Computer Simulation of Creation of Dislocations in Titanium Small Crystals

1993 ◽  
Vol 319 ◽  
Author(s):  
Junji Ida ◽  
Masao Doyama
Keyword(s):  
Molecular Dynamics ◽  
Computer Simulation ◽  
Single Crystal ◽  
Basal Plane ◽  
Embedded Atom ◽  
Small Crystals ◽  
Edge Dislocations

AbstractEdge dislocations were created on a basal plane (0001) in a small titanium single crystal whose surfases are (0001), (0001), (1010), (1010), (1210) and (1210) by use of n-body embedded atom potentials and molecular dynamics.

Computer Simulation of Creation and Motion of Edge Dislocations in Face Centered Crystals

1994 ◽  
Vol 356 ◽  
Author(s):  
N. Tajima ◽  
T. Nozaki ◽  
T. Hirade ◽  
Y. Kogure ◽  
Masao Doyama
Keyword(s):  
Molecular Dynamics ◽  
Computer Simulation ◽  
Edge Dislocation ◽  
Embedded Atom ◽  
Small Crystals ◽  
Face Centered ◽  
Edge Dislocations

AbstractComplete and dissociated edge dislocations were created near the center of the surface (101) of aluminum small crystals whose surfaces are (111), (111), (101), (101). (121) and (121). Molecular dynamics with N-body embedded atom potentials were used. Higher stress is needed to create a complete edge dislocation than to create a dissociated dislocation.

Molecular Dynamics Simulation of Sputtering with Mmany-Body Interactions

1988 ◽  
Vol 100 ◽  
Author(s):  
Davy Y. Lo ◽  
Tom A. Tombrello ◽  
Mark H. Shapiro ◽  
Don E. Harrison
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Single Crystal ◽  
Low Energy ◽  
Dynamics Simulation ◽  
Embedded Atom Method ◽  
Many Body ◽  
Embedded Atom ◽  
Dynamics Simulations ◽  
Small Single Crystal

ABSTRACTMany-body forces obtained by the Embedded-Atom Method (EAM) [41 are incorporated into the description of low energy collisions and surface ejection processes in molecular dynamics simulations of sputtering from metal targets. Bombardments of small, single crystal Cu targets (400–500 atoms) in three different orientations ({100}, {110}, {111}) by 5 keV Ar+ ions have been simulated. The results are compared to simulations using purely pair-wise additive interactions. Significant differences in the spectra of ejected atoms are found.

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.

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.

Computer Simulation of Creation of Dislocations in Copper Small Crystals

1993 ◽  
Vol 319 ◽  
Author(s):  
H. Tanaka ◽  
Masao Doyama
Keyword(s):  
Molecular Dynamics ◽  
Computer Simulation ◽  
Partial Dislocation ◽  
Stacking Fault ◽  
Shockley Partial Dislocation ◽  
Shockley Partial ◽  
Small Crystals ◽  
The Creation

AbstractDislocations were created near the center of the surface (101) of copper small crystals whose surfaces are (111), (111), (101), (101), (121), and (121) by use of n-body atom potentials and molecular dynamics. At first, a Heidenreich-Shockley partial dislocation was created., As the partial dislocation proceeds, the partial dislocation and the surface was connected with a stacking fault until the next Heidenreich-Shockley partial dislocation was created at the surface.Just before the creation of a partial dislocation the stress was the highest.

Computer Simulation of Creation of Dislocations in Copper Small Crystals

1993 ◽  
Vol 319 ◽  
Author(s):  
H. Tanaka ◽  
Masao Doyama
Keyword(s):  
Molecular Dynamics ◽  
Computer Simulation ◽  
Partial Dislocation ◽  
Stacking Fault ◽  
Shockley Partial Dislocation ◽  
Shockley Partial ◽  
Small Crystals ◽  
The Creation

AbstractDislocations were created near the center of the surface (101) of copper small crystals whose surfaces are (111), (111), (101), (101), (121), and (121) by use of n-body atom potentials and molecular dynamics. At first, a Heidenreich-Shockley partial dislocation was created., As the partial dislocation proceeds, the partial dislocation and the surface was connected with a stacking fault until the next Heidenreich-Shockley partial dislocation was created at the surface.Just before the creation of a partial dislocation the stress was the highest.

High Quality AlN Single Crystal Substrates for AlGaN-Based Devices

2018 ◽  
Vol 924 ◽  
pp. 923-926 ◽  
Author(s):  
Rafael Dalmau ◽  
H. Spalding Craft ◽  
Jeffrey Britt ◽  
Elizabeth Paisley ◽  
Baxter Moody ◽  
...  
Keyword(s):  
Aluminum Nitride ◽  
Single Crystal ◽  
Basal Plane ◽  
Vapor Transport ◽  
Physical Vapor Transport ◽  
High Magnification ◽  
High Quality ◽  
X Ray ◽  
Surface Finishes ◽  
Edge Dislocations

Aluminum nitride (AlN) single crystal boules were grown by physical vapor transport (PVT). Diameter expansion during boule growth, without the introduction of low angle grain boundaries (LAGB) around the boule periphery, was confirmed by crossed polarizer imaging, synchrotron white beam x-ray topography (SWBXT), and synchrotron monochromatic beam x-ray topography (SMBXT). The densities of basal plane dislocations (BPD) and threading edge dislocations (TED) averaged from high-magnification topographs of five regions of a high-quality substrate were 0 cm-2 and 992 cm-2, respectively. Substrates fabricated from AlN boules possessed excellent surface finishes suitable for epitaxy.

Computer Simulation of the Migration Of Self-Interstitial Atoms in Alpha-Zirconium

1996 ◽  
Vol 439 ◽  
Author(s):  
B. J. Whiting ◽  
D. J. Bacon
Keyword(s):  
Molecular Dynamics ◽  
Computer Simulation ◽  
Low Temperature ◽  
Basal Plane ◽  
Interatomic Potential ◽  
Many Body ◽  
Dynamics Model ◽  
Strong Anisotropy ◽  
Displacement Cascades ◽  
Different Temperatures

AbstractThe migration of single interstitials and small interstitial clusters in ox-zirconium at different temperatures has been analysed using a molecular dynamics model with a many-body interatomic potential. The migration exhibits a strong anisotropy. The defects are very mobile (with Em = 0. 01 eV) along <1120> directions in the basal plane, and this motion is dominant for the single interstitial at low temperature and the di- and tri-interstitials at all temperatures. Above about 500 K, the single interstitial exhibits 2-D and 3-D motion, but Em for non-basal motion is about 0.133 eV. These results point to important consequences for the behaviour of defects formed by displacement cascades in irradiated zirconium.

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