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Showing 1–4 of 4 results
Advanced filters: Author: Subrahmanyam Pattamatta Clear advanced filters

  • Here the authors propose a crystal thermodynamics framework describing the tensor stress induced phase transformations in solids based on nonlinear elasticity and first principles calculations. The proposed approach enables balanced design of high-strength, high-ductility materials.

    • A. S. L. Subrahmanyam Pattamatta
    • David J. Srolovitz
    ResearchOpen Access
    Nature Communications
    Volume: 13, P: 1-8

  • The strength-ductility trade-off has been a long-standing problem for alloy development. Here the authors present a route for designing high-entropy alloys to overcome this trade-off via short-range ordering shown by combined Monte Carlo, molecular dynamic, and density-functional theory simulations.

    • Shuai Chen
    • Zachary H. Aitken
    • Yong-Wei Zhang
    ResearchOpen Access
    Nature Communications
    Volume: 12, P: 1-11

  • Ni can exist in both FCC and HCP phases, and is a key metal for structural applications. Here, a deep potential for atomistic simulations of nickel is derived from spin-polarized DFT calculations, and found to accurately predict the properties of both FCC and HCP phases.

    • Xiaoguo Gong
    • Zhuoyuan Li
    • David J. Srolovitz
    ResearchOpen Access
    Communications Materials
    Volume: 5, P: 1-12