Simulation of structural phase transitions in NiTi

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MUTTER, Daniel, Peter NIELABA, 2010. Simulation of structural phase transitions in NiTi. In: Physical Review B. 82(22). ISSN 1098-0121. Available under: doi: 10.1103/PhysRevB.82.224201

@article{Mutter2010Simul-12447, title={Simulation of structural phase transitions in NiTi}, year={2010}, doi={10.1103/PhysRevB.82.224201}, number={22}, volume={82}, issn={1098-0121}, journal={Physical Review B}, author={Mutter, Daniel and Nielaba, Peter} }

<rdf:RDF xmlns:dcterms="" xmlns:dc="" xmlns:rdf="" xmlns:bibo="" xmlns:dspace="" xmlns:foaf="" xmlns:void="" xmlns:xsd="" > <rdf:Description rdf:about=""> <dcterms:available rdf:datatype="">2011-07-06T11:54:36Z</dcterms:available> <dc:date rdf:datatype="">2011-07-06T11:54:36Z</dc:date> <foaf:homepage rdf:resource="http://localhost:8080/jspui"/> <dspace:isPartOfCollection rdf:resource=""/> <dcterms:isPartOf rdf:resource=""/> <dcterms:title>Simulation of structural phase transitions in NiTi</dcterms:title> <dc:creator>Mutter, Daniel</dc:creator> <dc:contributor>Mutter, Daniel</dc:contributor> <dcterms:issued>2010</dcterms:issued> <void:sparqlEndpoint rdf:resource="http://localhost/fuseki/dspace/sparql"/> <dcterms:bibliographicCitation>Publ. in: Physical Review B 82 (2010), 224201</dcterms:bibliographicCitation> <dc:creator>Nielaba, Peter</dc:creator> <dc:language>eng</dc:language> <dcterms:abstract xml:lang="eng">By means of molecular-dynamics simulations, temperature-driven diffusionless structural phase transitions in equiatomic and nearly equiatomic ordered nickel-titanium alloys were investigated. For this purpose, a model potential from the literature was adopted [W. S. Lai and B. X. Liu, J. Phys.: Condens. Matter 12, L53 (2000)], which is based on the tight-binding model in second moment approximation. The model predicts a stable B19′ phase at low temperatures and a nearly cubic B2 phase at high temperatures. After an analysis of crystallography and energetics of the emerging structures, the experimentally known strong dependence of transition temperatures on composition is confirmed and related to lattice instability. Free-energy calculations finally give insight into the driving forces of the phase transitions and reveal free energy barriers inhibiting them below the transition temperatures.</dcterms:abstract> <dcterms:rights rdf:resource=""/> <bibo:uri rdf:resource=""/> <dc:rights>terms-of-use</dc:rights> <dc:contributor>Nielaba, Peter</dc:contributor> </rdf:Description> </rdf:RDF>

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