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DiaBall for nanodiamond structure exploring

DiaBall is the open-source application for generation, modification and visualization of diamond balls of sizes up to 10nm (nanodiamond). Obtained molecules can be stored in PDB format.

With PDB format you can use obtained diamond balls to put hydrogen atoms with OpenBabel or any other radicals on a surface with Avogadro.

Download GNU/Linux version

Download Windows version

Description of control commands

nd (282Кб)
Fig.1. Diamond ball 2 nm diameter with deformed surface atoms

Application was used for obtaining the deformed nanodiamond models for research of their electronic properties.

deformation (114Кб)
Fig. 2. (a) Magnitude of the atom position shift to the origin vs. coordinate (fitted to the function (1) with parameters s = 10, a = 0.08). (b, c) Compression of the C302 diamond ball according to the function (1). Initial diamond ball (green) and deformed (black)

dr(r)=-\frac{a}{(s-rs/R)+1}\qquad\qquad(1)

How to cite?

Denisov I.A., Zimin A.A., Bursill L.A., Belobrov P.I. Nanodiamond collective electron states and their localization // Journal of Siberian Federal University. Mathematics & Physics. 2014. Vol. 7 (1). P. 35–45. Download PDF

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