scholarly journals Analysis of Single-Crystalline Iron Tensile Deformation Using Approximation Neglecting Fluctuations and Molecular Dynamics Simulation

1994 ◽  
Vol 37 (2) ◽  
pp. 143-148
Author(s):  
Tomio Iwasaki ◽  
Naoya Sasaki ◽  
Norimasa Chiba ◽  
Yasuo Abe
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Tensile Deformation ◽  
Dynamics Simulation ◽  
Single Crystalline

Molecular Dynamics Simulation of Crack Initiation of Aluminum under Tensile Deformation

2011 ◽  
Vol 378-379 ◽  
pp. 7-10
Author(s):  
Gui Xue Bian ◽  
Yue Liang Chen ◽  
Jian Jun Hu ◽  
Li Xu
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Elastic Constants ◽  
Tensile Deformation ◽  
Crack Nucleation ◽  
Tensile Load ◽  
Dynamics Simulation ◽  
Metal Aluminum ◽  
Impurity Metal

Molecular dynamics simulation was used to simulate the tension process of purity and containing impurity metal aluminum. Elastic constants of purity and containing impurity metal aluminum were calculated, and the effects of impurity on the elastic constants were also studied. The results show that O-Al bond and Al-Al bond near oxygen atoms could be the sites of crack nucleation or growth under tensile load, the method can be extended to research mechanical properties of other metals and alloys structures.

Molecular Dynamics Simulation of Surface Effect on Tensile Deformation of Single Crystalline Copper

2014 ◽  
Vol 620 ◽  
pp. 61-66 ◽  
Author(s):  
Qiang Gao ◽  
Yong Bo Guo ◽  
Ying Chun Liang ◽  
Qing Chun Zhang
Keyword(s):  
Molecular Dynamics ◽  
Tensile Deformation ◽  
Surface Effect ◽  
High Energy ◽  
Dislocation Nucleation ◽  
Atomic Scale ◽  
Dynamics Simulation ◽  
Crystal Plane ◽  
Single Crystalline ◽  
Tensile Process

Based on molecular dynamics method, the tensile process of single crystalline Cu nanorod and single crystalline Cu bulk were simulated at atomic scale. The motion of atoms, total energy of atom-strain curves and number of dislocation atom-strain curves during the tensile process were acquired. The results shown that surface effect has a significant effect on the tensile mechanical properties of single crystalline Cu nanorod. For single crystalline Cu nanorod, the energy of atoms in the edges and surface were higher than the energy of atoms inside the nanorod. Dislocations nucleation in the edges that with high energy and extend along the {111} crystal plane. The nanorods produce plastic deformation and shows excellent ductility under the "dislocation nucleation-energy rising and dislocation layers cross-slip" mechanism of the alternating cycle. For single crystalline Cu bulk, dislocation nucleation randomly and extend to the entire simulation model along the {111} crystal plane quickly. The single crystalline bulk Cu produce fracture under the "microscopic vacancy-microscopic hole-penetration of microscopic holes-fracture" mechanism.

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