On the entropic nucleation barrier in a martensitic transformation

作者: Oliver Kastner , Roni Z. Shneck

DOI: 10.1080/14786435.2013.870671

关键词: Phase spaceCrystallographyAdiabatic processSingle crystalChemical physicsMartensiteNucleationMolecular dynamicsDiffusionless transformationPotential energyChemistry

摘要: The nucleation of martensite in alloys is hindered by a free energy barrier, hence comprising contributions the potential and entropy. leading effect commonly attributed to barrier due strain fields. In this contribution, we investigate nature entropic means molecular dynamics (MD) simulations. We study transformation process an undercooled single crystal examine two events observed under adiabatic conditions using vibrational mode analysis atomic trajectories. Our shows that martensitic nucleations are indicated transit from state uncorrelated into correlated motions. This correlation built up locally small group atoms even before product lattice can be recognized morphologically it produces ‘soft’ modes along paths. Phase space analyses unveil characterized narrow domains – ‘...

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