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  1. Free, publicly-accessible full text available September 28, 2024
  2. Recent technology development of logic devices based on 2-D semiconductors such as MoS2, WS2, and WSe2 has triggered great excitement, paving the way to practical applications. Making low-resistance p-type contacts to 2-D semiconductors remains a critical challenge. The key to addressing this challenge is to find high-work function metallic materials which also introduce minimal metal-induced gap states (MIGSs) at the metal/semiconductor interface. In this work, we perform a systematic computational screening of novel metallic materials and their heterojunctions with monolayer WSe2 based on ab initio density functional theory and quantum device simulations. Two contact strategies, van der Waals (vdW) metallic contact and bulk semimetallic contact, are identified as promising solutions to achieving Schottky-barrier-free and low-contact-resistance p-type contacts for WSe2 p-type field-effect transistor (pFETs). Good candidates of p-type contact materials are found based on our screening criteria, including 1H-NbS2, 1H-TaS2, and 1T-TiS2 in the vdW metal category, as well as Co3Sn2S2 and TaP in the bulk semimetal category. Simulations of these new p-type contact materials suggest reduced MIGS, less Fermi-level pinning effect, negligible Schottky barrier height and small contact resistance (down to 20 Ωμm ) 
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    Free, publicly-accessible full text available January 1, 2024
  3. Abstract

    Revealing the formation, dynamics, and contribution to plasma heating of magnetic field fluctuations in the solar wind is an important task for heliospheric physics and for a general plasma turbulence theory. Spacecraft observations in the solar wind are limited to spatially localized measurements, so that the evolution of fluctuation properties with solar wind propagation is mostly studied via statistical analyses of data sets collected by different spacecraft at various radial distances from the Sun. In this study we investigate the evolution of turbulence in the Earth’s magnetosheath, a plasma system sharing many properties with the solar wind. The near-Earth space environment is being explored by multiple spacecraft missions, which may allow us to trace the evolution of magnetosheath fluctuations with simultaneous measurements at different distances from their origin, the Earth’s bow shock. We compare ARTEMIS and Magnetospheric Multiscale (MMS) Mission measurements in the Earth magnetosheath and Parker Solar Probe measurements of the solar wind at different radial distances. The comparison is supported by three numerical simulations of the magnetosheath magnetic and plasma fluctuations: global hybrid simulation resolving ion kinetic and including effects of Earth’s dipole field and realistic bow shock, hybrid and Hall-MHD simulations in expanding boxes that mimic the magnetosheath volume expansion with the radial distance from the dayside bow shock. The comparison shows that the magnetosheath can be considered as a miniaturized version of the solar wind system with much stronger plasma thermal anisotropy and an almost equal amount of forward and backward propagating Alfvén waves. Thus, many processes, such as turbulence development and kinetic instability contributions to plasma heating, occurring on slow timescales and over large distances in the solar wind, occur more rapidly in the magnetosheath and can be investigated in detail by multiple near-Earth spacecraft.

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  4. Ward, C (Ed.)
    Computational microstructure design aims to fully exploit the precipitate strengthening potential of an alloy system. The development of accurate models to describe the temporal evolution of precipitate shapes and sizes is of great technological relevance. The experimental investigation of the precipitate microstructure is mostly based on two-dimensional micrographic images. Quantitative modeling of the temporal evolution of these microstructures needs to be discussed in three-dimensional simulation setups. To consistently bridge the gap between 2D images and 3D simulation data, we employ the method of central moments. Based on this, the aspect ratio of plate-like particles is consistently defined in two and three dimensions. The accuracy and interoperability of the method is demonstrated through representative 2D and 3D pixel-based sample data containing particles with a predefined aspect ratio. The applicability of the presented approach in integrated computational materials engineering (ICME) is demonstrated by the example of γ″ microstructure coarsening in Ni-based superalloys at 730 °C. For the first time, γ″ precipitate shape information from experimental 2D images and 3D phase-field simulation data is directly compared. This coarsening data indicates deviations from the classical ripening behavior and reveals periods of increased precipitate coagulation. 
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  5. Analog IC performance has a strong dependence on interconnect RC parasitics, which are significantly affected by wire sizes in recent technologies, where minimum-width wires have high resistance. However, performance-driven wire sizing for analog ICs has received very little research attention. In order to fill this void, we develop several techniques to facilitate an end-to-end automatic wire sizing approach. They include a circuit performance model based on customized graph neural network (GNN) and two optimization techniques: one using Bayesian optimization accelerated by the GNN model, and the other based on TensorFlow training. Experimental results show that our technique can achieve 11% circuit performance improvement or 8.7× speedup compared to a conventional Bayesian optimization method. 
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