Au biaxial compression 20% engineering strain
Department of Microsystems Engineering, University of Freiburg, Georges-Köhler-Allee 103, 79110 Freiburg, Germany
Material, Physical and Chemical Sciences Center, Sandia National Laboratories, Albuquerque, NM 87123, USA
Institute for Applied Materials, Karlsruhe Institute of Technology, 76131 Karlsruhe, Germany
Cluster of Excellence livMatS, Freiburg Center for Interactive Materials and Bioinspired Technologies, University of Freiburg, Georges-Köhler-Allee 105, 79110 Freiburg, Germany
This surface is the result of a Molecular Dynamics simulation of bi-axial compression of single crystal Au. The initial configuration was an Au cube with side length 100 nm. The x- and y-directions of the simulation cell were parallel to the [-110] and [-1-12] directions of the crystal, respectively. The z-direction was parallel to the [111] crystal direction. The x- and y-directions were periodic, but the z-direction was free, hence the crystal had free surfaces along z. The present surface is the free surface in positive z-direction. The surface was initially an atomically flat (111) facet, but roughened by plastic deformation. The crystal was deformed with a rate of 1e8 s^-1 at a temperature of 100K. The temperature was controlled using a Dissipative Particle Dynamics thermostat. This dataset contains the surface at 20% engineering strain (side length ca. 80.1 nm). The simulations have been reported in the following publication: Hinkle, A. R.; Nöhring, W. G.; Leute, R.; Junge, T.; Pastewka, L. The Emergence of Small-Scale Self-Affine Surface Roughness from Deformation. Science Advances 2020, 6 (7), eaax0847. https://doi.org/10.1126/sciadv.aax0847. See this publication for additional information.