Mississippi State University
Horstemeyer, F. Mark
Gullett, M. Philip
German, M. Randall
Daniewicz, R. Steven
Date of Degree
Graduate Thesis - Open Access
Master of Science
James Worth Bagley College of Engineering
Department of Mechanical Engineering
Molecular dynamics simulations using the Embedded Atom Method were performed to describe the interparticle behavior of two single crystal spherical nickel nanoparticles during compaction based on applied strain rate, particle size, contact angle, and crystal orientation. The evolution of the contact surfaces was analyzed during the molecular dynamics simulation and an investigation of friction effects was conducted at the contact surfaces. The results from the current study were validated by comparing them to previous nanocrystalline research on bulk particle deformation and to previous studies of elasto-plastic contact laws between two macroscale spherical particles. These quantified friction effects give a better understanding of nanoparticle behavior and will be used to develop constitutive equations for larger scale models, such as finite element analysis.
Stone, Tonya Williams, "Molecular dynamics simulations of nanoparticle interactions" (2006). Theses and Dissertations. 3184.