Description
We discuss the results of very large scale Non-Equilibrium Molecular Dynamics simulations for polycrystalline Al‑Al and Al‑Ta interfaces. Initial grain sizes of 13, 20, and 50 nm were considered with maximal sample sizes of 1.8 B atoms and maximal times to 10 s of ns. We observe independence of the frictional force to initial grain size in the velocity regime of 20‑4000 m/s for nominal material pressures of 15 GPa. The steady sliding state is characterized by a quasi-periodic sequence of grain growth and refinement which we discuss. A scaling analysis in terms of a power scaling for the frictional force as a function of v/v c for v/v c >1, which characterized single crystal sliding, remains valid for the polycrystalline materials.
Recommended Citation
Hammerberg, J. (2014). Nonequilibrium molecular dynamics simulations of grain dynamics at ductile metal interfaces. In A. Bajaj, P. Zavattieri, M. Koslowski, & T. Siegmund (Eds.). Proceedings of the Society of Engineering Science 51st Annual Technical Meeting, October 1-3, 2014 , West Lafayette: Purdue University Libraries Scholarly Publishing Services, 2014. https://docs.lib.purdue.edu/ses2014/mss/cppt/15
Nonequilibrium molecular dynamics simulations of grain dynamics at ductile metal interfaces
We discuss the results of very large scale Non-Equilibrium Molecular Dynamics simulations for polycrystalline Al‑Al and Al‑Ta interfaces. Initial grain sizes of 13, 20, and 50 nm were considered with maximal sample sizes of 1.8 B atoms and maximal times to 10 s of ns. We observe independence of the frictional force to initial grain size in the velocity regime of 20‑4000 m/s for nominal material pressures of 15 GPa. The steady sliding state is characterized by a quasi-periodic sequence of grain growth and refinement which we discuss. A scaling analysis in terms of a power scaling for the frictional force as a function of v/v c for v/v c >1, which characterized single crystal sliding, remains valid for the polycrystalline materials.