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Pedro C. Andia Ph.D. Candidate, Penn State University On Local and Global Mechanical Properties of Particle Systems
Two approaches are presented for understanding and evaluating mechanical
properties of particle systems via molecular dynamics simulations. The
first approach is based on fundamental concepts of elasticity and is capable
of capturing the variation of residual stresses and elastic moduli as
functions of position within the system. Theory and application to a system
of particles resulting from a 2-D parallel simulation of thin film
deposition are presented. The second approach, which is work in progress,
focuses in understanding effective mechanical properties from a continuum
homogenization viewpoint in a context of large deformations. Basic ideas and
theoretical results are presented. |
