Dresden 2014 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 4: Computational Materials Modelling I - High throughput/Material discovery

MM 4.4: Vortrag

Montag, 31. März 2014, 11:00–11:15, IFW D

Atomistic and inverse-analytical modeling of elastic properties of coherent nano-phases — Lei Chen¹, Li-Fang Zhu¹, •Martin Friák^1,2, Duancheng Ma¹, Christoph P. Race^1,3, Venkata S.P.K. Bhogireddy¹, Robert Spatschek¹, Bob Svendsen^1,4,5, Dierk Raabe¹, and Jörg Neugebauer¹ — ¹Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf, Germany — ²Institute of Physics of Materials AS CR, v.v.i., Brno, Czech Republic — ³Aachen Institute for Advanced Study in Computational Engineering Science (AICES), RWTH Aachen University, Aachen, Germany — ⁴Materials Science Centre, University of Manchester, Manchester, United Kingdom — ⁵Material Mechanics, Faculty of Georesources and Materials Engineering, RWTH Aachen University, Aachen, Germany

Coherent phases precipitating in metallic matrices are known to provide e.g. a significantly increased strength and other superior mechanical properties. Nano-sized inhomogeneities of phases, that exist only when stabilized by the surrounding matrix, represent a very specific sub-class of these composites. The stabilization via internal interfaces is crucial as these phases would be thermodynamically and/or mechanically unstable as self-standing bulk. In our study we suggest the effective merging of these coherent inhomogeneities with their interfaces into a medium that is characterized by anisotropic elastic constants fulfilling conditions of mechanical stability. We combine an inverse analytical method with atomistic simulations in order to predict elastic constants and apply our approach to bcc Cu in ferritic Fe matrix.