Problem facing in creating spherical nanoparticle

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1

Dear LAMMPS users,
I have created a spherical gold nanoparticle of radius 3 nm using Openmd software (code attached). In the code I do not find the reason why I have to give the force field to create a nanoparticle. Can’t I simply give the lattice constant to create a nanoparticle, as I will be giving the pair potential value of gold-gold atoms in my lammps script. So, what is the use while creating the nanoparticle. May be due to this I am getting some weird values while I put that nanoparticle in the base fluid to find thermal properties. Can you please suggest me some other software to create spherical nanoaprticle and what details should I need to create it like lattice constant etc.

I will be grateful for any kind of help.

#code

molecule{ name = "Au";

atom[0]{
type = “Au”;
position(0.0, 0.0, 0.0);
}
}

component{
type = “Au”;
nMol = 1;
}

forceField = “SC”;
forceFieldFileName = “SuttonChen.QSC.frc”;

Lattice constant value of gold

nanoparticleBuilder --latticeConstant=4.08 --radius=15 gold.omd -o NP15.o

2

Dear LAMMPS users,
I have created a spherical gold nanoparticle of radius 3 nm using Openmd
software (code attached). In the code I do not find the reason why I have to
give the force field to create a nanoparticle. Can't I simply give the
lattice constant to create a nanoparticle, as I will be giving the pair
potential value of gold-gold atoms in my lammps script. So, what is the use
while creating the nanoparticle. May be due to this I am getting some weird
values while I put that nanoparticle in the base fluid to find thermal
properties.

these are all questions about OpenMD and you should direct them to the
OpenMP developers, *not* the LAMMPS developers.

Can you please suggest me some other software to create
spherical nanoaprticle and what details should I need to create it like
lattice constant etc.

you can use LAMMPS directly for this.

axel.