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We investigate the mechanical properties of two-dimensional materials 1T-NiX2 (X = Oxygen, Sulfur, Selen, and Telu) sheets under uniaxial tension in the zigzag and armchair directions through atomic finite element method using Stillinger-Weber potential. We have determined the two-dimensional Young’s modulus in the range of (41.74 ÷ 161.62) N/m, Poisson coefficient in the range of (0.133 ÷ 0.171), the maximum two-dimensional stress in the interval (4.71 ÷ 17.43) N/m, and the tensile strain in (20.7 ÷ 23.7)%. We found that two-dimensional Young’s modulus when stretched in the zigzag and armchair directions of these materials are approximately equal. They can be considered as isometric materials under uniaxial tension. The results are important information on the mechanical properties of two-dimensional materials 1T-NiX2, which will be useful for its future applications.

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The Mechanical Properties of Two-Dimensional Materials 1T-NiX2: An Atomistic Study

  • 会议论文

  • 发表日期：

    2026年

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  • Nguyen Huu Tu,
  • Nguyen Van Thanh,
  • Pham Le Ben,
  • Vu Quoc Hien,
  • Nguyen Van Trang

摘要

We investigate the mechanical properties of two-dimensional materials 1T-NiX2 (X = Oxygen, Sulfur, Selen, and Telu) sheets under uniaxial tension in the zigzag and armchair directions through atomic finite element method using Stillinger-Weber potential. We have determined the two-dimensional Young’s modulus in the range of (41.74 ÷ 161.62) N/m, Poisson coefficient in the range of (0.133 ÷ 0.171), the maximum two-dimensional stress in the interval (4.71 ÷ 17.43) N/m, and the tensile strain in (20.7 ÷ 23.7)%. We found that two-dimensional Young’s modulus when stretched in the zigzag and armchair directions of these materials are approximately equal. They can be considered as isometric materials under uniaxial tension. The results are important information on the mechanical properties of two-dimensional materials 1T-NiX2, which will be useful for its future applications.