ATOMISTIC MODELING OF THE EFFECT OF TWINS ON PLASTIC DEFORMATION IN NANOCRYSTALLINE COBALT

2005 ◽  
Vol 04 (04) ◽  
pp. 651-658
Author(s):  
G. P. ZHENG
Keyword(s):  
Molecular Dynamics ◽  
Plastic Deformation ◽  
Molecular Dynamics Simulation ◽  
Tensile Deformation ◽  
Dynamics Simulation ◽  
Atomistic Modeling ◽  
Allotropic Transformation ◽  
Hexagonal Close Packed ◽  
Deformation Processes

It has been observed by experiments and computer simulations that deformation twinning and grown-in twins play important roles during the plastic deformation in nanocrystalline (nc) metals. In this study, molecular dynamics simulation is employed to investigate the role of grown-in twins in the tensile deformation of hexagonal close-packed nc cobalt. Plastic deformation processes in three types of nc samples, namely nc-cobalt without twins, with (0002) twin faults and with (1121) twins, are compared. The results show that the pre-existing twins significantly lower the mechanical strength and do not enhance the ductility of nc cobalt. Instead deformation induced hcp-to-fcc allotropic transformation is found to result in remarkable strain hardening in the modeled nc cobalt.

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.

The role of optical phonons in intermediate layer-mediated thermal transport across solid interfaces

2017 ◽  
Vol 19 (28) ◽  
pp. 18407-18415 ◽  
Author(s):  
Eungkyu Lee ◽  
Tengfei Luo
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Optical Phonon ◽  
Thermal Transport ◽  
Intermediate Layer ◽  
Dynamics Simulation ◽  
Optical Phonons ◽  
Spectral Matching

A study with molecular dynamics simulation shows that optical phonon vibrational spectral matching by an intermediate layer can significantly impact thermal transport across diatomic solid interfaces.

Sign in / Sign up

Export Citation Format

Share Document