Atomistic simulation of screw dislocations in rock salt structured materials

1999 ◽  
Vol 79 (3) ◽  
pp. 527-536 ◽  
Author(s):  
G. W. Watson ◽  
E. T. Kelsey ◽  
S. C. Parker
Keyword(s):  
Rock Salt ◽  
Atomistic Simulation ◽  
Screw Dislocations ◽  
Structured Materials

Atomistic Simulation of ½ Screw Dislocations in BCC Tungsten

2008 ◽  
Vol 59 ◽  
pp. 247-252 ◽  
Author(s):  
Jan Fikar ◽  
Robin Schäublin ◽  
Carolina Björkas
Keyword(s):  
Screw Dislocation ◽  
Atomistic Simulation ◽  
Bond Order ◽  
Analytical Approach ◽  
Atomistic Simulations ◽  
Screw Dislocations ◽  
Atom Model ◽  
Embedded Atom ◽  
Bond Order Potential

Atomistic simulations are used to describe the ½<111> screw dislocation in tungsten. Two different embedded atom model (EAM) potentials and one bond-order potential (BOP) are compared. A new analytical approach for constructing asymmetrical screw dislocations is presented.

Accurate atomistic simulation of (a/2) 〈111〉 screw dislocations and other defects in bcc tantalum

2001 ◽  
Vol 81 (5) ◽  
pp. 1355-1385 ◽  
Author(s):  
L. H. Yang ◽  
P. Söderlind ◽  
J. A. Moriarty
Keyword(s):  
Atomistic Simulation ◽  
Screw Dislocations

Atomistic simulation of single kinks of screw dislocations in α-Fe

2009 ◽  
Vol 386-388 ◽  
pp. 26-29 ◽  
Author(s):  
Lisa Ventelon ◽  
F. Willaime ◽  
P. Leyronnas
Keyword(s):  
Atomistic Simulation ◽  
Screw Dislocations

Interaction between Lattice Dislocations and Grain Boundaries in Ordered Compounds: Theory and Experiment

1990 ◽  
Vol 186 ◽  
Author(s):  
B. J. Pestman ◽  
J. Th. M. De Hosson ◽  
V. Vitek ◽  
F.D. Tichelaar ◽  
F.W. Schapink
Keyword(s):  
Atomistic Simulation ◽  
Coherent Twin Boundary ◽  
Many Body ◽  
Screw Dislocations ◽  
Transmission Electron ◽  
Applied Shear Stress ◽  
Tilt Boundaries ◽  
In Situ Observations ◽  
Theory And Experiment

AbstractThe interaction between a screw dislocation and symmetric [1 1 0] tilt boundaries under the influence of an applied shear stress was investigated by atomistic simulation. Many-body potentials representing Cu and Ni3Al were used for the description of the interatomic forces. A comparison will be made with in-situ observations in a transmission electron microscope of the interaction of screw dislocations with a coherent twin boundary.

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