Re: Literature on Rietveld limitations in nano materials

2019-06-11 Thread Frank Girgsdies
561d Best regards, Darren -Original Message- From: girgs...@fhi-berlin.mpg.de Sent: Thu, 6 Jun 2019 12:39:29 +0200 To: rietveld_l@ill.fr Subject: Literature on Rietveld limitations in nano materials Dear fellow Rietvelders, Could anyone point me to some nice literature which critically

Re: Literature on Rietveld limitations in nano materials

2019-06-07 Thread Matthew Rowles
We've seen that asymmetric profile in our graphene simulations. . How many 1000s of atoms can debussy/discus reasonably deal with? Matthew On Thu, 6 Jun. 2019, 19:39 Reinhard Neder, wrote: > Dear Mr Girgsdies, > > Off hand I am not aware of any critical discussion. Let me add a few >

Re: Literature on Rietveld limitations in nano materials

2019-06-06 Thread Jonathan WRIGHT
Hello, I think it would be nice if I could cite some critical discussion, or There are a couple of comments in the current issue of J.Appl.Cryst that might be interesting for you: https://doi.org/10.1107/S1600576719006575 Best, Jon

Re: Literature on Rietveld limitations in nano materials

2019-06-06 Thread Reinhard Neder
Dear Mr Girgsdies, Off hand I am not aware of any critical discussion. Let me add a few thoughts though that may help to explain the issues at hand. A Rietveld program calculates the diffraction pattern as a sum of all Bragg reflections. Initially these Bragg peaks are treated as

Literature on Rietveld limitations in nano materials

2019-06-06 Thread Frank Girgsdies
Dear fellow Rietvelders, Could anyone point me to some nice literature which critically discusses the limitations of the Rietveld method when it comes to nano-crystalline materials (specifically in the 1 to 3 nm range)? As far as I'm aware, the core Rietveld literature seems to touch this