Molecular Dynamics Simulations of Elastic Response and Tensile Failure of Alumina†

Langmuir ◽  
1996 ◽  
Vol 12 (19) ◽  
pp. 4605-4609 ◽  
Author(s):  
F. H. Streitz ◽  
J. W. Mintmire
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Tensile Failure ◽  
Elastic Response ◽  
Dynamics Simulations

Length-dependent dual-mechanism-controlled failure modes in silver penta-twinned nanowires

Nanoscale ◽  
2018 ◽  
Vol 10 (44) ◽  
pp. 20565-20577 ◽  
Author(s):  
Tianshou Liang ◽  
Dejian Zhou ◽  
Zhaohua Wu ◽  
Pengpeng Shi ◽  
Xiaoyong Chen
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Failure Modes ◽  
Failure Mechanisms ◽  
Tensile Failure ◽  
Fracture Surfaces ◽  
Dynamics Simulations ◽  
Dual Mechanism

A series of molecular dynamics simulations on silver penta-twinned nanowires are performed to reveal the tensile failure mechanisms that are responsible for the different failure modes and morphologies of fracture surfaces observed in various experimental reports.

Molecular Dynamics Study of the Elastic Response of Crystalline, Amorphous and Chemically Disordered NiZr2

1990 ◽  
Vol 205 ◽  
Author(s):  
Carlo Massobrio ◽  
Vittorio Rosato ◽  
Francois Willaime
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Elastic Constants ◽  
Order Parameter ◽  
Elastic Response ◽  
Range Order Parameter ◽  
Long Range Order ◽  
Amorphous Phases ◽  
Antisite Defects ◽  
Dynamics Simulations

AbstractWe calculate the shear elastic constants of the alloy NiZr2 by molecular dynamics simulations in the crystalline and amorphous phases as well as upon introduction of antisite defects in the crystal at T=300K. For S (long range order parameter) equal to 0.5, the system is amorphous and C' is larger than the same quantity relative to the crystal whereas C44 and C66 are smaller.

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