回复:lammps-users Digest, Vol 71, Issue 52

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主题:lammps-users Digest, Vol 71, Issue 52
日期:2012年04月26日 08点04分

Apr 26th

Hello,

Thank you for replying me.As you said ,I can get a region which radius grows with time,not an increasing heat source.

There are two cases in my simulation.One is the radius of the heat source

grows and the heat source distributes equally ,this case can be simulated by the command you said ,the other is the radius of the heat source grows but

the heat source distributes in gaussian distribution . Which command should I use?

Nafens

What is adding "heat" to your model is the thermostat,
which does it by rescaling the velocity of atoms.

There is a better way to do what you are asking
that what I said earlier with compute temp/region
and a dynamically changing region. Use fix langevin
and define the Tstart parameter for temperature
to be an atom-style variable. As the doc page
explains, you can define a time-varying and
spatially-varying temperature field in that manner,
which would allow the growing radius and Gaussian-
distribution you mention. You just need to define
a clever formula to do that.

Steve