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Prediction of mineral cleavage families using bond-valence-weighted broken-bond density: DBv2.0 software
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DOI:10.1016/j.mineng.2026.110746.png)
Abstract
En 中文
• DBv2.0 predicts mineral cleavage families from CIF or POSCAR files in seconds. • Broken bonds are weighted by Brown–Altermatt bond valence or bond energy. • XRD reflections are reduced to unique crystallographic plane families. • Zircon case: {100} is ranked as the easiest-cleaving crystallographic family.
Keywords:
Mineral cleavage
Broken bond density
Bond valence
Crystallographic plane family
Zircon
DBv2.0 software
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