Ab-initio insights into compositional dependence of TWIP and TRIP effects in Ti-alloys

Activity: Talk or presentation / LecturePresentation at a scientific conference / workshop

Description

Advanced manufacturing methods, such as additive manufacturing, are a promising concept for a more material-efficient production route of components with complex shapes. However, this new technology also introduces new challenges such as different microstructures and compositions. Yet, further developments in many fields such as aerospace or biomedical engineering depend on these lighter, stronger and more durable materials. [1] 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). Figure 1. Potential energy surface of the transformation between bcc and hcp titanium. Note the barrier-less transformation of bcc-to-hcp at 0K following the gradient descent of energy, initially due to the shuffling of atoms followed by a cell shape change as predicted by the established theory. [2] We present strategies for evaluating the alloying impact on those measures using a thermodynamics-based statistical averaging of various local configurations.
Period15 Jul 2024
Event titleFEMS Junior EUROMAT 2024
Event typeConference
LocationManchester, United KingdomShow on map
Degree of RecognitionInternational

Research Field

  • Wire-Based Additive Manufacturing