substrate-air interfaces by replacing a buffered oxide etch (BOE) cleaning process with one that uses hydrofluoric acid followed by aqueous ammonium fluoride. We show that the ammonium fluoride etch process results in a statistically significant improvement in median $\text{T}_1$ by $\sim22\%$ (p = 0.002), and a reduction in the number of strongly-coupled TLS in the tunable frequency range. Microwave resonator measurements on samples treated with the ammonium fluoride etch after niobium deposition and etching also show $\sim33\%$ lower TLS-induced loss tangent compared to the BOE treated samples. As the chemical treatment primarily modifies the Josephson junction-substrate interface and substrate-air interface, we perform targeted chemical and structural characterizations to examine materials differences at these interfaces and identify multiple microscopic changes that could contribute to decreased TLS losses.

36 MATERIALS SCIENCE↗

Gas-Phase Temperature Mapping of Evaporating Microdroplets

Evaporation is a ubiquitous and complex phenomenon of importance to many natural and industrial systems. Evaporation occurs when molecules near the free interface overcome intermolecular attractions with the bulk liquid. As molecules escape the liquid phase, heat is removed, causing evaporative cooling. The influence of evaporative cooling on inducing a temperature difference with the surrounding atmosphere as well as within the liquid is poorly understood. Here, we develop a technique to overcome past difficulties encountered during the study of heterogeneous droplet evaporation by coupling a piezo-driven droplet generation mechanism to a controlled micro-thermocouple to probe microdroplet evaporation. The technique allowed us to probe the gas-phase temperature distribution using a micro-thermocouple (50 μm) in the vicinity of the liquid–vapor interface with high spatial (±10 μm) and temporal (±100 ms) resolution. We experimentally map the temperature gradient formed surrounding sessile water droplets having varying curvature dictated by the apparent advancing contact angle (100° ≲ θ ≲ 165°). The experiments were carried out at temperatures below and above ambient for a range of fixed droplet radii (130 μm ≲ R ≲ 330 μm). Our results provide a primary validation of the centuries-old theoretical framework underpinning heterogeneous droplet evaporation mediated by the working fluid, substrate, and gas thermophysical properties, droplet apparent contact angle, and droplet size. We show that microscale droplets residing on low-thermal-conductivity substrates such as glass absorb up to 8× more heat from the surrounding gas compared to droplets residing on high-thermal-conductivity substrates such as copper. Finally, our work not only develops an experimental understanding of the heat transfer mechanisms governing droplet evaporation but also presents a powerful platform for the study and characterization of liquid–vapor transport at curved interfaces wetting and nonwetting advanced functional surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

MIDAS prototype Multispectral Interactive Digital Analysis System for large area earth resources surveys. Volume 2: Charge coupled device investigation

MIDAS is a third-generation, fast, low cost, multispectral recognition system able to keep pace with the large quantity and high rates of data acquisition from large regions with present and projected sensors. MIDAS, for example, can process a complete ERTS frame in forty seconds and provide a color map of sixteen constituent categories in a few minutes. A principal objective of the MIDAS Program is to provide a system well interfaced with the human operator and thus to obtain large overall reductions in turn-around time and significant gains in throughput. The need for advanced onboard spacecraft processing of remotely sensed data is stated and approaches to this problem are described which are feasible through the use of charge coupled devices. Tentative mechanizations for the required processing operations are given in large block form. These initial designs can serve as a guide to circuit/system designers.

Kriegler, F.↗

Direct growth of crystalline SiGe nanowires on superconducting NbTiN thin films

Novel heterostructures created by coupling one-dimensional semiconductor nanowires with a superconducting thin film show great potential toward next-generation quantum computing. Here, by growing high-crystalline SiGe nanowires on a NbTiN thin film, the resulting heterostructure exhibits Ohmic characteristics as well as a shift of the superconducting transition temperature (T c ). The structure was characterized at atomic resolution showing a sharp SiGe/NbTiN interface without atomic interdiffusion. Lattice spacing, as calculated from large-area x-ray diffraction experiments, suggests a potential preferred d-spacing matching between (200) NbTiN and (110) SiGe grains. The observed out-of-plane compressive strain within the NbTiN films coupled with SiGe nanowires explains the downward shift of the superconductivity behavior. The presented results post scientific insights toward functional heterostructures by coupling multi-dimensional materials, which could enable tunable superconductivity that benefits the quantum science applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Multiphysics and Multiscale Modeling of Coupled Transport of Chloride Ions in Concrete

Chloride ions (Cl−)-induced corrosion is one of the main degradation mechanisms in reinforced concrete (RC) structures. In most situations, the degradation initiates with the transport of Cl− from the surface of the concrete towards the reinforcing steel. The accumulation of Cl− at the steel-concrete interface could initiate reinforcement corrosion once a threshold Cl− concentration is achieved. An accurate numerical model of the Cl− transport in concrete is required to predict the corrosion initiation in RC structures. However, existing numerical models lack a representation of the heterogenous concrete microstructure resulting from the varying environmental conditions and the indirect effect of time dependent temperature and relative humidity (RH) on the water adsorption and Cl− binding isotherms. In this study, a numerical model is developed to study the coupled transport of Cl− with heat, RH and oxygen (O2) into the concrete. The modeling of the concrete microstructure is performed using the Virtual Cement and Concrete Testing Laboratory (VCCTL) code developed by the U.S. National Institute of Standards and Technology (NIST). The concept of equivalent maturation time is utilized to eliminate the limitation of simulating concrete microstructure using VCCTL in specific environmental conditions such as adiabatic. Thus, a time-dependent concrete microstructure, which depends on the hydration reactions coupled with the temperature and RH of the environment, is achieved to study the Cl− transport. Additionally, Cl− binding isotherms, which are a function of the pH of the concrete pore solution, Cl− concentration, and weight fraction of mono-sulfate aluminate (AFm) and calcium-silicate-hydrate (C-S-H), obtained from an experimental study by the same authors are utilized to account for the Cl− binding of cement hydration products. The temperature dependent RH diffusion was considered to account for the transport of Cl− with moisture transport. The temperature and RH diffusion in the concrete domain, composite theory, and Cl− binding and water adsorption isotherms are used in combination, to estimate the ensuing Cl− diffusion field within the concrete. The coupled transport process of heat, RH, Cl−, and O2 is implemented in the Multiphysics Object-Oriented Simulation Environment (MOOSE) developed by the U.S. Idaho National Laboratory (INL). The model was verified and validated using data from multiple experimental studies with different concrete mixture proportions, curing durations, and environmental conditions. Additionally, a sensitivity analysis was performed to identify that the water-to-cement (w/c) ratio, the exposure duration, the boundary conditions: temperature, RH, surface Cl− concentration, Cl− diffusion coefficient in the capillary water, and the critical RH are the important parameters that govern the Cl− transport in RC structures. In a case study, the capabilities of the developed numerical model are demonstrated by studying the complex 2D diffusion of Cl− in a RC beam located in two different climatic regions: warm and humid weather in Galveston, Texas, and cold and dry weather in North Minnesota, Minnesota, subjected to time varying temperature, RH, and surface Cl− concentrations.

composite theory↗

Investigation of Corrosion Behavior of Carbide Phase Strengthened Nickel‐Based Alloy in Molten Fluoride Salt

The corrosion behavior of a high creep strength carbide-phase strengthened Ni-based alloy in molten FLiNaK (LiF-NaF-KF: 46.5-11.5-42 mol%) salt in the temperature range of 700°C–750°C has been investigated as a part of the development of structural alloys for fluoride salt-based molten salt reactors (MSRs). The alloy composition was designed based on Hastelloy-N, but with the goal of improving creep strength. Cr depletion depth, a measure of corrosion, was observed to be single micrometers after several hundred hours of corrosion testing. Sequential corrosion testing involving testing of pre-tested samples in fresh salt coupled with SEM-EDS, scanning transmission electron microscopy (STEM) examinations and thermodynamic and kinetic modeling, suggest that the corrosion rate at the alloy-salt interface is governed by diffusion of elements from the alloy bulk to the surface. The carbide phases in the corrosion-tested sample microstructure were identified to be largely M 6 C-type Mo-rich carbides and MC-type mixed carbides. Atom probe tomography (APT) showed some partitioning of Cr and Ti to the carbide phase and showed the carbide phases to be stable at the salt-facing surface.

Gordon, Ryan [Univ. of Wisconsin, Madison, WI (Uni↗

Twisted cuprate van der Waals heterostructures with controlled Josephson coupling

Twisted van derWaals (vdW) heterostructures offer a unique platform for engineering the efficient Josephson coupling between cuprate thin crystals harboring the nodal superconducting order parameter. Preparing the vdW heterostructures-based Josephson junction comprising stacked cuprates requires maintaining an ordered interface with preserved surface superconductivity. Here, we report the preparation of the Josephson junction out of the stacked Bi 2 Sr 2 CaCu 2 O 8+d crystals using the cryogenic dry transfer technique and encapsulating the junction with an insulating layer, that protects the interface during the electrical contacts evaporation at the 1×10 -6 mbar base pressure. We find that the Josephson critical current $I$ c has a maximum at low twist angles, comparable to that of the bulk intrinsic Josephson junctions, and is reduced by two orders of magnitude at twist angles close to 45°. In conclusion, the reduction of $I$ c occurs due to a mismatch between superconducting $d$-wave order parameters, which suppresses the direct Cooper pair tunneling.

2D materials↗

Stability and control of power systems with high penetrations of inverter-based resources: An accessible review of current knowledge and open questions

As power system renewable energy penetrations increase, the ways in which key renewable technologies such as wind and solar photovoltaics (PV) differ from thermal generators become more apparent. Many studies have examined the variability and uncertainty of such generators and described how generation and load can be balanced for a wide variety of annual energy penetrations, at timescales from seconds to years. Another important characteristic of these resources is asynchronicity, the result of using inverters to interface the prime energy source with the power system as opposed to synchronous generators. Unlike synchronous generators, whose frequency of alternating current (AC) injection is physically coupled to the rotation of the machine itself, inverter based asynchronous generators do not share the same physical coupling with the generated frequency. These subtle differences impact the operations of power systems developed around the characteristics of synchronous generators. In this paper we review current knowledge and open research questions concerning the interplay between asynchronous inverter-based resources (IBRs) and cycle- to second-scale power system dynamics, with a focus on how stability and control may be impacted or need to be achieved differently when there are high instantaneous penetrations of IBRs across an interconnection. This work does not seek to provide a comprehensive review of the latest developments, but is instead intended to be accessible to any reader with an engineering background and an interest in power systems and renewable energy. As such, the paper includes basic material on power electronics, control schemes for IBRs, and power system stability; and uses this background material to describe potential impacts of IBRs on power system stability, operational challenges associated with large amounts of distributed IBR generation, and modern power system simulation trends driven by IBR characteristics.

14 SOLAR ENERGY↗

Magnetic molecules lose identity when connected to different combinations of magnetic metal electrodes in MTJ-based molecular spintronics devices (MTJMSD)

Abstract Understanding the magnetic molecules’ interaction with different combinations of metal electrodes is vital to advancing the molecular spintronics field. This paper describes experimental and theoretical understanding showing how paramagnetic single-molecule magnet (SMM) catalyzes long-range effects on metal electrodes and, in that process, loses its basic magnetic properties. For the first time, our Monte Carlo simulations, verified for consistency with regards to experimental studies, discuss the properties of the whole device and a generic paramagnetic molecule analog (GPMA) connected to the combinations of ferromagnet-ferromagnet, ferromagnet-paramagnet, and ferromagnet-antiferromagnet metal electrodes. We studied the magnetic moment vs. magnetic field of GPMA exchange coupled between two metal electrodes along the exposed side edge of cross junction-shaped magnetic tunnel junction (MTJ). We also studied GPMA-metal electrode interfaces’ magnetic moment vs. magnetic field response. We have also found that the MTJ dimension impacted the molecule response. This study suggests that SMM spin at the MTJ exposed sides offers a unique and high-yield method of connecting molecules to virtually endless magnetic and nonmagnetic electrodes and observing unprecedented phenomena in the molecular spintronics field.

42 ENGINEERING↗

Ultrafast relaxation dynamics in bimetallic plasmonic catalysts

Combining a plasmonic metal, such as gold, with other popular catalysts, such as Ni or Pt, can extend its benefits to many energy-extensive reactions catalyzed by those metals. The efficiency of a plasmon-enhanced catalytic reaction is mainly determined by the light absorption cross section and the photoexcited charge carrier relaxation dynamics of the nanoparticles. Here we have investigated the charge carrier relaxation dynamics of gold/nickel (Au/Ni) and gold/platinum (Au/Pt) bimetallic nanoparticles. We found that the addition of Ni or Pt to gold can reduce light absorption in gold nanoparticles. However, electron–phonon coupling rates of Au/Ni and Au/Pt nanoparticles are significantly faster than that of pure Au nanoparticles. This is due to the fact that both Ni and Pt possess significantly larger electron–phonon coupling constants and higher densities of states near the Fermi level in comparison with Au. Additionally, the phonon–phonon coupling rate of bimetallic Au/Pt and Au/Ni nanoparticles was significantly different from that of pure gold nanoparticles, due to the acoustic impedance mismatch at the nanoparticle/substrate interface. Our findings provide important insights into the rational design of bimetallic plasmonic catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Anisotropic superconductivity at KTaO 3 (111) interfaces

A two-dimensional, anisotropic superconductivity was recently found at the KTaO 3 (111) interfaces. The nature of the anisotropic superconducting transition remains a subject of debate. To investigate the origins of the observed behavior, we grew epitaxial KTaO 3 (111)-based heterostructures. We show that the superconductivity is robust against the in-plane magnetic field and violates the Pauli limit. We also show that the Cooper pairs are more resilient when the bias is along [11$\bar{2}$] (I ∥ [11$\bar{2}$]) and the magnetic field is along [1$\bar{1}$0] (B ∥ [1$\bar{1}$0]). We discuss the anisotropic nature of superconductivity in the context of electronic structure, orbital character, and spin texture at the KTaO 3 (111) interfaces. The results point to future opportunities to enhance superconducting transition temperatures and critical fields in crystalline, two-dimensional superconductors with strong spin-orbit coupling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

QuComm: Optimizing Collective Communication for Distributed Quantum Computing

Distributed quantum computing (DQC) is a scalable way to build a large-scale quantum computing system while the error-prone nonlocal communication between DQC nodes may heavily degrade the fidelity of the distributed quantum program and thus demands specific compiler optimizations. Previous compilers on DQC communication optimization either assumes unlimited communication resource or a few communication qubits due to the hardware limitation. The former compilers may not be efficient when interfacing with communication-resource-constrained DQC hardware while the latter compilers lose the opportunities of optimizing collective communication and routing concurrent communication as they unnecessarily couple limited communication qubits with the implementation of expensive inter-node operations. In this paper, we invent the communication buffer, a communication facility consisting of idle qubits in each compute node, to decouple the execution of inter-node quantum operations from communication qubits: communication qubits are devoted to generating inter-node entanglement while internode operations are conducted in the communication buffer. The communication buffer provides an intermediate layer for inter-node communication and paves the way for collective communication optimization. We then propose QuComm, a buffer-based compiler framework that first performs smart buffer allocation according to communication characteristics of the distributed quantum program and then optimizes and collectively routes inter-node quantum operations. Experimental results on a hierarchical DQC system show that the proposed QuComm can reduce the most expensive inter-node communication request and the latency of various distributed quantum programs by 50.4% and 47.6% on average, respectively.

Wu, Anbang↗