Continuous Zachariasen carbon monolayers under tensile deformation: Insights from molecular dynamics simulations

2020 ◽  
Vol 38 ◽  
pp. 100744
Author(s):  
Firaz Ebrahem ◽  
Jan Stratmann ◽  
Marcus Stoffel ◽  
Bernd Markert ◽  
Franz Bamer
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Tensile Deformation ◽  
Dynamics Simulations

Molecular Dynamics Simulations of Dislocation Nucleation From Bicrystal Interfaces in FCC Metals

Materials ◽  
2005 ◽  
Author(s):  
Douglas E. Spearot ◽  
Karl I. Jacob ◽  
David L. McDowell
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Tensile Deformation ◽  
Dislocation Nucleation ◽  
Atomistic Simulations ◽  
Structural Units ◽  
Fcc Metals ◽  
Deformation Response ◽  
Dynamics Simulations

Atomistic simulations are used to study dislocation nucleation from <001> tilt bicrystal interfaces in copper subjected to a tensile deformation. Specifically, three interface misorientations are examined, including the Σ5 (310) interface, which has a high density of coincident atomic sites. The initial interface configurations, which are discussed in terms of structural units, are refined using energy minimization techniques. Molecular dynamics simulations are then used to deform each interface in tension. The role of boundary conditions and their effect on the inelastic deformation response is discussed in detail. Molecular dynamics simulations show that the interface structural units are directly involved in the partial dislocation nucleation process. The maximum tensile strength of the Σ5 (310) interface shows a modest increase in the case where lateral confinement of the interface is an important consideration.

scholarly journals Tensile Deformation of Al Thin Films Studied by In-situ TEM and Molecular Dynamics Simulations

2021 ◽  
Vol 27 (S2) ◽  
pp. 71-72
Author(s):  
Lucia Bajtošová ◽  
Barbora Křivská ◽  
Jozef Veselý ◽  
Miroslav Cieslar ◽  
Jan Hanuš ◽  
...  
Keyword(s):  
Thin Films ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Tensile Deformation ◽  
In Situ Tem ◽  
Dynamics Simulations

Effect of the Length on the Tensile Deformation of Nickel Nanowires Using Molecular Dynamics Simulations

2017 ◽  
Vol 23 (11) ◽  
pp. 11549-11552
Author(s):  
A. G. N Sofiah ◽  
M Samykano ◽  
J. Rivas Murillo ◽  
N. A. C Lah ◽  
D Ramasamy ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Tensile Deformation ◽  
Nickel Nanowires ◽  
Dynamics Simulations
Sign in / Sign up

Export Citation Format

Share Document