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  1. Digital twins are emerging as powerful tools for supporting innovation as well as optimizing the in-service performance of a broad range of complex physical machines, devices, and components. A digital twin is generally designed to provide accurate in-silico representation of the form (i.e., appearance) and the functional response of a specified (unique) physical twin. This paper offers a new perspective on how the emerging concept of digital twins could be applied to accelerate materials innovation efforts. Specifically, it is argued that the material itself can be considered as a highly complex multiscale physical system whose form (i.e., details of the material structure over a hierarchy of material length) and function (i.e., response to external stimuli typically characterized through suitably defined material properties) can be captured suitably in a digital twin. Accordingly, the digital twin can represent the evolution of structure, process, and performance of the material over time, with regard to both process history and in-service environment. This paper establishes the foundational concepts and frameworks needed to formulate and continuously update both the form and function of the digital twin of a selected material physical twin. The form of the proposed material digital twin can be captured effectively using themore »broadly applicable framework of n-point spatial correlations, while its function at the different length scales can be captured using homogenization and localization process-structure-property surrogate models calibrated to collections of available experimental and physics-based simulation data.« less
  2. Abstract

    This work reports on the correlation between structure, surface/interface morphology and mechanical properties of pulsed laser deposited (PLD)β-Ga2O3films on transparent quartz substrates. By varying the deposition temperature in the range of 25 °C–700 °C, ∼200 nm thick Ga2O3films with variable microstructure and amorphous-to-nanocrystalline nature were produced onto quartz substrates by PLD. The Ga2O3films deposited at room temperature were amorphous; nanocrystalline Ga2O3films were realized at 700 °C. The interface microstructure is characterized with a typical nano-columnar morphology while the surface exhibits the uniform granular morphology. Corroborating with structure and surface/interface morphology, and with increasing deposition temperature, tunable mechanical properties were seen in PLD Ga2O3films. At 700 °C, for nanocrystalline Ga2O3films, the dense grain packing reduces the elastic modulus Erwhile improving the hardness. The improved crystallinity at elevated temperatures coupled with nanocrystallinity, theβ-phase stabilization is accounted for the observed enhancement in the mechanical properties of PLD Ga2O3films. The structure-morphology-mechanical property correlation in nanocrystalline PLDβ-Ga2O3films deposited on quartz substrates is discussed in detail.