Molecular Dynamics simulations of crack propagation mode in silica

1999 ◽  
Author(s):  
Laurent Van Brutzel ◽  
Elisabeth Bouchaud
Keyword(s):  
Molecular Dynamics ◽  
Crack Propagation ◽  
Molecular Dynamics Simulations ◽  
Propagation Mode ◽  
Dynamics Simulations

Molecular dynamics simulations of crack propagation in quasicrystals

1999 ◽  
Vol 121-122 ◽  
pp. 536-539 ◽  
Author(s):  
Hans-Rainer Trebin ◽  
Ralph Mikulla ◽  
Jörg Stadler ◽  
Gunther Schaaf ◽  
Peter Gumbsch
Keyword(s):  
Molecular Dynamics ◽  
Crack Propagation ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations

Numerical Simulations Of Plasticity And Fracture In Quasicrystals

1998 ◽  
Vol 553 ◽  
Author(s):  
Hans-Rainer Trebin
Keyword(s):  
Molecular Dynamics ◽  
Crack Propagation ◽  
Numerical Simulations ◽  
Molecular Dynamics Simulations ◽  
Large Scale ◽  
Cluster Structure ◽  
Dislocation Motion ◽  
Degree Of Freedom ◽  
Characteristic Features ◽  
Dynamics Simulations

AbstractDislocation motion and crack propagation are studied in model quasicrystals both by geometrical considerations and large scale molecular dynamics simulations. It turns out that two characteristic features of quasicrystals govern plasticity and the rough appearence of cleavage planes: the phason degree of freedom and the cluster structure.

Large Scale Molecular Dynamics Study of Amorphous Carbon and Graphite on Parallel Machines

1995 ◽  
Vol 408 ◽  
Author(s):  
J. Yu ◽  
Andrey Omeltchenko ◽  
Rajiv K. Kalia ◽  
Priya Vashishta ◽  
Donald W. Brenner
Keyword(s):  
Molecular Dynamics ◽  
Crack Propagation ◽  
Molecular Dynamics Simulations ◽  
Amorphous Carbon ◽  
Large Scale ◽  
Parallel Machines ◽  
External Stress ◽  
Graphite Sheet ◽  
Bond Order Potential ◽  
Dynamics Simulations

AbstractUsing a reactive empirical bond-order potential (REBOP) model for hydrocarbons1, large scale molecular dynamics simulations of carbon systems are carried out on parallel machines. Structural and dynamical correlations of amorphous carbon at various densities are studied. The calculated structure factor agrees well with neutron scattering experiments and the results of tightbinding molecular dynamics simulations. The dynamic behavior of crack propagation through graphite sheet is also investigated with the molecular-dynamics method. Effects of external stress and initial notch shape on crack propagation in graphite are studied. It is found that graphite sheet fractures in a cleavage-like or branching manners depending on the orientations of the graphite sheet with respect to the external stress. The roughness of crack surfaces is analyzed. Two roughness exponents are observed in two different regions.

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