RESEARCH
Click each heading below to learn more about current research projects.
Nucleation of dislocations from symmetric tilt grain boundaries in Cu and Al
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This work focuses on the behavior of homogeneous FCC metallic interface on the nanoscale. Specifically, atomistic calculations (molecular statics and molecular dynamics) with embedded-atom method potentials are used to study the fundamental failure processes that occur at a bicrystal interface in Cu and Al as a results of a mechanical deformation. Potential releationships bewteen interface structure and interface properties and morphology are discussed.
Homogeneous dislocation nucleation in single crystal Cu and Al
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Atomistic simulations are used to investigate how the stress required for homogeneous nucleation of partial dislocations in single crystal copper under uniaxial tension changes as a function of crystallographic orientation. Results indicate that non-Schmid parameters are required to describe dislocation nucleation for certain single crystal orientations.
Plasticity in copper-antimony solid solution alloys
Molecular dynamics (MD) simulation is used to study dislocation nucleation in copper single crystals doped with low concentrations of antimony. The effect of Sb concentration (at%) and crystallographic orientation on the stress required for dislocation nucleation is presented. Nucleation of partial dislocations is observed near the Sb atoms for all concentrations considered, implying that the lattice strain caused by the substitutional defect is sufficient to act as a heterogeneous site for dislocation nucleation.
Self-assembly of polymer chains in nanoconfined regions
The behavior of a liquid dielectric (n-decane) in nanoconfinement (<3nm) between metallic surfaces is investigated using molecular dynamics simulations. Results show a four-fold increase in the density of n-decane indicating 'quasi-solid' behavior at the polymer-metal interface. The effect of such quasi-solid medium is demonstrated through the experimental observations of electrical breakdown during nano-electrical machining (nano-EM).
