TY  - JOUR
ID  - eprints3027
VL  - 118
Y1  - 2015///
AV  - none
TI  - Crack propagation in graphene
JF  - Journal of Applied Physics
IS  - 6
UR  - http://scitation.aip.org/content/aip/journal/jap/118/6/10.1063/1.4928316
SN  - 0021-8979
A1  - Budarapu, Pattabhi R.
A1  - Javvaji, Brahmanandam
A1  - Sutrakar, V. K.
A1  - Roy Mahapatra, D.
A1  - Zi, Goangseup
A1  - Rabczuk, Timon
N2  - The crack initiation and growth mechanisms in an 2D graphene lattice structure are studied based on molecular dynamics simulations. Crack growth in an initial edge crack model in the arm-chair and the zig-zag lattice configurations of graphene are considered. Influence of the time steps on the post yielding behaviour of graphene is studied. Based on the results, a time step of 0.1?fs is recommended for consistent and accurate simulation of crack propagation. Effect of temperature on the crack propagation in graphene is also studied, considering adiabatic and isothermal conditions. Total energy and stress fields are analyzed. A systematic study of the bond stretching and bond reorientation phenomena is performed, which shows that the crack propagates after significant bond elongation and rotation in graphene. Variation of the crack speed with the change in crack length is estimated.
ER  -