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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: saeed alborzi <alborzi.saeed6@...24...>
Date: Wed, 1 Nov 2017 14:54:19 +0330

moving helps the droplet to jump from the surface and also changes the wetting state of the droplet

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@...396...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@...43...4...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.