@article{MAKHILLAJ20116120421, title = {A New Simulation Method for Characterization of Mechanical Properties of Nanomaterials}, journal = {Agricultural Journal}, volume = {6}, number = {1}, pages = {7-9}, year = {2011}, issn = {1816-9155}, doi = {aj.2011.7.9}, url = {https://makhillpublications.co/view-article.php?issn=1816-9155&doi=aj.2011.7.9}, author = {H. and}, keywords = {Simulation methods,mechanical properties,atomic scale,grain boundries,Iran}, abstract = {A new simulation method has been developed and used to model mechanical properties of materials at many different length scales, from the nanoscale where an atomic description is appropriate, through a mesoscale where dislocation based descriptions may be useful to macroscopic length scales. In some materials, such as nanocrystalline metals, the range of length scales is compressed and a polycrystalline material may be simulated at the atomic scale. It is observed how the grain boundaries contribute actively to the deformation. At grain sizes below 5-10 nm deformation in the grain boundaries dominate over the traditional dislocation-based deformation mechanisms. This results in a reversal of the normal grain size dependence of the yield stress. It is shown that the material becomes softer when the grain size is reduced.} }