Theses and Dissertations
Issuing Body
Mississippi State University
Advisor
Horstemeyer, F. Mark
Committee Member
Gullett, M. Philip
Committee Member
German, M. Randall
Committee Member
Daniewicz, R. Steven
Committee Member
Hammi, Youssef
Date of Degree
5-13-2006
Document Type
Graduate Thesis - Open Access
Major
Mechanical Engineering
Degree Name
Master of Science
College
James Worth Bagley College of Engineering
Department
Department of Mechanical Engineering
Abstract
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.
URI
https://hdl.handle.net/11668/15230
Recommended Citation
Stone, Tonya Williams, "Molecular dynamics simulations of nanoparticle interactions" (2006). Theses and Dissertations. 3184.
https://scholarsjunction.msstate.edu/td/3184
Comments
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