Ab initio Description of Iron and Steel (ADIS2026) - Defect phase diagrams enabled by modern experimental, computational and AI technologies
On-site workshop, 14 - 18 Dec 2026, Ringberg castle
Defect phase diagrams represent a transformative advancement in materials science, linking traditional thermodynamic phase descriptions with the precise control of crystal defects to engineer materials with tailored microstructures and properties. This workshop explores the theoretical underpinnings of defect phase diagrams, integrating thermodynamic principles with the behavior of point defects, grain boundaries, dislocations, and surfaces. Cutting-edge experimental techniques—such as aberration-corrected TEM and atom probe tomography—enable unprecedented observation of defect phases at the atomic scale, while computational approaches like ab initio simulations and statistical modeling facilitate their systematic prediction and analysis. By providing quantitative descriptors of local structure and chemistry, defect phase diagrams open new pathways for sustainable materials design, supporting the development of impurity-tolerant alloys essential for a circular economy. The workshop will highlight emerging design paradigms that leverage defect engineering to achieve superior performance and resilience in next-generation materials.
Organizers
Funding
The workshop is supported by
