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Re: [lammps-users] ATC Cu_ttm.mat file problem
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Re: [lammps-users] ATC Cu_ttm.mat file problem


From: Sikang Luan <luans@...132...>
Date: Tue, 12 Sep 2017 15:02:17 +0000

Dear Steve,


The document states ''e.g. heat (energy) flux. The units are in AtC units, i.e. derived from the LAMMPS length, time, and mass scales''. The material properties for copper is included in the example folder, which is used with 'unit metal'. 

Therefore, the energy unit [mass]*[length]^2/[time]^2 would be g/mol*(A/ps)^2. I converted the copper properties given in Jones's paper to the abovementioned unit. I was able to match the correct parameters other than the electron conductivity.


thanks,

Michael.


From: Steve Plimpton <sjplimp@...24...>
Sent: Tuesday, September 12, 2017 10:26:39 AM
To: Sikang Luan
Cc: lammps-users@lists.sourceforge.net
Subject: Re: [lammps-users] ATC Cu_ttm.mat file problem
 
I don't know what "atc" units means.  The LAMMPS units command
shows the options the code supports.  I believe the fix atc command
and USER-ATC package should work with any units, assuming
your inputs are correct.

Steve

On Sat, Sep 9, 2017 at 3:01 PM, Sikang Luan <luans@...132...> wrote:

Dear everyone,


I am using lammps USER-ATC package to work on laser ablation of copper. As I looked at the material properties of copper, I found a problem with electron conductivity. The parameters in Jones paper are 11.2J/K*m*s for lattice conductivity and 244.3J/K*m*s for electron conductivity.

I converted to atc units which is consistent with lammps in mass, time, and length. The result of lattice conductivity is the same as that in the file (67.44.....), while electron conductivity is 1471 instead of 441. Can anyone explain this?

Thanks.


Michael.



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