Biomedical subjects

S M Foiles

Publications and source records attributed to S M Foiles.

2 recordsLinked to original sources

PubMed2006

Equilibrium adsorption at crystal-melt interfaces in Lennard-Jones alloys.

Although the properties of crystal-melt interfaces have been extensively studied in pure materials, effects of alloying on the interfacial free energy remain relatively poorly understood. In this work we make use of Monte Carlo computer simulations for model binary Lennard-Jones alloys to explore the effects which variations in atomic-size mismatch and the chemical contributions to mixing energies have upon density and composition profiles, as well as the resulting magnitudes of equilibrium adsorption coefficients in concentrated alloys. We study four different model systems covering a range of chemical and size mismatch, finding relatively small adsorption values which are nevertheless statistically different from zero.

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PubMed2001

Surface step effects on nanoindentation.

Atomistic simulation is used to examine nanoindentation of a Au(111) crystal both near and far from a surface step. While the load needed to nucleate dislocations decreases significantly when indenting close to the step, the extent of the step's influence is not as great as seen experimentally. This behavior is explained by measuring the contact area from the simulation data. A new metric, the slip vector, shows material slip coinciding with the <112> directions of a lowest unstable stacking fault barrier. The slip vector is used to calculate an atomic critical resolved shear stress, which is shown to be a good dislocation nucleation criterion.

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