MATLAB code for molecular dynamics simulation of an Ag tip sliding



In this project, we have performed a systematic study on the effects of load, speed, and temperature using molecular dynamics simulation of an Ag tip sliding on a Cu substrate. The simulations were performed at sliding velocities of 1, 5, and 10 m/s, average normal stresses of 0, 100, 200, 300, 400, and 500 MPa, and temperatures of 10, 100, 200, 300 and 400 K.

The yx and yz components of the shear stress for the tip and substrate were investigated to get a global picture of the stick-slip properties in the contact area. Next, the energy transfer mechanism was discussed briefly. Then, the average, minimum and maximum values of the shear stress as functions of velocity, load, and temperature were illustrated.

It was found that the average, maximum and absolute value of the minimum shear stress increase with the velocity of the tip; the maximum and absolute value of the minimum shear stress decreased with initial normal stress; and except for one outlying case, the average shear stress increased with temperature. This temperature effect was studied further and it was determined that temperature affects shear stress through three competing mechanisms: thermal activation, surface roughness, and tip-substrate distance. Next, atom diffusion was also investigated as a means of understanding atomic-scale wear during stick-slip under different operational conditions.

Finally, dislocation theory was used to explain the stick-slip. The common neighbor method (CNA) was used to show the crystal structure alternating between face center cubic (FCC) hexagonal close packed (hpc). The displacement and shear stress were measured in the contact area to show why and how the stick-slip happened. 


1. Side change of the tip
The size of the tip changed in three directions during simulation because of the thermal expansion.

2. Dislocation analysis
The following code was used to output the percentage of the dislocated atoms for the contact area.

3. Slick-slip illustration by tip layers
The layer was divided into 30 layers in z direction. This code was used to show the movement of the tip for each layer during the sliding.

4. CNA
The CNA was done by this code. The results were exhibited and consistent with those done by IMD.

5. Lengthen the movement of the tip on the substrate
The code was used to change the initial location of the tip atoms to make them move longer on the substrate.

6. Surface roughness
In this part, the code was used to calculate the surface roughness for the substrate free surface and tip free surface.

7. Diffused atoms
The diffused atoms were showed by this code as red atoms.

8. Shear tress distribution
The code was used to show the shear stress distribution in the contact area.

9. CNA from IMD illustration
The code could illustrate the CNA from IMD.



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Large Scale Charging in Distribution System

Simulation Results of Transmitting the APs from the Output Buffers to a Host PC


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