[mcstas-users] temperature factor

[Peter Kjær Willendrup]

Hi Tom,


PowderN (which you to my understanding are using?) does not directly implement temperature - you will have to generate separate structure input files for each temperature.

How to do this? - I guess it dependes on the software or source used to generate the .lau files. Personally, I would look at e.g. the ICSD database and find a series of experimental data and solved structures at different temperature, then use these to generate a series of lau files for McStas, one for each temperature.

Alternatively one could hack the PowderN component source code to implement some sort of temperature-dependence of the lattice parameters, but for now, there is not much implemented directly in McStas for studying these kinds of effects.


Best,

Peter


On Jun 7, 2013, at 04:18 , 陈彦舟 <wokaoyan1981 at 126.com<mailto:wokaoyan1981 at 126.com>> wrote:

Hi all,
     I found that generating lau. or laz. files should consider the temperature effect.
     My question is how will the temperature factor affect the simulation result? Can we set it to 0? Or how much should we set the value?

Best regards,
Tom


_______________________________________________
mcstas-users mailing list
mcstas-users at mcstas.org<mailto:mcstas-users at mcstas.org>
http://mailman.mcstas.org/cgi-bin/mailman/listinfo/mcstas-users

Peter Kjær Willendrup
Senior Research Engineer, Special Advisor

DTU Physics





Technical University of Denmark



[cid:image002.gif at 01CCCAF1.5E6331F0][cid:EC2A3CAB-AF57-4CEB-96B0-23F6DC35FE76 at fysik.dtu.dk]







Department of Physics
Neutrons and X-rays for Materials Physics
Fysikvej

Building 307

DK-2800 Kongens Lyngby

Direct +45 2125 4612

Mobil +45 2125 4612
Fax +45 4593 2399


pkwi at fysik.dtu.dk<mailto:pkwi at fysik.dtu.dk>



-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman2.mcstas.org/pipermail/mcstas-users/attachments/20130607/92acf2eb/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: image001.gif
Type: image/gif
Size: 58 bytes
Desc: image001.gif
URL: <http://mailman2.mcstas.org/pipermail/mcstas-users/attachments/20130607/92acf2eb/attachment.gif>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: image002.gif
Type: image/gif
Size: 1055 bytes
Desc: image002.gif
URL: <http://mailman2.mcstas.org/pipermail/mcstas-users/attachments/20130607/92acf2eb/attachment-0001.gif>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: nexmap.jpg
Type: image/jpeg
Size: 10708 bytes
Desc: nexmap.jpg
URL: <http://mailman2.mcstas.org/pipermail/mcstas-users/attachments/20130607/92acf2eb/attachment.jpg>