Dear Lammps Users and SPH folks,

I am very new to LAMMPS and Smooth Particle Hydrodynamics(SPH). I have some general questions about them, Would you please answer them?

I want to model evaporation of liquid Ar around a micro cylindrical wire using hybrid MD and SPH. The liquid Ar and atoms of wire on the surface should be modeled using MD and the core of wire will be modeled using SPH. Therefore, I have two different types of interactions

a) Interaction between atoms of liquid Ar and atoms of wire on surface (MD-MD).

b) Interaction between atoms of wire on the surface and SPH particles in the core of wire (MD-SPH).

My questions are:

1- Is it possible to simulate a hybrid MD-SPH in LAMMPS?

2- Can I use two different atom_style (one for SPH and one for MD regions) in LAMMPS?

3- Is it possible to use two different integration schemes in a one input script? I mean Velocity-Verlet scheme for MD region and Meso schem for SPH region.

I have also have some general questions about SPH capability of LAMMPS:

1- Is it possible to solve a conjugate heat transfer as well as two phase flow(liquid-vapor) problem using SPH capability of LAMMPS? For example, solving above mentioned problem using pure SPH.

2- Can SPH method be extended to solve any constitutive equation? For example complex non-Fourier heat equation models.

Thanks a lot for your answers in advance,

Sincerely yours,

Comments below.

Steve

Dear Lammps Users and SPH folks,

I am very new to LAMMPS and Smooth Particle Hydrodynamics(SPH). I have some

general questions about them, Would you please answer them?

I want to model evaporation of liquid Ar around a micro cylindrical wire

using hybrid MD and SPH. The liquid Ar and atoms of wire on the surface

should be modeled using MD and the core of wire will be modeled using SPH.

Therefore, I have two different types of interactions

a) Interaction between atoms of liquid Ar and atoms of wire on surface

(MD-MD).

b) Interaction between atoms of wire on the surface and SPH particles in the

core of wire (MD-SPH).

My questions are:

1- Is it possible to simulate a hybrid MD-SPH in LAMMPS?

Not sure, don't know if anyone has done this.

2- Can I use two different atom_style (one for SPH and one for MD regions)

in LAMMPS?

You can do this via the atom_style hybrid command.

3- Is it possible to use two different integration schemes in a one input

script? I mean Velocity-Verlet scheme for MD region and Meso schem for SPH

region.

Integration is done by fixes in LAMMPS. You can use a fix nve with one

group of atoms, and the SPH meso fixes with another group.

I have also have some general questions about SPH capability of LAMMPS:

1- Is it possible to solve a conjugate heat transfer as well as two phase

flow(liquid-vapor) problem using SPH capability of LAMMPS? For example,

solving above mentioned problem using pure SPH.

2- Can SPH method be extended to solve any constitutive equation? For

example complex non-Fourier heat equation models.

For these 2 questions you should look at the doc pages for the commands

in the SPH package, and converse with the author of the package if you

want to dive deeper. See the USER-SPH/README for his contact info.