Texture of nanocrystalline solids: atomic scale characterization and applications

A methodology is presented to characterize the crystallographic texture of atomic configurations on the basis of Euler angles. Texture information characterized by orientation map, orientation distribution function, texture index, pole figure and inverse pole figure is obtained. The paper reports the construction and characterization of the texture of nanocrystalline configurations with different grain numbers, grain sizes and percentages of preferred orientation. The minimum grain number for texture-free configurations is ∼2500. The effect of texture on deducing grain size from simulated X-ray diffraction curves is also explored as an application case of texture analysis. In addition, molecular dynamics simulations are performed on initially texture-free nanocrystalline Ta under shock-wave loading, which shows a 〈001〉 + 〈111〉 double fiber texture after shock-wave compression.