Molecular Dynamics Simulation Study of Grinding Process of Mg-Al Alloy

2013 ◽  
Vol 820 ◽  
pp. 75-79 ◽  
Author(s):  
Cai Xia Li ◽  
Yu Luo
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Morse Potential ◽  
Cutting Speed ◽  
Dynamics Simulation ◽  
Depth Of Cut ◽  
Al Alloy ◽  
Grinding Process ◽  
Embedded Atom ◽  
Eam Potential

A molecular dynamics simulation considered of chip deformation and force analysis for grinding process of Mg-Al alloy is presented. Hybrid potentials including embedded atom method (EAM) potential and Morse potential are applied in this model. The activities among atoms of Mg-Al Alloy material is described by EAM potential which is very suitable for metal materials. Morse potential is used to realize the interaction between Mg-Al alloy and abrasive grain made of diamond. Simulations of Different depths of cut (0.6nm, 0.8nm and 1.0nm) and different cut speeds (50m/s, 100m/s and 200m/s) are given. The experience result shows that with the same nanometric depth of cut, there is a little difference of ratio of the cut potential to the cutting speed. Moreover, with the same cutting speed, the cut potential is increased linearly with the depth of cut while reaching to stable cutting regime.

Calculation of Material Properties Using Molecular Dynamics Simulation

2007 ◽  
Author(s):  
Y. H. Park ◽  
J. Tang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Melting Point ◽  
Material Properties ◽  
Morse Potential ◽  
Formation Energy ◽  
Dynamics Simulation ◽  
Embedded Atom Method ◽  
Embedded Atom ◽  
Dynamics Method

This paper describes the calculation of material properties of copper (Cu) using the molecular dynamics method. Vacancy formation energy, bulk modulus, surface energy and melting point are calculated using different potentials such as the Morse potential and Embedded Atom Method (EAM). Results obtained from different potentials are discussed and compared with experimental results.

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.

THE EFFECT OF THE RANGE OF THE POTENTIAL ON THE MULTI-STEP CLUSTER MELTING PROCESS

2004 ◽  
Vol 15 (05) ◽  
pp. 649-658 ◽  
Author(s):  
SHI-WEI REN
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Morse Potential ◽  
Melting Process ◽  
Dynamics Simulation ◽  
Repulsive Core ◽  
Tail Region ◽  
Step Process

By using the microcanonical molecular dynamics simulation, the melting processes of the clusters bound by Morse potential are investigated. It is found that these clusters show a multi-step melting process as long as the range of the Morse potential is a suitable value. The origins of this multi-step process are analyzed. I find that not only the repulsive core of the potential but also the attractive tail range of the potential influences the melting process. Moreover, the occurrence of the multi-step melting process is more sensitive to the tail region of the Morse potential.

Molecular Dynamics Simulation of the Solidification of Liquid Nickel Nanowires

2007 ◽  
Vol 121-123 ◽  
pp. 1053-1056
Author(s):  
Guo Rong Zhong ◽  
Qiu Ming Gao
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Face Centered Cubic ◽  
Liquid Nickel ◽  
Cooling Rates ◽  
Final Structure ◽  
Embedded Atom ◽  
Nickel Nanowires ◽  
Face Centered

Molecular dynamics simulation of the solidification behavior of liquid nickel nanowires has been carried out based on the embedded atom potential with different cooling rates. The nanowires constructed with a face-centered cubic structure and a one-dimensional (1D) periodical boundary condition along the wire axis direction. It is found that the final structure of Ni nanowires strongly depend on the cooling rates during solidification from liquid. With decreasing cooling rates the final structure of the nanowires varies from amorphous to crystalline via helical multi-shelled structure.

Molecular Dynamics Simulation of Relaxation and Local Structure Change of a Molten Cu135 Cluster during Rapidly Quenching

2011 ◽  
Vol 694 ◽  
pp. 908-913 ◽  
Author(s):  
S.N Xu ◽  
N. He ◽  
L. Zhang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Local Structure ◽  
Average Energy ◽  
Dynamics Simulation ◽  
Relaxation Processes ◽  
Quenching Temperature ◽  
Embedded Atom ◽  
Structure Changes ◽  
Β Relaxation

Relaxation and local structure changes of a molten Cu135 cluster have been studied by molecular dynamics simulation using embedded atom method when the cluster is rapidly quenched to 700K, 600K, 500K, 400K, 300K, 200K, and 100K. With decreasing quenching temperature, details of energy evolvement and relaxation are analyzed. The simulation results show that the final structures are molten at 700K, like-icosahedral geometry at 600K-200K, non-crystal at 100K. The average energy of atoms is the lowest at 500K, and in the relaxation has abrupt increase at 25,135 and 42ps separately at 400K, 300K, and 200K. The simulation reveals that the quenching temperature has great affect on the relaxation processes of the Cu135 cluster after β relaxation region.

Investigation of Frictional Resistance in Nanometric Cutting by Molecular Dynamic Simulation

2010 ◽  
Author(s):  
Seyed Vahid Hosseini ◽  
Mehrdad Vahdati
Keyword(s):  
Molecular Dynamics ◽  
Cutting Speed ◽  
Frictional Resistance ◽  
Potential Functions ◽  
Depth Of Cut ◽  
Work Piece ◽  
Minimum Thickness ◽  
Nanometric Cutting ◽  
Cutting Velocity ◽  
Eam Potential

Recently, the development of machine tools and sub-micron positioning control systems has brought the minimum thickness of ultra-precision cutting to less than 1 nm. The conventional continuum based method (FEM) becomes impossible to use for numerical analysis. As an alternative method, molecular dynamics (MD) method is significantly implemented in the field of nano-machining to investigate cutting mechanism. In this paper, firstly, molecular dynamics simulations of the nanometric cutting of single-crystal copper were performed applying a pin tool. The model was solved with both Morse and Embedded Atom Method (EAM) potential functions to simulate the interatomic force between the work piece and a rigid tool. The nature of material removal, chip formation, and frictional forces were simulated. In order to investigate the coefficient resistance (the ratio of the cutting force to the thrust force), some MD simulations also carried for various cutting velocity and cutting depths. The results show that the Morse potential and EAM method have some difference to model tool forces and frictional resistance. Also, surface properties and atomic displacement in each of these potential functions have some discrepancy. In addition, cutting and trust forces increase with the cutting velocity and the depth of cut, however the effect of cutting speed is not very significant. Finally the value of frictional resistance is not changed with similar tool for various cutting speeds.

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