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Re: [lammps-users] multi-scale simulation
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Re: [lammps-users] multi-scale simulation


From: <xudong.wang@...7565...>
Date: Thu, 26 Apr 2018 11:12:47 +0200

Yeah, I see. However, because the sintering process is at low temperature (about 500K), only a very small interconnection part between the two microparticles will be sintered. The rest part, most part of particles, would be seen as stationary.

 

Furthurmore, I have another problem, I ran the AtC exemples of LAMMPS and .case file was producted. But I cannot open it with EnSight. Always ‘error reading datas’ appeared. So any help of this?    

 

Best regards

 

De : Axel Kohlmeyer
Envoyé le :2018
425 18:38
À : xudong.wang@...7565...
Cc : lammps-users@lists.sourceforge.net
Objet :Re: [lammps-users] multi-scale simulation

 

On Tue, Apr 24, 2018 at 3:41 AM,  <xudong.wang@...7565...> wrote:

> 

> 

> Thank you Axel

> 

> My particles are about 3-4 micros and it exists some formulations to solve

> the time scale problem. I have simulated the sintering of nano-particles.

> What I want to do now is to find a bridge between nanoscale and microscale,

> it’s why I think about learning ATC package.

 

...and this is why i think that you have not thought this through. the

"bridge" you are looking for would be a *input* for AtC coupling, not

something that you would be able to determine with it.

 

remember, that for the time scales you are confined to the time scale

of atomic scale simulations, so any process happening on the

macroscale will be stationary.

on the atomic scale, your nano particle will be indistinguishable from

a bulk system within the error margins of classical MD models.

 

axel.

 

> 

> 

> 

> xudong

> 

> 

> 

> De : Axel Kohlmeyer

> Envoyé le :2018420 17:54

> À : xudong.wang@...7565...

> Cc : lammps-users@lists.sourceforge.net

> Objet :Re: [lammps-users] multi-scale simulation

> 

> 

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> On Fri, Apr 20, 2018 at 4:56 AM, <xudong.wang@...33....7565...> wrote:

> 

> Hello everyone

> 

> 

> 

> I’m now studying on the simulation of the sinterering process of

> microparticle silver. Because of the big size of particles, I need to use

> the ATC package. I want to treat the interconnected part between particles

> by using MD and the other part by using FE (as shown in the figure below).

> Do you think that my problem can be solved with this package please ?

> 

> 

> 

> that is impossible to say at this level of generality. how large are the

> particles and what is the time scale of the process you are looking at?

> 

> unless i miss my guess, i would expect, that those length and time scales

> are too far apart to make the kind of model you propose practical. if you

> want to make some experiment, you should look for something much simpler.

> 

> 

> 

> you may also want to do some research of the published literature into

> available mesoscale models. it looks to me, that what you need could be

> something conceptually similar to either lattice-boltzmann or peridynamics,

> or perhaps there might be a suitable formulation for either of them, that

> you could use.

> 

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> 

> axel.

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> Best regareds

> 

> Xudong

> 

> 

> 

> 

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> 

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> 

> --

> 

> Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0

> College of Science & Technology, Temple University, Philadelphia PA, USA

> International Centre for Theoretical Physics, Trieste. Italy.

> 

> 

> 

> 

> 

> 

> 

> --

> 

> Dr. Axel Kohlmeyer  akohlmey@...12...24...  http://goo.gl/1wk0

> College of Science & Technology, Temple University, Philadelphia PA, USA

> International Centre for Theoretical Physics, Trieste. Italy.

> 

> 

> 

> 

> ------------------------------------------------------------------------------

> Check out the vibrant tech community on one of the world's most

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> 

 

 

 

--

Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0

College of Science & Technology, Temple University, Philadelphia PA, USA

International Centre for Theoretical Physics, Trieste. Italy.