MECHANICKÉ CHARAKTERISTIKY KRYSTALŮ SLITINY NITI STANOVENÉ POMOCÍ AB-INITIO METOD

MECHANICAL CHARAKTERISTICS OF CRYSTALS OF NITI ALLOY USING AB-INITIO METHODS

conference paper

Czech

In the last years NiTi alloy became a very important material used in many industrial applications (engineering, medicine etc.) mainly thanks to its shape memory effect. In this work we calculate some of the mechanical characteristics of typical NiTi structures (theoretical strength in tensile and shear loading, bulk modulus, Young's modulus etc.) using ab-initio computations and to compare these results with available experimental data. Computed elastic moduli are in a good agreement with available experimental data. Theoretical shear strength of B2 structure lies closer to the value for pure Ti then to that of Ni.

In the last years NiTi alloy became a very important material used in many industrial applications (engineering, medicine etc.) mainly thanks to its shape memory effect. In this work we calculate some of the mechanical characteristics of typical NiTi structures (theoretical strength in tensile and shear loading, bulk modulus, Young's modulus etc.) using ab-initio computations and to compare these results with available experimental data. Computed elastic moduli are in a good agreement with available experimental data. Theoretical shear strength of B2 structure lies closer to the value for pure Ti then to that of Ni.

NiTi alloy, ab initio calculations, elastic moduli, B2 structure

ŠESTÁK, P.; ČERNÝ, M.; POKLUDA, J.

2006

1. 1. 2006

Ústav fyziky materiálů AVČR

Brno

80-239-8271-0

Víceúrovňový design pokrokových materiálů 06

31

38

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