I am PhD research student at a university in Scotland. I am in my first year with background in Materials and Metallurgy. I want to go into simulation particularly MD. My proposal research is on precision machining of SiC/Si (diamond turning to be specific). The first stage is building models of workpiece and tool. I have tried to create workpiece model using Atomsk but I still have sum difficult to replace the substituted atoms with the properties of the original atom after creating Types for LAMMPS. I have not yet known how to create the tool. SUMMARY: I am new in MD simulation, I need someone that can guide me through this first stage, and if possible further assistance will be appreciated. I have read the methodology and procedure of MD theoretically, but need how to use tools to create the atomistic models before writing LAMMPS script. Meanwhile, I can not afford material studio being commercially available.
The atomistic model is a computational model of the collective behaviour of atoms in complex systems, that mimic the behaviour of a large system according to the smallest constituent
@Hadi. It is true but I need Material Studio to model the tool and combine it with workpiece. Is any means of getting Material studio or similar software that can be used. That is model I am talking about.
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