scholarly journals Molecular dynamics study on diamond nanowires mechanical properties: Strain rate, temperature and size dependent effects

2011 ◽  
Vol 20 (4) ◽  
pp. 551-555 ◽  
Author(s):  
Jing Guo ◽  
Bin Wen ◽  
Roderick Melnik ◽  
Shan Yao ◽  
Tingju Li
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Strain Rate ◽  
Size Dependent

scholarly journals Molecular Dynamics Simulation Study of the Mechanical Properties of Nanocrystalline Body-Centered Cubic Iron

Surfaces ◽  
2020 ◽  
Vol 3 (3) ◽  
pp. 381-391
Author(s):  
Jan Herman ◽  
Marko Govednik ◽  
Sandeep P. Patil ◽  
Bernd Markert
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Strain Rate ◽  
Tensile Tests ◽  
Dynamics Simulation ◽  
Uniaxial Tensile ◽  
Body Centered Cubic ◽  
Bcc Iron ◽  
Average Grain Size ◽  
Study Results

In the present work, the mechanical properties of nanocrystalline body-centered cubic (BCC) iron with an average grain size of 10 Å were investigated using molecular dynamics (MD) simulations. The structure has one layer of crystal grains, which means such a model could represent a structure with directional crystallization. A series of uniaxial tensile tests with different strain rates and temperatures was performed until the full rupture of the model. Moreover, tensile tests of the models with a void at the center and shear tests were carried out. In the tensile test simulations, peak stress and average values of flow stress increase with strain rate. However, the strain rate does not affect the elasticity modulus. Due to the presence of void, stress concentrations in structure have been observed, which leads to dislocation pile-up and grain boundary slips at lower strains. Furthermore, the model with the void reaches lower values of peak stresses as well as stress overshoot compared to the no void model. The study results provide a better understanding of the mechanical response of nanocrystalline BCC iron under various loadings.

Molecular dynamics study on the tensile properties of graphene/Cu nanocomposite

2017 ◽  
Vol 06 (03) ◽  
pp. 1750021 ◽  
Author(s):  
Jun Hua ◽  
Zhirong Duan ◽  
Chen Song ◽  
Qinlong Liu
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Tensile Strength ◽  
Elastic Modulus ◽  
Comparative Analysis ◽  
Strain Rate ◽  
Ultimate Strength ◽  
Strain Rates ◽  
Single Crystal Copper ◽  
Single Slice

In this paper, the mechanical properties, including elastic properties, deformation mechanism, dislocation formation and crack propagation of graphene/Cu (G/Cu) nanocomposite under uniaxial tension are studied by molecular dynamics (MD) method and the strain rate dependence is also investigated. Firstly, through the comparative analysis of tensile results of single crystal copper (Cu), single slice graphene/Cu (SSG/Cu) nanocomposite and double slice graphene/Cu (DSG/Cu) nanocomposite, it is found that the G/Cu nanocomposites have larger initial equivalent elastic modulus and tensile ultimate strength comparing with Cu and the more content of graphene, the greater the tensile strength of composites. Afterwards, by analyzing the tensile results of SSG/Cu nanocomposite under different strain rates, we find that the tensile ultimate strength of SSG/Cu nanocomposite increases with the increasing of strain rate gradually, but the initial equivalent elastic modulus basically remains unchanged.

Molecular Dynamics Study on Uniaxial Compression Transformation of Magnesium Alloy

NANO ◽  
2021 ◽  
pp. 2150118
Author(s):  
Qianhua Yang ◽  
Chun Xue ◽  
Zhibing Chu ◽  
Yugui Li ◽  
Lifeng Ma
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Phase Transformation ◽  
Magnesium Alloy ◽  
Strain Rate ◽  
Uniaxial Compression ◽  
Dynamics Simulation ◽  
Basic Knowledge ◽  
Transformation Mechanism ◽  
Different Temperatures

As a new method of calculating materials, molecular dynamics simulation can effectively reproduce the mechanical behavior of materials at the atomic level. In this paper, through the construction of the AZ31 magnesium alloy model, the uniaxial compression deformation of magnesium alloy at different temperatures and strain rate is simulated by molecular dynamics method, the mechanical properties and microstructure changes of magnesium alloy are analyzed, the phase transformation mechanism of magnesium alloy under uniaxial compression is revealed, and the effects of temperature and strain rate on the phase transformation of magnesium alloy are explored at the nanometer scale. It provides a theoretical basis and necessary basic knowledge for the design and development of Mg-based nanostructured alloys with excellent mechanical properties.

Effects of grain size, temperature and strain rate on the mechanical properties of polycrystalline graphene – A molecular dynamics study

Carbon ◽  
2015 ◽  
Vol 85 ◽  
pp. 135-146 ◽  
Author(s):  
M.Q. Chen ◽  
S.S. Quek ◽  
Z.D. Sha ◽  
C.H. Chiu ◽  
Q.X. Pei ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Grain Size ◽  
Strain Rate

scholarly journals Role of surface oxidation on the size dependent mechanical properties of nickel nanowires: a ReaxFF molecular dynamics study

2018 ◽  
Vol 20 (1) ◽  
pp. 284-298 ◽  
Author(s):  
Gurcan Aral ◽  
Md Mahbubul Islam ◽  
Adri C. T. van Duin
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Low Temperatures ◽  
Surface Oxidation ◽  
Metallic Nickel ◽  
Size Dependent ◽  
Nickel Nanowires

Highly reactive metallic nickel (Ni) is readily oxidized by oxygen (O2) molecules even at low temperatures.

Sign in / Sign up

Export Citation Format

Share Document