can any one suggest most useful and bit accurate software for glass structure analysis which can predict/represent 3D/2D structure of atomic/molecular arrangements in a given composition.
SciGlass is a reference database. It dos not provide any information about the atomic/molecular structure of glasses. In fact, it is a vague question. It is not evident if you are trying to study the glass structure through experimental data or through computational methods. Both the techniques require some sort of software. There is enormous literature on both the topics. What are you exactly looking for?
@sudhirkumar Munishwar thank u for ur answer. I know abt SciGlass soft ware as rightly pointed out by Dr. Ashutosh Goel it is just a database and it does not provide any information regarding structure of the glass.
@ Dr. Ashutosh Goel thank you for your answer. Just i want pictorial structural representation in 2D/3D format for a given composition through computational methods with some software. if you have come across any plz suggest.
According to my experience I think this point needs an expert in x-ray diffraction to analyse the structural parameters of the glass such as determinatin of valance of the compound, coordination number and etc . Furthermore, the soft ware needed to solve the structure is not a normal computer prgram but it needs an expert to use it.
Thank you Dr. F. A. Abdel-Wahab. yes experimental data like XRD, NMR, XPS wil give much information.. but i want to know abt the software if you come across any please let me know.
@ Dr. Ashutosh Goel i have seen one of your latest papers where you have simulated the glass structure through Molecular- Dynamic simulations...can you let me know that in detail in your free time.
Dear Balaji sir, the structural representation of glassy materials is done using molecular dynamics, DFT calculations and Monte-Carlo simulation. I recently attended a glass symposium where I found many researchers use these techniques, especially for chalcogenide glasses to understand fast switching behavior, nucleation and crystal growth mechanisms. Please follow Prof. Jincheng Du, UNI and Prof. Stephen Eiliott, UCambridge.
However, only software is not sufficient. One also need experimental assistance (EXAFS, solid-state NMR, etc) to correlate and validate the model.
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