Multi-scale Mechanics of High Entropy Alloys

This book aims to provide a comprehensive understanding of the multi-scale mechanics of high entropy alloys (HEAs). High entropy alloys are an emerging class of materials with unique structural and mechanical properties, attributed to their core effects such as high configurational entropy, sluggish diffusion, lattice distortion, and cocktail effects. The initial chapters introduce the fundamentals of HEAs, including synthesis routes, phase stability, and microstructural features. Special emphasis is placed on computational approaches, where molecular dynamics (MD) simulations and machine learning (ML)-assisted modelling are employed to predict thermodynamic, kinetic, and mechanical responses of HEAs at different length and time scales. Subsequent chapters explore the mechanical behaviour of HEAs under various deformation regimes and environmental conditions. The later chapters connect computational results with experimental observations, presenting case studies where simulations and ML models guide the interpretation of material performance. Challenges associated with large-7scale synthesis, property validation, and transferability of computational models to real-world applications are also discussed, along with future research directions. This book is intended to serve as a critical resource for researchers, engineers, and graduate students working in the field of materials science and engineering.