The conformational states of low-dimensional carbon nanostructures will be studied in an integrated program involving experiment and simulation. The conformational states influence critical properties such as the packing and stacking, surface energy, deformation energy, stiffness, strength, electronic/thermal transport, and chemical reactivity. Developing understanding of why one-dimensional and two-dimensional carbon nanostructures adopt such conformations is essential for applications such as nanocomposites, nanoscale sensors/actuators (NEMS), and for use as components for nanoelectronics, among others. Our proposed effort is motivated by the current lack of a computational and experimental framework to represent, model, and simulate on the one hand, and on the other to experimentally measure the conformational states. A multi-scale modeling/simulational framework will be integrated with experimental measurements of the 3-dimensional geometry of individual carbon nanostructures using scanning and transmission electron, and atomic force, microscopy.
The proposed topic represents an opportunity to pursue an important new direction of research. Graduate and undergraduate students will have the opportunity to do forefront scientific research of practical importance and should grow into future leaders by performing discovery-based research, contributing important scientific papers, and by giving presentations at international conferences. The proposal also includes a significant outreach program, including research for graduate and undergraduate students, summer training for undergraduate (including minority) students and high school teachers, additions to course materials being offered in engineering courses, K-12 summer science camps, and curriculum development for grades 7-12.
