Abstract
The full elasticity tensor for nano-crystalline copper is derived in molecular simulations by performing numerical tests for a set of generated samples of the polycrystalline material. The results are analysed with respect to the anisotropy degree of the overall stiffness tensor resulting from the limited number of grain orientations and their spatial distribution. The dependence of the overall bulk and shear moduli of an isotropized polycrystal on the average grain diameter is analysed. It is found that while the shear modulus decreases with grain size, the bulk modulus shows negligible dependence on the grain diameter and is close to the bulk modulus of a single crystal. A closed-form mean-field model of effective elastic properties for a bulk nano-grained polycrystal with cubic grains, i.e. made of a material with cubic symmetry, is formulated. In the model all parameters are based on the data for a single crystal and on the averaged grain size without any need for additional fitting. It is shown that the proposed model provides predictions of satisfactory qualitative and quantitative agreement with atomistic simulations.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
