scholarly journals Molecular dynamics study of deformation mechanism of γ-TiAl intermetallics

2007 ◽  
Vol 56 (3) ◽  
pp. 1526
Author(s):  
Zhou Zong-Rong ◽  
Wang Yu ◽  
Xia Yuan-Ming
Keyword(s):  
Molecular Dynamics ◽  
Deformation Mechanism ◽  
Tial Intermetallics

scholarly journals Molecular Dynamics Study on Deformation Mechanism of Grain Boundaries in Magnesium Crystal: Based on Coincidence Site Lattice Theory

2018 ◽  
Vol 2018 ◽  
pp. 1-10 ◽  
Author(s):  
Ken-ichi Saitoh ◽  
Kohei Kuramitsu ◽  
Tomohiro Sato ◽  
Masanori Takuma ◽  
Yoshimasa Takahashi
Keyword(s):  
Molecular Dynamics ◽  
Deformation Mechanism ◽  
Coincidence Site Lattice ◽  
Md Simulations ◽  
Uniaxial Tensile ◽  
High Angle ◽  
Site Lattice ◽  
Embedded Atom ◽  
Significant Difference ◽  
Eam Potential

As for magnesium (Mg) alloys, it has been noted that they are inferior to plastic deformation, but improvement in the mechanical properties by further refinement of grain size has been recently suggested. It means the importance of atomistic view of polycrystalline interface of Mg crystal. In this study, to discuss the deformation mechanism of polycrystalline Mg, atomistic grain boundary (GB) models by using coincidence site lattice (CSL) theory are constructed and are simulated for their relaxed and deformatted structures. First, GB structures in which the axis of rotation is in [11¯00] direction are relaxed at 10 Kelvin, and the GB energies are evaluated. Then, the deformation mechanism of each GB model under uniaxial tensile loading is observed by using the molecular dynamics (MD) method. The present MD simulations are based on embedded atom method (EAM) potential for Mg crystal. As a result, we were able to observe atomistically a variety of GB structures and to recognize significant difference in deformation mechanism between low-angle GBs and high-angle GBs. A close scrutiny is made on phenomena of dislocation emission processes peculiar to each atomistic local structure in high-angle GBs.

Molecular dynamics simulation studies on the plastic behaviors of an iron nanowire under torsion

RSC Advances ◽  
2016 ◽  
Vol 6 (34) ◽  
pp. 28792-28800 ◽  
Author(s):  
Chong Qiao ◽  
Yanli Zhou ◽  
Xiaolin Cai ◽  
Weiyang Yu ◽  
Bingjie Du ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Plastic Deformation ◽  
Molecular Dynamics Simulation ◽  
Deformation Mechanism ◽  
Driving Force ◽  
Dynamics Simulation ◽  
Simulation Studies ◽  
Plastic Deformation Mechanism ◽  
Constant Torsion ◽  
External Driving

The plastic deformation mechanism of iron (Fe) nanowires under torsion is studied using the molecular dynamics (MD) method by applying an external driving force at a constant torsion speed.

Deformation Mechanism and Punch Taper Effects on Nanoimprint Process by Molecular Dynamics

2004 ◽  
Vol 43 (11A) ◽  
pp. 7665-7669 ◽  
Author(s):  
Quang-Cherng Hsu ◽  
Chen-Da Wu ◽  
Te-Hua Fang
Keyword(s):  
Molecular Dynamics ◽  
Deformation Mechanism

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.

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