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Re: [lammps-users] How to oscillate a wall while thermostatting
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Re: [lammps-users] How to oscillate a wall while thermostatting


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Wed, 1 Nov 2017 07:27:55 -0400

On Wed, Nov 1, 2017 at 7:24 AM, saeed alborzi <alborzi.saeed6@...24...> wrote:
> moving helps the droplet to jump from the surface and also changes the
> wetting state of the droplet

with a 500GHz motion?? how is that possible?

axel.

>
> On Wed, Nov 1, 2017 at 2:49 PM, Axel Kohlmeyer <akohlmey@...24...> wrote:
>>
>> On Wed, Nov 1, 2017 at 7:15 AM, saeed alborzi <alborzi.saeed6@...24...>
>> wrote:
>> > I am trying to model heat transfer between a surface and a droplet on it
>>
>> that doesn't explain the need the move the surface.
>>
>>
>> >
>> > On Wed, Nov 1, 2017 at 2:39 PM, Axel Kohlmeyer <akohlmey@...24...>
>> > wrote:
>> >>
>> >> You have not answered my question about what you are trying to model.
>> >> Axel
>> >>
>> >>
>> >>
>> >> --
>> >> 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.
>> >>
>> >> On Nov 1, 2017 7:03 AM, "saeed alborzi" <alborzi.saeed6@...24...>
>> >> wrote:
>> >>>
>> >>> you have mentioned a key point and I will consider that.
>> >>>
>> >>> anyway is there a solution to implement both of oscillation and
>> >>> thermostatting together?
>> >>>
>> >>> On Wed, Nov 1, 2017 at 2:32 PM, saeed alborzi
>> >>> <alborzi.saeed6@...24...>
>> >>> wrote:
>> >>>>
>> >>>> sorry, it was a mistake
>> >>>>
>> >>>> On Wed, Nov 1, 2017 at 2:31 PM, Axel Kohlmeyer <akohlmey@...24...>
>> >>>> wrote:
>> >>>>>
>> >>>>> Please always reply to the mailing list and not only to individual
>> >>>>> people. Thanks, Axel.
>> >>>>>
>> >>>>>
>> >>>>>
>> >>>>> --
>> >>>>> 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.
>> >>>>>
>> >>>>> On Nov 1, 2017 7:00 AM, "saeed alborzi" <alborzi.saeed6@...24...>
>> >>>>> wrote:
>> >>>>>>
>> >>>>>> you have mentioned a key point and I will consider that.
>> >>>>>>
>> >>>>>> anyway is there a solution to implement both of oscillation and
>> >>>>>> thermostatting together?
>> >>>>>>
>> >>>>>> On Wed, Nov 1, 2017 at 1:22 PM, Axel Kohlmeyer <akohlmey@...24...>
>> >>>>>> wrote:
>> >>>>>>>
>> >>>>>>> On Wed, Nov 1, 2017 at 5:22 AM, saeed alborzi
>> >>>>>>> <alborzi.saeed6@...24...> wrote:
>> >>>>>>> > Thanks for your response.
>> >>>>>>> > I did not get your purpose of asking this question.
>> >>>>>>> > Though, this is variable. You suppose a period of 2 ps and an
>> >>>>>>> > amplitude of 2 angstroms
>> >>>>>>>
>> >>>>>>> the purpose of that question is to identify the time scales of the
>> >>>>>>> thermalization and the wall motion. if they differ sufficiently,
>> >>>>>>> there
>> >>>>>>> is no need to control both.
>> >>>>>>> with a 2ps period with a 2 angstrom oscillation, for example, it
>> >>>>>>> seems
>> >>>>>>> to me, that the energy asserted by the wall motion itself will
>> >>>>>>> dominate, so requiring that the wall is thermostatted as well,
>> >>>>>>> would
>> >>>>>>> not really make that much of a difference. you can simply quantify
>> >>>>>>> this by setting up a simulation of a immobile, but thermostatted
>> >>>>>>> wall
>> >>>>>>> with an equilibrated medium next to it, but then running the wall
>> >>>>>>> adjacent medium with fix nve and observe the energy transferred
>> >>>>>>> and
>> >>>>>>> compare that result to the same setup with a wall that is
>> >>>>>>> controlled
>> >>>>>>> by fix move.
>> >>>>>>>
>> >>>>>>> i am also wondering what kind of process this is modeling. after
>> >>>>>>> all,
>> >>>>>>> a 500GHz vibration corresponds to lower infrared and the average
>> >>>>>>> velocity of the wall approaches the speed of sound in dense media.
>> >>>>>>>
>> >>>>>>> axel.
>> >>>>>>>
>> >>>>>>>
>> >>>>>>> >
>> >>>>>>> >> what frequency and amplitude of oscillation of the wall are we
>> >>>>>>> >> talking about here? axel. &gt;
>> >>>>>>> >>
>> >>>>>>> >> ------------------------------------------------------------------------------
>> >>>>>>> >> &gt; Check out the vibrant tech community on one of the world's
>> >>>>>>> >> most &gt;
>> >>>>>>> >> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
>> >>>>>>> >> &gt;
>> >>>>>>> >> _______________________________________________ &gt;
>> >>>>>>> >> lammps-users mailing
>> >>>>>>> >> list &gt; lammps-users@lists.sourceforge.net &gt;
>> >>>>>>> >> https://lists.sourceforge.net/lists/listinfo/lammps-users &gt;
>> >>>>>>>
>> >>>>>>>
>> >>>>>>>
>> >>>>>>> --
>> >>>>>>> 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@...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@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.