Computer Simulation of Bending Plastic Deformation and Creation of Dislocations in Copper Thin Films

1994 ◽  
Vol 367 ◽  
Author(s):  
H. Tsukahara ◽  
Y. Niwa ◽  
T. Takayama ◽  
Masao Doyama
Keyword(s):  
Thin Films ◽  
Molecular Dynamics ◽  
Computer Simulation ◽  
Plastic Deformation ◽  
Single Crystal ◽  
Slip Plane ◽  
Molecular Dynamics Method ◽  
Copper Single Crystal ◽  
Small Single Crystal ◽  
Dynamics Method

AbstractA small single crystal of copper with a notch has been bent by use of the molecular dynamics method. The bend axis was [110]. Dislocations were created near the tip of the notch and moved on (111) slip plane. Pulling a copper single crystal, half dislocations were created in such a way that the bending was compensated.

Effective Atomic Displacements in α-Zirconium under Neutron Irradiation

2014 ◽  
Vol 1042 ◽  
pp. 52-57 ◽  
Author(s):  
Viacheslav Svetukhin ◽  
Mikhail Tikhonchev
Keyword(s):  
Molecular Dynamics ◽  
Computer Simulation ◽  
Neutron Irradiation ◽  
Cross Sections ◽  
Initial Temperature ◽  
Molecular Dynamics Method ◽  
Neutron Spectra ◽  
Atomic Displacements ◽  
Neutron Cross Sections ◽  
Dynamics Method

A computer simulation of atomic displacements cascades in α-zirconium is performed by molecular dynamics method. The dependence of the fraction of surviving defects on the PKA energy (in the range from 0.1 to 20 keV) is revealed for the initial temperature of the material of 0 and 600 K. Group neutron cross sections of the effective displacement under neutron irradiation are prepared. The effective dpa rates for zirconium in neutron spectra of different reactors are evaluated. These values are about four times lower than the corresponding values of conventional dpa rates for neutron energies from 0.5 MeV and higher.

scholarly journals Structure, Plastic Deformation of Polyethylene: A Molecular Dynamics Method

2020 ◽  
Vol 10 (06) ◽  
pp. 125-150
Author(s):  
Dung Nguyen Trong ◽  
Tuan Tran Quoc ◽  
Hue Dang Thi Minh ◽  
Cuong Nguyen Chinh ◽  
Van Duong Quoc
Keyword(s):  
Molecular Dynamics ◽  
Plastic Deformation ◽  
Molecular Dynamics Method ◽  
Dynamics Method

Deformation Mechanism of Diamond Nanocutting Single-Crystal Copper Using Molecular Dynamics Simulatio

2011 ◽  
Vol 239-242 ◽  
pp. 2775-2778
Author(s):  
Jia Xuan Chen ◽  
Ying Chun Liang ◽  
Xia Yu ◽  
Zhi Guo Wang ◽  
Zhen Tong
Keyword(s):  
Molecular Dynamics ◽  
Single Crystal ◽  
Cutting Force ◽  
Dislocation Loop ◽  
Deformation Mechanism ◽  
Molecular Dynamics Method ◽  
Parameter Method ◽  
Removal Mechanism ◽  
Single Crystal Copper ◽  
Dynamics Method

To study the removal mechanism of materials during nano cutting, molecular dynamics method is adopted to simulate single crystal copper nanomachining processes, and subsurface defects evolvements and chip forming regulation are analyzed by revised centro-symmetry parameter method and the ratios of the tangential cutting forceand the normal cutting force. The results show that there are different defects under different cutting depths. When cutting depths is shallower, there are dislocation loop nucleation in the subsurface of the workpiece beneath the tool; however, when the cutting depths is deeper, there are dislocations nucleation and slipping along {101} plane and (111) plane. In addition, both tangential cutting forceand the normal cutting force decrease as the cutting depths decreasing. When the ratios of the normal cutting force and the tangential cutting force is below 0.9, the chip will be formed.

Computer Simulation of Tensile Deformation of Titanium Small Single Crystals with Stacking Faults

1993 ◽  
Vol 319 ◽  
Author(s):  
M. Aoshima ◽  
T. Kusube ◽  
J. Ida ◽  
Masao Doyama
Keyword(s):  
Molecular Dynamics ◽  
Computer Simulation ◽  
Single Crystals ◽  
Yield Stress ◽  
Tensile Deformation ◽  
Tensile Axis ◽  
Stacking Faults ◽  
Stacking Fault ◽  
Molecular Dynamics Method ◽  
Dynamics Method

AbstractSmall single crystals of titanium with and without stacking faults have been pulled by use of the molecular dynamics method. The tensile axis was [0001] and the stacking fault was introduced on (0001) pianes. The yield stress was higher in the crystal with stacking faults. The deformation was complicated in the crystal with stacking fault. Dislocations were created near the tip of a crack and moved on (1122).

Plastic Deformation of Thin Films – Bending

2001 ◽  
Vol 695 ◽  
Author(s):  
T. Nozaki ◽  
Y. Kogure ◽  
Masao Doyama
Keyword(s):  
Thin Films ◽  
Molecular Dynamics ◽  
Plastic Deformation ◽  
Single Crystal ◽  
Atomic Potential ◽  
Shockley Partial ◽  
Partial Dislocations ◽  
Extended Surface ◽  
Edge Dislocations

ABSTRACTWidely accepted model of bending of a single crystal suggests that edge dislocations are introduced from both the compressed surface and extended surface. The present study examined this model by molecular dynamics using an embedded potential. Shockley partial dislocations are created on the compressed surface. Due to the characteristics of inter atomic potential, the stress on the compression surface is higher than that on the extended surface.

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