Presenter

Klar, Paul

Format

Oral Presentation

Date

2018

DOI

https://doi.org/10.31274/aperiodic2018-180810-19

Subject Area(s)

Modulated and composite structures, Aperiodic chemical and biological crystals

2_1_Mullite_vasp_relaxed.png (187 kB)
Structural model of 2/1-mullite (x=0.4), relaxed with VASP

3_2_Mullite_vasp_relaxed.png (64 kB)
Structural model of 3/2-mullite (x=0.25), relaxed with VASP

AlSi_Ordering_superspace.png (69 kB)
Comparison of Al/Si ordering of ordered and disordered model in superspace.

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Jan 1st, 12:00 AM

DFT of incommensurate, disordered structures:ordering phenomena in mullite

 

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