Carbon Structures
Carbon nanotubes (CNTs) have been studied extensively since their discovery in the early 1990s. They have practically unmatched mechanical stiffness and strength, conduct electrons ballistically over hundreds of nanometers, and have exceptional thermal, optical, and magnetic properties. With these characteristics, CNTs and related nanomaterials will play many roles in future advanced technologies ranging from high-performance composites to field emission displays to nanoscale electronic devices. Recently, carbon nanotubes and nanodiamond have emerged as the more advanced and fascinating forms of crystalline carbons. The outstanding mechanical, chemical, electronic and thermal properties of these nanomaterials suggest wide applicability in advanced technological areas. However the control of growth locations and orientation of such nanostructures and the production of well defined architectures on micro- and nano-scale is necessary for the development of high performance materials.Simulations
Transformation from Nanotube to Nanowire
Tube with a vacancy; 1500.0 K; 0.062643 Ang/ps; Good evidence for "necking".
Nanotube Breaking Under Strain
Tube with a Stone-Wales defect; 320.0 K; 0.12528 Ang/ps; In almost all simulations, the tube simply breaks. Seems that a Stone-Wales defect is not enough. The tube elongates too much, and when the plastic deformation happens, the temperature raises so much that no wire can survive.