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Atomistic modelling of phase transformation at large time and length scales: atomistic phase field approach

25 July 2023

📢 Join us for an upcoming online seminar! 🎉

📅 Date: July 26

⏰ Time: 9:30 AM

🔍 Topic: "Atomistic modelling of phase transformation at large time andlength scales: atomistic phase field approach"

👩‍🏫 Speaker: Prof.Helena ZapolskyUniversité de Rouen, France


Don't miss this insightful seminar! Tune in onlineusing the link: https://lnkd.in/dyUh42yRSee you there! 👥💡


Abstract: In recent years, significant progress has been made using molecular dynamic and Monte Carlo modelling to study the physical properties of materials at the atomic level. However, these advances have limitations when studying slowly evolving systems with typical diffusion timescales. To address this, the "Quasi-particles Approach" based on the Atomic Density Function theory and Phase Field method was proposed. This approach allows studying microstructural evolution in different materials at the diffusion timescale while maintaining atomic-scale resolution. In this lecture, Prof. Zapolsky will introduce the fundamental equations and main assumptions of this method, followed by showcasing examples of its application in studying grain boundaries' structure, interface segregation phenomena, and displacive fcc/bcc phase transformations.