Fracture of Nanophase Ceramics: A Molecular-Dynamics Study

1996 ◽  
Vol 457 ◽  
Author(s):  
Aiichiro Nakano ◽  
Rajiv K. Kalia ◽  
Andrey Omeltchenko ◽  
Kenji Tsuruta ◽  
Priya Vashishta
Keyword(s):  
Molecular Dynamics ◽  
Silicon Nitride ◽  
Load Balancing ◽  
Molecular Dynamics Simulations ◽  
Dynamic Fracture ◽  
Parallel Computers ◽  
Fracture Surfaces ◽  
Affine Structures ◽  
Dynamics Simulations ◽  
Multiscale Algorithms

ABSTRACTNew multiscale algorithms and a load-balancing scheme are combined for molecular-dynamics simulations of nanocluster-assembled ceramics on parallel computers. Million-atom simulations of the dynamic fracture in nanophase silicon nitride reveal anisotropie self-affine structures and crossover phenomena associated with fracture surfaces.

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.

InAs/GaAs square nanomesas: Multimillion-atom molecular dynamics simulations on parallel computers

2003 ◽  
Vol 94 (10) ◽  
pp. 6762-6773 ◽  
Author(s):  
Xiaotao Su ◽  
Rajiv K. Kalia ◽  
Aiichiro Nakano ◽  
Priya Vashishta ◽  
Anupam Madhukar
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Parallel Computers ◽  
Dynamics Simulations
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