Calculation of ttm parametters

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1

Dear lammps users,

I want to calculate the two temperature model(TTM) parameters in the lammps.And how can I apply the laser energy

So, I would like to know how they calculated following ttm parameters.

 1.C_e  = electronic specific heat
 2.rho_e = electronic density
 3.kappa_e = electronic thermal conductivity
 4.gamma_p = friction coefficient due to electron-ion interactions (mass/time units)
 5.gamma_s = friction coefficient due to electronic stopping 
 6.v_0 = electronic stopping critical velocit

And also I would like know which potential was use for iron(Fe)

Reference paper:D M Duffy 1 , 2 and A M Rutherford 1.J. Phys.: Condens. Matter 19 (2007) 016207 (11pp).doi:10.1088/0953-8984/19/1/016207.

Thank you

2

Paul may be able to give more details.

Steve

3

I don’t have more details to add. Please carefully review the documentation and listed references:

http://lammps.sandia.gov/doc/fix_ttm.html

(Duffy) D M Duffy and A M Rutherford, J. Phys.: Condens. Matter, 19, 016207-016218 (2007).

(Rutherford) A M Rutherford and D M Duffy, J. Phys.: Condens. Matter, 19, 496201-496210 (2007).

(Chen) J Chen, D Tzou and J Beraun, Int. J. Heat Mass Transfer, 49, 307-316 (2006).

(Norman) G E Norman, S V Starikov, V V Stegailov et al., Contrib. Plasma Phys., 53, 129-139 (2013).

(Pisarev) V V Pisarev and S V Starikov, J. Phys.: Condens. Matter, 26, 475401 (2014).

Paul