Modelling glass and other amorphous solids using reverse monte carlo modelling.
One of the areas in which I am currently working is in the area of reverse monte carlo (RMC) modelling. I use the RMC code developed by Guillaume Evrard, Laszlo Pusztai and Orsolya Gereben known as RMC++ along with x-ray diffraction data to arrive at a structural solution of the system under consideration.
In its simplest form RMC modelling can be though of as a random walk of atoms within a confined space, with the final location of the atoms based on a set of specific coordinational and geometrical constraints, and some given experimental data - in our case atomic pair correlation functions obtained from x-ray diffraction data.
THIS PAGE IS STILL UNDER CONSTRUCTION. I AM GRADUALLY GETTING ROUND TO ADDING CONTENT, BUT IT IS TAKING A WHILE AS I’M TRYING TO DO SOME WORK AS WELL.
PLEASE KEEP CHECKING BACK.
DAN
The image on the left is of a Li2GeS3 glass.
The structure was modelled using g(r) and s(q) x-ray diffraction data as inputs for a RMC model.
