Self-locking of a modulated single overlayer in a nanotribology simulation

Abstract Molecular dynamics simulations of a single layer with +10% mismatch deposited on a (001) surface of an fcc substrate are reported. Lennard–Jones pair interactions are used. At equilibrium, the overlayer exhibits a triangular structure, one edge of which is parallel to the [ 1 10] direction of the fcc substrate lattice. This direction displays a modulation of the interatomic distances. Constant external forces are then applied parallel to the modulation axis, which is the easy sliding direction; an amplitude of 0.2σ/e per atom is enough to initiate sliding motion. A spectacular reorganization of the monolayer then occurs with a 90° rotation of the modulation direction and a self-locking of the motion. A microscopic mechanism for this gradual reorganization is suggested.

[1]  Sliding Friction in the Frenkel-Kontorova Model , 1995, cond-mat/9510058.

[2]  J. Sokoloff,et al.  Free sliding in lattices with two incommensurate periodicities , 1978 .

[3]  Robbins,et al.  Shear flow near solids: Epitaxial order and flow boundary conditions. , 1990, Physical review. A, Atomic, molecular, and optical physics.

[4]  S. Ciraci,et al.  ATOMIC-SCALE STUDY OF DRY SLIDING FRICTION , 1997 .

[5]  J. Krim,et al.  Dominance of Phonon Friction for a Xenon Film on a Silver (111) Surface , 1997 .

[6]  M. Robbins,et al.  Origin of Stick-Slip Motion in Boundary Lubrication , 1990, Science.

[7]  J. Sokoloff,et al.  EFFECTS OF SURFACE DEFECTS ON FRICTION FOR A THIN SOLID FILM SLIDING OVER A SOLID SURFACE , 1998 .

[8]  M. Hove,et al.  The surface reconstructions of the (100) crystal faces of iridium, platinum and gold: II. Structural determination by LEED intensity analysis , 1981 .

[9]  S. Nosé,et al.  Constant pressure molecular dynamics for molecular systems , 1983 .

[10]  R. V. D. Oetelaar,et al.  Atomic-scale friction on diamond(111) studied by ultra-high vacuum atomic force microscopy , 1997 .

[11]  Kishi,et al.  Load dependence of two-dimensional atomic-scale friction. , 1995, Physical review. B, Condensed matter.

[12]  B. Persson.  Theory of friction and boundary lubrication , 1993 .

[13]  U. Landman,et al.  Nanotribology: friction, wear and lubrication at the atomic scale , 1995, Nature.

[14]  Chris Marone,et al.  The effect of loading rate on static friction and the rate of fault healing during the earthquake cycle , 1998, Nature.

[15]  Persson.  Theory and simulation of sliding friction. , 1993, Physical review letters.

[16]  Krim,et al.  Q-factors of quartz oscillator modes as a probe of submonolayer-film dynamics. , 1986, Physical review. B, Condensed matter.

[17]  Gabor A. Somorjai,et al.  The surface reconstructions of the (100) crystal faces of iridium, platinum and gold. I. Experimental observations and possible structural models , 1981 .

[18]  C. Caroli,et al.  Dry Friction as a Hysteretic Elastic Response , 1996 .

[19]  M. Tsukada,et al.  Load dependence of the frictional-force microscopy image pattern of the graphite surface , 1998 .

[20]  B. Persson.  Theory of friction: Dynamical phase transitions in adsorbed layers , 1995 .

[21]  Bo N. J. Persson,et al.  Physics of sliding friction , 1996 .

[22]  C. Scholz.  Earthquakes and friction laws , 1998, Nature.

[23]  Kobayashi,et al.  Atomic-scale friction image of graphite in atomic-force microscopy. , 1996, Physical review. B, Condensed matter.

[24]  Jacqueline Krim,et al.  FRICTION AT THE ATOMIC SCALE , 1996 .

[25]  A. Ghazali,et al.  Pb/Cu (100) surface superstructures: Monte Carlo and molecular dynamics simulations , 1997 .

[26]  F. Heslot,et al.  Creep, stick-slip, and dry-friction dynamics: Experiments and a heuristic model. , 1994, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.

[27]  Ernst Meyer,et al.  Mechanism of Atomic Friction , 1995 .