Molecular Dynamics Simulation of Crystallization Process in an Amorphous Metal During Plastic Deformation

2000 ◽  
Vol 2000.2 (0) ◽  
pp. 31-32
Author(s):  
Ryuichi TARUMI ◽  
Akio OGURA ◽  
Masayuki SHIMOJO ◽  
Kazuki TAKASHIMA ◽  
Yakichi HIGO
Keyword(s):  
Molecular Dynamics ◽  
Plastic Deformation ◽  
Molecular Dynamics Simulation ◽  
Crystallization Process ◽  
Amorphous Metal ◽  
Dynamics Simulation

Molecular Dynamics Simulation of Nano-Sized Crystallization During Plastic Deformation in an Amorphous Metal

2000 ◽  
Vol 634 ◽  
Author(s):  
R. Tarumi ◽  
A. Ogura ◽  
M. Shimojo ◽  
K. Takashima ◽  
Y. Higo
Keyword(s):  
Molecular Dynamics ◽  
Plastic Deformation ◽  
Shear Stress ◽  
Phase Transformation ◽  
Molecular Dynamics Simulation ◽  
Shear Strain ◽  
Orientation Relationship ◽  
Crystalline Structure ◽  
Amorphous Metal ◽  
Dynamics Simulation

ABSTRACTAn NTP ensemble molecular dynamics simulation was carried out to investigate the mechanism of nano-sized crystallization during plastic deformation in an amorphous metal. The atomic system used in this study was Ni single component. The total number of Ni atoms was 1372. The Morse type inter-atomic potential was employed. An amorphous model was prepared by a quenching process from the liquid state. Pure shear stresses were applied to the amorphous model at a temperature of 50 K. At applied stresses of less than 2.4GPa, a linear relation between shear stress and shear strain was observed. However, at an applied shear stress of 2.8 GPa, the amorphous model started to deform significantly until shear strain reached to 0.78. During this deformation process, phase transformation from amorphous into crystalline structure (fcc) was observed. Furthermore, an orientation relationship between shear directions and crystalline phase was obtained, that is, two shear directions are parallel to a (111) of the fcc structure. This crystallographic orientation relationship agreed well with our experimental result of Ni-P amorphous alloy. Mechanisms of phase transformation from amorphous into crystalline structure were discussed.

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.

Molecular Dynamics Simulation of Crystallization in an Amorphous Metal during Shear Deformation

2000 ◽  
Vol 39 (Part 2, No. 6B) ◽  
pp. L611-L613 ◽  
Author(s):  
Ryuichi Tarumi ◽  
Akio Ogura ◽  
Masayuki Shimojo ◽  
Kazuki Takashima ◽  
Yakichi Higo
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Shear Deformation ◽  
Amorphous Metal ◽  
Dynamics Simulation

Molecular dynamics simulation of plastic deformation in polyethylene under uniaxial and biaxial tension

2021 ◽  
pp. 146442072110458
Author(s):  
Yi Zhang ◽  
Liang Qiao ◽  
Junming Fan ◽  
Shifeng Xue ◽  
PY Ben Jar
Keyword(s):  
Molecular Dynamics ◽  
Plastic Deformation ◽  
Molecular Dynamics Simulation ◽  
Strain Rate ◽  
Strain Softening ◽  
Biaxial Tension ◽  
Mass Density ◽  
The Other ◽  
Dynamics Simulation ◽  
Low Strain Rate

Plastic deformation of polyethylene in uniaxial and biaxial loading conditions is studied using molecular dynamics simulation. Effects of tensile strain rates from 1 × 105 to 1 × 109 s−1, and mass density in the range of 0.923–0.926 g/cm3 on mechanical behaviour and microstructure evolution are examined. Two biaxial tensile deformation modes are considered. One is through simultaneous stretching in both the x and y directions and the other sequential stretching, firstly in the x-direction and then in the y-direction while strain in the x-direction remains constant. Tangent modulus and yield stress that are determined using the stress–strain curves from the molecular dynamics simulation show a strong dependence on the deformation mode, strain rate and mass density, and all are in good agreement with results from the experimental testing, including fracture behaviour which is ductile at a low strain rate but brittle at a high strain rate. Furthermore, the study suggests that the stress–strain curves under uniaxial tension and simultaneous biaxial tension at a relatively low strain rate contain four distinguishable regions, for elastic, yield, strain softening and strain hardening, respectively, whereas under sequential biaxial tension, stress increases monotonically with the increase of strain, without noticeable yielding, strain softening or strain hardening behaviour. The molecular dynamics simulation also suggests that an increase in the strain rate enhances the possibility of cavitation. Under simultaneous biaxial tension, with the strain rate increasing from 1 × 106 to 1 × 109 s−1, the molecular dynamics simulation shows that polyethylene failure changes from a local to a global phenomenon, accompanied by a decrease of the void size and increase of uniformity in the void distribution. Under sequential biaxial tension, on the other hand, the density of the cavities is clearly reduced.

Molecular Dynamics Simulation of Plastic Deformation of Pure Titanium Under Shock Loading

2016 ◽  
Vol 43 (8) ◽  
pp. 0802014
Author(s):  
陈亚洲 Chen Yazhou ◽  
周留成 Zhou Liucheng ◽  
何卫锋 He Weifeng ◽  
罗思海 Luo Sihai ◽  
焦阳 Jiao Yang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Plastic Deformation ◽  
Molecular Dynamics Simulation ◽  
Shock Loading ◽  
Pure Titanium ◽  
Dynamics Simulation

Molecular Dynamics Simulation of Plastic Deformation of Polycrystalline Cu under Mechanical Effect with Ultrahigh Strain Rate

2015 ◽  
Vol 42 (7) ◽  
pp. 0703005
Author(s):  
王志龙 Wang Zhilong ◽  
罗开玉 Luo Kaiyu ◽  
刘月 Liu Yue ◽  
鲁金忠 Lu Jinzhong
Keyword(s):  
Molecular Dynamics ◽  
Plastic Deformation ◽  
Molecular Dynamics Simulation ◽  
Strain Rate ◽  
Mechanical Effect ◽  
Dynamics Simulation ◽  
Ultrahigh Strain
Sign in / Sign up

Export Citation Format

Share Document