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Characterization of Ultra-fine Grained and Nanocrystalline Materials Using Transmission Kikuchi Diffraction
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Finding the Materials Harder than Diamond: Macroscale and Microscale Studies.

Maxim Yu Arsentev1, Evgeny I Sysoev2, Stepan A Vorobiev1

  • 1Infochemistry Scientific Center, ITMO University, 9 Lomonosova Street, Saint-Petersburg 191002, Russia.

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Summary
This summary is machine-generated.

Triply periodic minimal surface (TPMS) metamaterials inspired by crystal structures offer enhanced isotropy and mechanical properties. Twinning grain boundaries in face-centered cubic (FCC) metamaterials significantly boosts performance, outperforming diamond structures.

Keywords:
additive manufacturingcellular materialsdensity functional theorymechanical propertiesmolecular dynamics simulation

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Area of Science:

  • Materials Science
  • Mechanical Engineering
  • Crystallography

Background:

  • Triply periodic minimal surfaces (TPMS) are promising templates for architected metamaterials.
  • Crystal microstructure features can inform the design of advanced metamaterials for enhanced properties.
  • Previous work demonstrated damage-tolerant, lightweight designs by transferring crystal microstructure features to architected materials.

Purpose of the Study:

  • To develop a simple, polycrystal-like approach for fabricating TPMS architectures.
  • To investigate the influence of grain boundaries and packing on metamaterial properties.
  • To design and evaluate novel metamaterials inspired by crystal structures for superior mechanical performance.

Main Methods:

  • A polycrystal-like methodology was employed to create TPMS architectures.
  • Comparative analysis of cellular metamaterials with varying grain boundary types and packing arrangements (FCC vs. random).
  • Molecular dynamics (MD) simulations were used to study ballistic impact resistance of twinned diamond metamaterials.

Main Results:

  • Metamaterials with twin grain boundaries exhibited significantly increased isotropy (up to 3.61 times) compared to incoherent boundaries.
  • Face-centered cubic (FCC) grain packing demonstrated superior Young's and shear moduli and isotropy over random packing.
  • Twinning a diamond metamaterial resulted in properties exceeding those of a singular diamond lattice, comparable to fullerite, and showing enhanced toughness under ballistic impact.

Conclusions:

  • A crystal-inspired approach enables the design of high-performance metamaterials with tunable mechanical properties.
  • Twin grain boundaries and FCC packing are crucial for achieving enhanced isotropy and mechanical moduli in TPMS metamaterials.
  • The developed methodology facilitates the creation of advanced metamaterials for both macro- and microscale applications, outperforming existing structures like diamond.