a question of a beginner

dear lammps users:

I’m a student who started to learn lammps recently, I want to simulate the fracture of compressor blade of aircraft engine by lammps in parallel. The target is to research the trajectory and energy of blade debris after the blade broken.

If the size of blade is about 2mm1mm0.5mm,and the material is titanium, My question is that could I simulate the blade successfully in an ordinary computer, or how much is the range of size which can be simulated successfully?

Thank you very much!

Sincerely yours,

a beginner

Length scales of mm are much too large for atomistic molecular dynamics. But peridynamics could be a better method for your problem, especially if you are interested in fracture on continuum level.

Tim

Your 1 mm^3 of titanium contains about 10^20 atoms. It is several orders more than total number of bytes on your HDD or in RAM of your computer, as well as any existing supercomputer, too.

Realistic system sizes for a desktop depend on the interatomic potential and are generally not larger than 10^6 atoms for simulation times about 10^(-9) s. The problem you described is very complex, and is usually approached by some kind of multiscale simulation, like continuum mechanics coupled with MD calculations of transport/kinetic coefficients.

Oleg Sergeev,
junior researcher, VNIIA.

24.04.2013, 17:10, "松行天下" <[email protected]>: