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Quantum parameters for guiding the design of Ti alloys with shape memory and/or low elastic modulus

Autor
Arciniegas, M.; Peña, F.; Manero, J.; Paniagua, J.; Gil, F.J.
Tipus d'activitat
Article en revista
Revista
Philosophical magazine
Data de publicació
2010-07-27
Volum
88
Número
17
Pàgina inicial
2529
Pàgina final
2548
DOI
https://doi.org/10.1080/14786430802375667 Obrir en finestra nova
URL
http://www.tandfonline.com/doi/abs/10.1080/14786430802375667 Obrir en finestra nova
Resum
Electronic structure calculations based on density functional theory have been applied to clusters of titanium with different alloying elements in order to obtain quantum parameters that give some information on the interaction between the mother and alloying atoms. Average values of these parameters weighted with the molar fractions have been calculated for 146 titanium alloys that exhibit shape memory and/or low elastic modulus. These values have been mapped in order to identify zones that gro...
Paraules clau
density functional theory, low elastic modulus, shape memory alloys, titanium alloys
Grup de recerca
BBT - Biomaterials, Biomecànica i Enginyeria de Teixits
CREB - Centre de Recerca en Enginyeria Biomedica
CRnE - Centre de Recerca en Ciència i Enginyeria Multiescala de Barcelona

Participants