Atomistic calculations of mechanical properties of Ni-Ti-C metallic glass systems
J Chun and B Lee, JOURNAL OF MECHANICAL SCIENCE AND TECHNOLOGY, 27, 775-781 (2013).
We report the mechanical properties of Ni-Ti-C metallic glass systems calculated with the modified embedded-atom method. The interatomic potential parameters of the ternary system and binary subsystems Ni-Ti and Ti-C have been fit to the first principles data. The calculated Young's modulus increases when carbon impurities are added into amorphous Ni-Ti, and 5% carbon inclusion leads to 12% increase in the Young's modulus. Given that the amorphous Ni-Ti is softer than the crystalline counterpart, carbon impurities may play a crucial role to compensate the softening due to the glass formation and enhance the resistance to deformation of the systems under uniaxial stress.
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