This hands-on lecture introduces Large Language Models (LLMs) as practical research and coding assistants in computational metallurgy. It focuses on effective workflows for prompting, MATLAB/Octave-oriented code generation and debugging, and verification/validation habits when using LLM outputs in graduate-level work.
Work-in-progress overview of the CALPHAD ecosystem, with an emphasis on how thermodynamic databases are structured and used by modern tools. (If you want, replace this paragraph with your preferred official abstract text.)
Learning goal: Understand the structure of thermodynamic databases, master three accessible CALPHAD software tools (Pandat, OpenCalphad, MatCalc), and learn about ongoing efforts to standardize database formats through XML.
Work-in-progress historical lecture on Larry Kaufman’s foundational contributions to computational phase diagrams and the evolution of CALPHAD, followed by an introduction to the SGTE pure elements database and its role in modern thermodynamic modeling.
Learning goal: Understand the Hallstedt–Noori thermodynamic database for the Al–Co–Cr–Fe–Mn–Ni–C system, learn to generate all 21 binary phase diagrams systematically using both ideal-solution models and assessed databases, and develop automated workflows for high-entropy alloy design.
This lecture explores advanced thermodynamic databases for steel design through three complementary perspectives: (1) high-pressure phase relations in the Fe–C system using Brosh’s experimental and computational work, (2) practical case studies in computational steel design from the Du–Schmid–Fetzer textbook, and (3) the open-source MatCalc thermodynamic database. Students will compare the Hallstedt–Noori database for multi-principal element alloys with the MatCalc database, adapting both for use with CompuTherm Pandat software.
This lecture explores the complex world of iron carbides and their characterization through Mössbauer spectroscopy, building upon the thermodynamic foundations established in Lecture 5. We examine three complementary perspectives: (1) characterization of iron carbides using Mössbauer spectroscopy and DFT calculations, (2) thermodynamic assessment of the Fe–C system including metastable carbides, and (3) recent advances in thermodynamic modeling from the Jacob research group at TU Wien. The lecture prepares students for advanced topics in steel transformations covered in Professor Harry Bhadeshia’s course materials.
This lecture provides a comprehensive guide to Prof. Sir Harry Bhadeshia’s seminal contributions to the understanding of martensitic transformations in steels. We examine theoretical foundations, experimental methodologies, and computational approaches across several decades, emphasizing recent developments in martensite formation, crystallography, kinetics, and mechanical properties, drawing from his teaching materials, research publications, and the textbook “Steels: Microstructure and Properties” (4th ed., 2022).
This lecture explores Prof. Sir Harry Bhadeshia’s contributions to understanding the bainite transformation in steels, emphasizing thermodynamic foundations, transformation mechanisms, microstructural characteristics, and design principles. It integrates theoretical understanding with practical design approaches, highlighting how computational methods combined with physical metallurgy enabled commercial nanostructured steels and high-performance infrastructure materials.
This paper addresses quantitative analysis of phase composition in ferromagnetic nanoparticles and the transition to single-domain magnetic state, using Fe@C nanoparticles studied with local 57Fe NMR and Mössbauer spectroscopy. It reports phases including α-iron, iron carbides, and iron–carbon solid solutions, and shows annealing-driven redistribution of phase composition with increased magnetization.