Structural and Mechanical Properties of a Simulated Nickel Nanophase

1995 ◽  
Vol 400 ◽  
Author(s):  
G. D’Agostino ◽  
H. Van Swygenhoven
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Local Minimum ◽  
Minimum Energy ◽  
Perfect Crystal ◽  
Atomic Level ◽  
Dynamic Evolution ◽  
Plastic Behaviour ◽  
Simulated Sample ◽  
Parallel Code

AbstractThe present paper is aimed at studying the physics of a nickel nanophase at the atomic level. A dense polycrystal has been designed by ideally growing many nano-crystals from randomly distributed seeds and truncating them through a Voronoi construction. The sample has been brought to thermodynamic equilibrium and quenched to its local minimum energy thus leading to a mechanically stable system. The dynamic evolution has been simulated by means of classical molecular dynamics employing a Finnis-Sinclair interactive potential. Owing to the large number of atoms required, a parallel code has been developed. Elastic and plastic behaviour of the simulated sample has been compared with that of a perfect crystal. Evidence of an enhanced plastic behaviour has been observed when severe tensile stresses are applied.

scholarly journals Modeling the Mechanical Properties of Functionalized Carbon Nanotubes and Their Composites: Design at the Atomic Level

2014 ◽  
Vol 2014 ◽  
pp. 1-8 ◽  
Author(s):  
Qing-Sheng Yang ◽  
Bing-Qi Li ◽  
Xiao-Qiao He ◽  
Yiu-Wing Mai
Keyword(s):  
Mechanical Properties ◽  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Tensile Strength ◽  
Young’S Modulus ◽  
Young's Modulus ◽  
Atomic Level ◽  
Functionalized Carbon Nanotubes ◽  
Buckling Stress ◽  
Compressive Buckling

This investigation focuses on the design of functionalization configuration at the atomic level to determine the influence of atomic structure on the mechanical properties of functionalized carbon nanotubes (F-CNTs) and their composites. Tension and compressive buckling behaviors of different configurations of CNTs functionalized by H atoms are studied by a molecular dynamics (MD) method. It is shown that H-atom functionalization reduces Young’s modulus of CNTs, but Young’s modulus is not sensitive to the functionalization configuration. The configuration does, however, affect the tensile strength and critical buckling stress of CNTs. Further, the stress-strain relations of composites reinforced by nonfunctionalized and various functionalized CNTs are analyzed.

scholarly journals A reactive molecular dynamics study on the mechanical properties of a recently synthesized amorphous carbon monolayer converted into a nanotube/nanoscroll

2021 ◽  
Author(s):  
Marcelo Lopes Pereira Junior ◽  
Wiliam Ferreira da Cunha ◽  
Douglas Soares Galvão ◽  
Luiz Antonio Ribeiro Junior
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Chemical Vapor Deposition ◽  
Amorphous Carbon ◽  
Vapor Deposition ◽  
Chemical Vapor ◽  
Free Standing ◽  
Reactive Molecular Dynamics

Recently, laser-assisted chemical vapor deposition has been used to synthesize a free-standing, continuous, and stable monolayer amorphous carbon (MAC).

scholarly journals Influence of Tool Geometry and Process Parameters on the Properties of Friction Stir Spot Welded Multiple (AA 5754 H111) Aluminium Sheets

Materials ◽  
2021 ◽  
Vol 14 (5) ◽  
pp. 1157
Author(s):  
Danka Labus Zlatanovic ◽  
Sebastian Balos ◽  
Jean Pierre Bergmann ◽  
Stefan Rasche ◽  
Milan Pecanac ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Process Parameters ◽  
Spot Welding ◽  
Minimum Energy ◽  
Tool Geometry ◽  
Friction Stir ◽  
Minimum Energy Consumption ◽  
Punch Test ◽  
Wide Range ◽  
Lap Welding

Friction stir spot welding is an emerging spot-welding technology that offers opportunities for joining a wide range of materials with minimum energy consumption. To increase productivity, the present work addresses production challenges and aims to find solutions for the lap-welding of multiple ultrathin sheets with maximum productivity. Two convex tools with different edge radii were used to weld four ultrathin sheets of AA5754-H111 alloy each with 0.3 mm thickness. To understand the influence of tool geometries and process parameters, coefficient of friction (CoF), microstructure and mechanical properties obtained with the Vickers microhardness test and the small punch test were analysed. A scanning acoustic microscope was used to assess weld quality. It was found that the increase of tool radius from 15 to 22.5 mm reduced the dwell time by a factor of three. Samples welded with a specific tool were seen to have no delamination and improved mechanical properties due to longer stirring time. The rotational speed was found to be the most influential parameter in governing the weld shape, CoF, microstructure, microhardness and weld efficiency. Low rotational speeds caused a 14.4% and 12.8% improvement in joint efficiency compared to high rotational speeds for both tools used in this investigation.

Molecular Dynamics Simulation of Crack Initiation of Aluminum under Tensile Deformation

2011 ◽  
Vol 378-379 ◽  
pp. 7-10
Author(s):  
Gui Xue Bian ◽  
Yue Liang Chen ◽  
Jian Jun Hu ◽  
Li Xu
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Elastic Constants ◽  
Tensile Deformation ◽  
Crack Nucleation ◽  
Tensile Load ◽  
Dynamics Simulation ◽  
Metal Aluminum ◽  
Impurity Metal

Molecular dynamics simulation was used to simulate the tension process of purity and containing impurity metal aluminum. Elastic constants of purity and containing impurity metal aluminum were calculated, and the effects of impurity on the elastic constants were also studied. The results show that O-Al bond and Al-Al bond near oxygen atoms could be the sites of crack nucleation or growth under tensile load, the method can be extended to research mechanical properties of other metals and alloys structures.

Sign in / Sign up

Export Citation Format

Share Document