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December 9, 2025The Journal of Physical Chemistry B0 citations

Synergistic Strength-Plasticity of NiAl Nanocrystals via Twin and Grain Boundary Modulation

The Realization of Synergistic Strength-Plasticity Effect for NiAl Nanocrystal by Modulating Twin and Grain Boundary

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Authors

XTXiuzhen TangYLYongchao LiangYPYuanwei Pu

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Overview

Molecular dynamics simulations demonstrate enhanced tensile strength in nanocrystals, implying improved plastic deformation modes in Ni-based alloys.

Key Points

  • This research aims to optimize the balance of strength and plasticity in Ni-based alloys using nanocrystal design.
  • Designed heterogeneous microstructure containing nanotwin crystals
  • Utilized molecular dynamics simulations to analyze effects
  • Studied effect of twin boundaries and grain boundaries on mechanical properties
  • Increased tensile strength and modulus of elasticity with pinch angle > 45.29°
  • Twin-polycrystalline NiAl alloys show higher synergies in strength and plasticity
  • Reduced grain size leads to local softening, undermining conventional grain boundary strengthening

Cite This Study

Tang et al. (2025) studied this question.

synapsesocial.com/papers/69401d622d562116f28f8dd4https://doi.org/10.1021/acs.jpcb.5c07069
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Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

  1. 1Twin spacing and grain size dependent tensile deformation mechanism of a nano-ploycrystalline Ni-based alloy2024 · 5 citations
  2. 2Mechanical Behavior and Deformation Mechanism of NiAl Alloy With Gradient Structure by Molecular Dynamics2026 · 1 citations
  3. 3Strengthening Nanotwinned Al by Twin Boundary Orientation and Spacing: A Molecular Dynamics Simulation Study2025
  4. 4Effect of biphasic interface on mechanical properties and deformation mechanism of nickel base alloy2024 · 2 citations
  5. 5Mechanical Behavior of Gradient-Structured Nano-Crystalline NiCoAl Alloy2026