Atomistic modelling of the shape memory effect

Proceedings of an International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2005

Volumn 2, Issue , 2005, Pages 153-164

  Ackland, G J ^a  

^a UNIVERSITY OF EDINBURGH   (United Kingdom)

Author keywords

Martensite; Microstructure; Nitinol; Zirconium

Indexed keywords

CRYSTAL STRUCTURE; MICROSTRUCTURE; MOLECULAR DYNAMICS; PHASE TRANSITIONS; THERMODYNAMICS; ZIRCONIUM;

EQUILIBRIUM THERMODYNAMICS; NITINOL; SOLID-SOLID PHASE TRANSITIONS;

SHAPE MEMORY EFFECT;

EID: 33645233637     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper

References (15)

1. The entropy of a glass remains problematic. In particular, should one include the configurational entropy of all possible glass structures as in the liquid. The argument for doing so is that on glassification the system could choose any such structure - a large phase space volume, however once the glassification process is complete the system is frozen into one small region of phase space, and cannot sample "equivalent" structures in the way statistical mechanics assumes.
2. The zirconium potential used in this work gives far too low a stacking fault energy, so this dissociation may not occur in real zirconium.
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4. This defect is sometimes called a hexagonal translation twin: see Theory of Crystal Dislocations FRN Nabarro p202 (Dover, 1987)
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15. There is some confusion as to the precise meaning of displacive and diffusive at the atomic level. Here, I take displacive to mean that each atom in one structure can be mapped to a particular site in the other. This does not preclude transformations involving shuffles, or those proceeding by nucleation and growth.