Berlin 2024 – wissenschaftliches Programm
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MM: Fachverband Metall- und Materialphysik
MM 45: Mechanical Properties and Alloy Design: e.g. Light-Weight, High-Temperature, Multicomponent Materials IV
MM 45.1: Vortrag
Mittwoch, 20. März 2024, 15:45–16:00, C 230
Ab initio insights into compositional dependence of TWIP and TRIP barriers of Ti-alloys — •David Holec1, Johann Grillitsch1, José Neves2, and Thomas Klein2 — 1Department of Materials Science, Montanuniversität Leoben, 8700 Leoben, Austria — 2LKR Light Metals Technologies, AIT Austrian Institute of Technology, 5282 Ranshofen, Austria
Advanced manufacturing, such as additive manufacturing, is a promising concept for a more material-efficient production route of components with complex shapes. However, this new technology also brings new challenges such as different microstructures and compositions. In this contribution, we will present a fundamental study on the impact of alloying species on transformation barriers in Ti-alloys. We employ ab initio methods to calculate the potential energy surface (PES) for a bcc-to-hcp transformation as a model for transformation-induced plasticity (TRIP), as well as stacking fault energies together with their barriers for different twinning mechanisms as a measure of the twinning-induced plasticity (TWIP). We present strategies for evaluating the alloying impact on those measures using a thermodynamics-based statistical averaging of various local configurations.
Keywords: Ti alloys; DFT; TWIP; TRIP; stacking fault energy