Influence of dislocation density on the pop-in behavior and indentation size effect in CaF2 single crystals: Experiments and molecular dynamics simulations

2011 ◽  
Vol 59 (11) ◽  
pp. 4264-4273 ◽  
Author(s):  
M.A. Lodes ◽  
A. Hartmaier ◽  
M. Göken ◽  
K. Durst
Keyword(s):  
Molecular Dynamics ◽  
Dislocation Density ◽  
Size Effect ◽  
Molecular Dynamics Simulations ◽  
Single Crystals ◽  
Indentation Size Effect ◽  
Indentation Size ◽  
Dynamics Simulations

scholarly journals A Molecular Dynamics Simulations Study of the Influence of Prestrain on the Pop-In Behavior and Indentation Size Effect in Cu Single Crystals

Materials ◽  
2021 ◽  
Vol 14 (18) ◽  
pp. 5220
Author(s):  
Rongguang Xu ◽  
Hengxu Song ◽  
Yongsheng Leng ◽  
Stefanos Papanikolaou
Keyword(s):  
Molecular Dynamics ◽  
Residual Stresses ◽  
Size Effect ◽  
Molecular Dynamics Simulations ◽  
Single Crystals ◽  
Mechanical Response ◽  
Indentation Size Effect ◽  
Deformation Mechanisms ◽  
Indentation Size ◽  
Dynamics Simulations

The pop-in effect in nanoindentation of metals represents a major collective dislocation phenomenon that displays sensitivity in the local surface microstructure and residual stresses. To understand the deformation mechanisms behind pop-ins in metals, large scale molecular dynamics simulations are performed to investigate the pop-in behavior and indentation size effect in undeformed and deformed Cu single crystals. Tensile loading, unloading, and reloading simulations are performed to create a series of samples subjected to a broad range of tensile strains with/without pre-existing dislocations. The subsequent nanoindentation simulations are conducted to investigate the coupled effects of prestrain and the presence of resulting dislocations and surface morphology, as well as indenter size effects on the mechanical response in indentation processes. Our work provides detailed insights into the deformation mechanisms and microstructure-property relationships of nanoindentation in the presence of residual stresses and strains.

scholarly journals A Molecular Dynamics Simulations Study of the Influence of Prestrain on the Pop-in Behavior and Indentation Size Effect in Cu Single Crystals

2021 ◽  
Author(s):  
Rong-Guang Xu ◽  
Hengxu Song ◽  
Yongsheng Leng ◽  
Stefanos Papanikolaou
Keyword(s):  
Molecular Dynamics ◽  
Residual Stresses ◽  
Size Effect ◽  
Molecular Dynamics Simulations ◽  
Single Crystals ◽  
Mechanical Response ◽  
Indentation Size Effect ◽  
Deformation Mechanisms ◽  
Indentation Size ◽  
Dynamics Simulations

The pop-in effect in nanoindentation of metals represents a major collective dislocation phenome-non that displays sensitivity in the local surface microstructure and residual stresses. To under-stand the deformation mechanisms behind pop-ins in metals, large scale molecular dynamics simulations are carried out to investigate the pop-in behavior and indentation size effect in unde-formed and deformed Cu single crystals. Tensile loading, unloading and reloading simulations are performed to create a series of samples subjected to a broad range of tensile strains with/without pre-existing dislocations. The subsequent nanoindentation simulations are con-ducted to study the coupled effects of pre-strain, the presence of resulting dislocations and surface morphology, as well as indenter size effects on the mechanical response in indentation processes. Our work provides detailed insights into the deformation mechanisms and microstruc-ture-property relationships of nanoindentation in the presence of residual stresses and strains.

Orientation Dependence in Molecular Dynamics Simulations of Shocked Single Crystals

2000 ◽  
Vol 84 (23) ◽  
pp. 5351-5354 ◽  
Author(s):  
Timothy C. Germann ◽  
Brad Lee Holian ◽  
Peter S. Lomdahl ◽  
Ramon Ravelo
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Single Crystals ◽  
Orientation Dependence ◽  
Dynamics Simulations

Size effect in the melting and freezing behaviors of Al/Ti core-shell nanoparticles using molecular dynamics simulations

2016 ◽  
Vol 25 (3) ◽  
pp. 036102 ◽  
Author(s):  
Jin-Ping Zhang ◽  
Yang-Yang Zhang ◽  
Er-Ping Wang ◽  
Cui-Ming Tang ◽  
Xin-Lu Cheng ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Size Effect ◽  
Molecular Dynamics Simulations ◽  
Core Shell ◽  
Shell Nanoparticles ◽  
Dynamics Simulations ◽  
Core Shell Nanoparticles
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