Simulation and study of the modulus of elasticity of nanocrystalline materials |
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Authors: | Sun Wei Chang Ming Yang Baohe |
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Institution: | Tianjin Institute of Science and Technology, Tianjin 300380, P.R.China |
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Abstract: | In this paper, a molecular dynamics simulations are provided for atomic structure of nanocrystals (1–3 nm) by which the lattice
parameter of X-ray diffraction, cohesive energy and modulus of elasticity were computed. The results show that the structure
of grain and grain boundaries in the same in both nanocrystal and coarse grain materials. The decrease of grain size and the
increase volume fraction of grain boundaries lead to a series of different features, the modulus of elasticity of nanocrystalline
materials have been found to be much reduced.
Project supported by the Natural Science Foundation of Tianjin |
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Keywords: | molecular dynamics nanocrystal X_ray modulu s of elasticity |
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