Dear Lammps user,
I am new to Lammps simulation. Currently, I am trying to create and simulate Zr60Cu30Al10 this metallic glass.
How Can I build the structure?
How can I found the mechanical properties of this glass?
Dear Lammps user,
I am new to Lammps simulation. Currently, I am trying to create and simulate Zr60Cu30Al10 this metallic glass.
How Can I build the structure?
you should look up suitable procedures to produce a metallic glass in the published literature describing simulation studies of such systems. the protocol for such procedures is not specific to any MD simulation program and thus considered off-topic for this mailinglist.
there are some ways to construct (simple) geometries in LAMMPS itself (using create_atoms) and you may use external tools and import a suitably created data file. https://lammps.sandia.gov/prepost.html
How can I found the mechanical properties of this glass?
again, this is not really a LAMMPS issue but a question about how to conduct your research. that is something you need to discuss/plan with your adviser/supervisor and for that you should survey the published literature what others have done to obtain the properties you desire from MD simulations.
axel.
Dear Lammps user,
I am new to Lammps simulation. Currently, I am trying to create and simulate Zr60Cu30Al10 this metallic glass.
How Can I build the structure?
Start from a pure phase crystalline lattice, replace some of the atoms to make the desired alloy component, then use the melt-and-quench method.
How can I found the mechanical properties of this glass?
From the equilibrated structure, use the ELASTIC script.
Note this mailing list cannot serve as your advisor. You need to ask more specific LAMMPS questions.
Ray