Supervisors: Dr Peter Brommer (Engineering), Dr Prakash Srirangam (Warwick Manufacturing Group) Aluminium and steel are widely employed metallic materials for automotive applications, such as in vehicle frames. Joining of these two dissimilar metals by fusion welding results in formation of brittle aluminium-iron compounds at the interface, which degrade the performance of the weld. Looking at the motion of individual atoms, we will use modelling techniques such as Molecular Dynamics (MD) and Kinetic Monte Carlo (KMC) combined with transmission electron microscopy analysis to study how iron and aluminium atoms react at the weld interface to find weld conditions where favourable intermetallic compounds form at interface. Background Dissimilar metals joining is gaining importance in various engineering applications such as automotive, aerospace, batteries and electronic industries. Aluminium (Al) and steel are two major important materials used in the automotive sector. The joining of steel to Al by fusion welding methods such as laser welding is challenging, as it can result in the formation of brittle iron intermetallic compounds (IMC) in the weld zone which degrades the mechanical properties. The weld zone properties ultimately depend on the type of IMCs, their average size, shape and distribution. The formation of IMCs at the weld joint greatly depends on the mutual solubility of iron (Fe) and aluminium (Al), diffusion of atoms at the interface, presence of dislocations etc. A better understanding of IMCs formation during laser welding of steel to Al would not only lead to improved mechanical properties of weld joints, but also help to achieve net zero emissions with usage of light-weight materials for engineering applications. In the Brommer group, we will employ atomic level modelling techniques, particularly molecular dynamics (MD) and Kinetic Monte Carlo (KMC), to study atomic motion during and after laser irradiation, as well as the mechanical properties of the weld. The effect of weld parameters on interfacial properties via mutual diffusion of Fe and Al will be experimentally supported with TEM microscopy analysis performed at WMG (Srirangam Group). Image recognition techniques would then allow direct comparison between simulation and experiment. Project This project would suit a student interested in developing and improving atomic scale simulation models of this technologically and industrially highly relevant processes The integration with experimental materials characterisation measurements is a key feature of this project. There are also international collaboration opportunities, e.g. with the University of Stuttgart for the simulation of laser-matter interactions. Find out more: https://warwick.ac.uk/fac/sci/hetsys/themes/projects2025 About us: The EPSRC Centre for Doctoral Training in Heterogeneous Modelling (HetSys), based at the University of Warwick, offers an exceptional opportunity for students from physical sciences, life sciences, mathematics, statistics and engineering backgrounds who are passionate about applying their mathematical expertise to tackle complex, real-world problems. By fostering these skills, HetSys trains the next generation of experts to challenge the cutting-edge of computational modelling in diverse, heterogeneous systems. These systems span a wide range of exciting research areas, including nanoscale devices, innovative catalysts, superalloys, smart fluids, space plasmas, and more. HetSys offers a vibrant and supportive research environment, ideal for nurturing creativity and academic growth. Our interdisciplinary student community spans multiple cohorts, each at different stages of their PhD journey, creating a rich, collaborative atmosphere. Additional Funding Information For more details visit: https://warwick.ac.uk/fac/sci/hetsys/apply/funding/ Awards for both UK residents and international applicants pay a stipend to cover maintenance as well as paying the university fees and a research training support. The stipend is at the standard UKRI rate.