LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
Re: [lammps-users] thermal impulse command
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [lammps-users] thermal impulse command


From: YOHANNA Jacob Baro <jakesbaro@...16...>
Date: Wed, 22 Nov 2017 22:25:23 +0000 (UTC)

Thank you for your response.
I am using unit  metal
I intent to pump a heat impulse of 0.00468 W on a layer of atoms for just 0.05 ps and observe their excitations. my time step is 0.0005 ps.
now converting to eV/ps I got 2921.0249779 eV/psec. below is a portion of my script

#excitations
fix             3 Phos heat 100 2921.024
variable     Temperature equal temp
variable     tEnrgy equal etotal
#fix          4 all ave/time 100 10 1000 v_Temperature v_tEnrgy file file1.dat

thermo         100
thermo_style custom step temp time etotal v_Temperature
unfix        3

and I seems not to get it right. please I will appreciate your comments.

thanks in anticipation


On Monday, November 20, 2017, 4:19:03 PM GMT+1, Steve Plimpton <sjplimp@...24...> wrote:


Of fix heat if you want to be a bit more gradual :)

Steve


On Sat, Nov 18, 2017 at 7:37 AM, Axel Kohlmeyer <akohlmey@...24...> wrote:


On Fri, Nov 17, 2017 at 9:06 PM, YOHANNA Jacob Baro via lammps-users <lammps-users@...396... sourceforge.net> wrote:
Hello lammps users
Can some one please suggest me an appropriate command to impose an ultrafast thermal impulse on a layered material which will cause a rise in temperature.


it's even ​faster than ultrafast.​ it's instantaneous.

axel.

 
thanks in anticipation.


Jakes

------------------------------ ------------------------------ ------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
______________________________ _________________
lammps-users mailing list
lammps-users@...655... .net
https://lists.sourceforge.net/ lists/listinfo/lammps-users




--
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.

------------------------------ ------------------------------ ------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
______________________________ _________________
lammps-users mailing list
lammps-users@...396... sourceforge.net
https://lists.sourceforge.net/ lists/listinfo/lammps-users