Numerical simulation of dislocation motion in three-dimensional icosahedral quasicrystals

Abstract In a large number of experiments it has been shown that plastic deformation of quasicrystals can occur by a dislocation mechanism. By molecular dynamics simulations close to zero temperature we have investigated the application of shear stress to a three-dimensional model quasicrystal consisting of Lennard—Jones particles and containing an edge dislocation of the Peierls—Nabarro type. Various visualization methods have been used to trace the dislocation line. To determine suitable Burgers vectors we have calculated the gamma surface, that is the misfit energy obtained by a rigid shift of two probe halves along a glide plane. Glide motion of the dislocation on different glide planes was observed. In its wake a plane of phasonic defects was detected.

[1]  H. Trebin,et al.  Gamma-surfaces in quasicrystals , 1999 .

[2]  Preston,et al.  Large-scale molecular dynamics simulations of dislocation intersection in copper , 1998, Science.

[3]  J. Roth,et al.  Simulation of shear stress in icosahedral quasicrystals , 1997 .

[4]  H. Trebin,et al.  Simulation of shear stress in two-dimensional decagonal quasicrystals , 1995 .

[5]  M. Wollgarten,et al.  In-situ observation of dislocation motion in icosahedral Al-Pd-Mn single quasicrystals , 1995 .

[6]  Köster,et al.  Direct evidence for plastic deformation of quasicrystals by means of a dislocation mechanism. , 1993, Physical review letters.

[7]  J. Roth,et al.  Motion of dislocations in two-dimensional decagonal quasicrystals , 1993 .

[8]  H. Trebin,et al.  Planes and rows in quasilattices , 1993 .

[9]  A. Gomez,et al.  QUASICRYSTALS and INCOMMENSURATE STRUCTURES in CONDENSED MATTER , 1990 .

[10]  Roth,et al.  Stability of monatomic and diatomic quasicrystals and the influence of noise. , 1990, Physical review. B, Condensed matter.

[11]  Ze Zhang,et al.  Transmission electron microscope observations of dislocations and stacking faults in a decagonal Al-Cu-Co alloy , 1989 .

[12]  F. Lançon,et al.  Thermodynamical properties of a two-dimensional quasi-crystal from molecular dynamics calculations , 1986 .

[13]  V. Elser,et al.  Quasicrystal structure of (Al, Zn)49Mg32 , 1986 .

[14]  Peter Kramer,et al.  Non-periodic central space filling with icosahedral symmetry using copies of seven elementary cells , 1982 .

[15]  A R Plummer,et al.  Introduction to Solid State Physics , 1967 .

[16]  F. Nabarro.  Dislocations in a simple cubic lattice , 1947 .

[17]  C. Janot,et al.  Quasicrystals: A Primer , 1992 .

[18]  J. Bohsung,et al.  Defects in quasicrystals , 1989 .

[19]  Marko V. Jarić,et al.  Introduction to the mathematics of quasicrystals , 1989 .

[20]  R. Peierls.  The size of a dislocation , 1940 .