naa a22 4500 510772307 CHVBK 20180411083218.0 cr unu---uuuuu 180411e20130201xx s 000 0 eng 10.1007/s11837-012-0507-x doi (NATIONALLICENCE)springer-10.1007/s11837-012-0507-x Formation of Nanotubes and Nanocoils by Spontaneous Self-Rolling of Aluminum (001)/(111) Bilayer [Elektronische Daten] [Jijun Lao, Dorel Moldovan] This article introduces a novel nanomechanical architecture to form pure metallic nanotubes or nanocoils via spontaneous self-rolling of initial planar free-standing bilayer thin films. Our molecular dynamics simulation results show that if the film is only a few nanometers thick, the spontaneous reorientation of the (001) top layer leads to rolling-up of the initially planar, free-standing, (001)/(111) bilayer into a tubular or coiled structure. The driving force for this process is given by the existence of an initial mismatch strain between the 2-nm-thick layers of different textures. Our detailed analysis of the reorientation process indicates that the bilayer self-rolling is determined by both energetic and kinetic processes characterizing the spontaneous structural reorientation of the top (001) textured layer to the (111) orientation of the substrate layer. Specifically, the analysis of the simulation results indicates that reorientation of the (001) top layer proceeds via a mechanism characterized by nucleation from multiple sites, propagation, and growth of the new (111)-oriented domains embedded in the original (001)-oriented layer. While individually the newly formed (111) domains grow free of defects, a region containing a surface dislocation-like linear defect forms at the boundary where two such domains meet. The equilibrium of the newly formed bilayer structure containing the surface dislocations is attained by multiple localized bendings of the bilayer structure about the direction coinciding with the dislocations line (the $$ [\bar{1}10] $$ direction). The spacing (density) of the nucleation is a function of temperature and influence the radius of curvature of the resulting structure. TMS, 2012 Lao Jijun Department of Mechanical and Aerospace Engineering, Polytechnic Institute of New York University, 11201, Brooklyn, NY, USA aut Moldovan Dorel Department of Mechanical Engineering, Louisiana State University, 70803, Baton Rouge, LA, USA aut JOM Springer US; http://www.springer-ny.com 65/2(2013-02-01), 168-174 1047-4838 65:2<168 2013 65 11837 https://doi.org/10.1007/s11837-012-0507-x text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s11837-012-0507-x text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Lao Jijun Department of Mechanical and Aerospace Engineering, Polytechnic Institute of New York University, 11201, Brooklyn, NY, USA aut NATIONALLICENCE 700 1- Moldovan Dorel Department of Mechanical Engineering, Louisiana State University, 70803, Baton Rouge, LA, USA aut NATIONALLICENCE 773 0- JOM Springer US; http://www.springer-ny.com 65/2(2013-02-01), 168-174 1047-4838 65:2<168 2013 65 11837 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer