Perform Nanoindentation on Al-Mg Alloy
Perform Nanoindentation on an Aluminum-Magnesium Alloy
Yifan Wang
Created May 2017
This tutorial explains how to create an FCC sample of Al-Mg alloy and perform nanoindentation on the sample in LAMMPS.
Prerequisite
For this simulation, we will use the LAMMPS 5 Nov 2016 version. The newer version may have changes of the commands. When compiling LAMMPS, please switch on the package MANYBODY in order to use the EAM potential. More details about compiling LAMMPS, please see the manual page (http://lammps.sandia.gov/doc/Section_start.html) for more information.
Prepare The Al-Mg Alloy Sample
In this note, we will use the following geometric parameters as an example, to show how to perform nanoindentation MD simulation in LAMMPS:
- Weight percentage: 0.6% (~0.67% atomic percentage)
- Simulation Box: 32.4x32.4x32.4nm (free surface on z-direction, pbc on x- and y-directions)
- Indenter radius: 16.2nm
Thermodynamics
Perform MD Simulation of Nanoindentation on The Alloy Sample
You need first to build the GPU library. Go to your lammps/lib/gpu folder. Copy the generic linux makefile
cd ~/Codes/LAMMPS/lib/gpu cp Makefile.linux Makefile.sherlock
You have to modify 3 lines in this file. Open it and replace the values of CUDA_HOME, CUDA_ARCH and CUDA_PREC with the following
vi Makefile.sherlock
CUDA_HOME = /share/sw/free/cuda/6.5 CUDA_ARCH = -arch=sm_35 CUDA_PREC = -D_DOUBLE_DOUBLE