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Triaxial-Stress-Induced Homogeneous Hysteresis-Free First-Order Phase Transformations with Stable Intermediate Phases

TitleTriaxial-Stress-Induced Homogeneous Hysteresis-Free First-Order Phase Transformations with Stable Intermediate Phases
Publication TypeJournal Article
Year of Publication2017
AuthorsLevitas, VI, Chen, H, Xiong, LM
JournalPhysical Review Letters
Volume118
Pagination025701
Date Published01
Type of ArticleArticle
ISBN Number0031-9007
Accession NumberWOS:000391926900008
Keywordsfield-theory, interface, molecular-dynamics, nucleation, physics, potentials, room-temperature, silicon
Abstract

Starting with thermodynamic predictions and following with molecular dynamics simulations, special triaxial compression-tension states were found for which the stresses for the instability of the crystal lattice of silicon (Si) are the same for direct and reverse phase transformations (PTs) between semiconducting Si I and metallic Si II phases. This leads to unique homogeneous and hysteresis-free first-order PTs, for which each intermediate crystal lattice along the transformation path is in indifferent thermodynamic equilibrium and can be arrested and studied by fixing the strain in one direction. By approaching these stress states, a traditional two-phase system continuously transforms to homogenous intermediate phases. Zero hysteresis and homogeneous transformations are the optimal property for various PT applications, which drastically reduce damage and energy dissipation.

DOI10.1103/PhysRevLett.118.025701
Custom 1

Not AL

Alternate JournalPhys. Rev. Lett.