Grain size, stress and surface roughness

In this article, we report molecular dynamics (MD) simulations on the formation of roughness at the surface of strained polycrystalline aluminum samples at 300 K. The computed roughness increases as a function of applied strain but does not follow a linear law for all applied strains. A linear relationship with a small slope is obtained in the elastic domain. Then, the roughness increases rapidly with the applied strain in the plastic domain studied. Moreover, the surface roughness increases as a function of grain size (between 5 and 20 nm) in the plastic domain (<6%).

[1]  K. Jacobsen,et al.  Atomic-scale simulations of the mechanical deformation of nanocrystalline metals , 1998, cond-mat/9812102.

[2]  A. Nakano,et al.  Molecular dynamics simulations of the nano-scale room-temperature oxidation of aluminum single crystals , 2005 .

[3]  R. Mahmudi,et al.  Surface roughening during uniaxial and equi-biaxial stretching of 70-30 brass sheets , 1998 .

[4]  A. Dereux,et al.  Mapping the 3D-surface strain field of patterned tensile stainless steels using atomic force microscopy. , 2005, Ultramicroscopy.

[5]  P. Derlet,et al.  The role played by two parallel free surfaces in the deformation mechanism of nanocrystalline metals: A molecular dynamics simulation , 2002 .

[6]  Berend Smit,et al.  Understanding Molecular Simulation , 2001 .

[7]  O. Politano,et al.  An empirical method to determine the free surface energy of solids at , 2005 .

[8]  Hasan Mulki,et al.  Changes in surface texture of zinc-coated steel sheets under plastic deformation , 1996 .

[9]  M. Finnis,et al.  A simple empirical N-body potential for transition metals , 1984 .

[10]  Alfredo Caro,et al.  Grain-boundary structures in polycrystalline metals at the nanoscale , 2000 .

[11]  C. Domain,et al.  Atomistic modeling of an Fe system with a small concentration of C , 2007 .

[12]  M. Parrinello,et al.  Crystal structure and pair potentials: A molecular-dynamics study , 1980 .

[13]  A. Perron,et al.  Formation of surface roughness on nanocrystalline aluminium samples under straining by molecular dynamics studies , 2007 .

[14]  J.Th.M. De Hosson,et al.  On the evolution of surface roughness during deformation of polycrystalline aluminum alloys , 2005 .

[15]  James B. Adams,et al.  Interatomic Potentials from First-Principles Calculations: The Force-Matching Method , 1993, cond-mat/9306054.

[16]  Johnson Alloy models with the embedded-atom method. , 1989, Physical review. B, Condensed matter.

[17]  M. Nygårds,et al.  A study of the surface deformation behaviour at grain boundaries in an ultra-low-carbon steel , 2003 .

[18]  M. Baskes,et al.  Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals , 1984 .