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.

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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

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