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Defects and Calcium Diffusion in Wollastonite

Wollastonite (CaSiO<sub>3</sub>) is an important mineral that is widely used in ceramics and polymer industries. Defect energetics, diffusion of Ca ions and a solution of dopants are studied using atomistic-scale simulation based on the classical pair potentials. The energetically favourable defect...

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Autors principals: Sumudu Nimasha, Sashikesh Ganeshalingam, Navaratnarajah Kuganathan, Konstantinos Davazoglou, Alexander Chroneos
Format: Artigo
Idioma:Inglês
Publicat: MDPI AG 2020-11-01
Col·lecció:Chemistry
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Accés en línia:https://www.mdpi.com/2624-8549/2/4/59
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