DFT modelling of ceramic materials and interfaces (original) (raw)

International Journal of Materials and Product Technology, 2015

Stefano Piscanec

Orfeo Sbaizero

Alessandro De Vita

Giacomo Levita

Abstract

The introduction of computer simulations has promoted significant design optimisation and cost reduction in many fields of engineering. Nowadays, atomistic modelling of materials is becoming time and cost effective not only for pure research, but also for cutting-edge ...

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