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Publikováno v:
Suid-Afrikaanse Tydskrif vir Natuurwetenskap en Tegnologie. 40:205-211
Density functional theory (DFT) based on the first-principles technique, CASTEP, was used to explore the possibility of inducing martensitic transformation (MT) in a stable B2 TiRu alloy by systematic introduction of palladium (Pd) on the ruthenium (