Bai, Y.; Santos, D. A.; Rezaei, S.; Stein, P.; Banerjee, S.; Xu, B.-X.: A chemo-mechanical damage model at large deformation: numerical and experimental studies on polycrystalline energy materials. International Journal of Solids and Structures 228, 111099 (2021)
Umate, K. S.; Bai, Y.; Svendsen, B.; Raabe, D.: Phase-field model for Hydrogen based direct reduction of iron oxides: Role of porosity. TMS - Algorithm Development in Materials Science and Engineering, Orlando, FL, USA (2024)
The aim of the current study is to investigate electrochemical corrosion mechanisms by examining the metal-liquid nanointerfaces. To achieve this, corrosive fluids will be strategically trapped within metal structures using novel additive micro fabrication techniques. Subsequently, the nanointerfaces will be analyzed using cryo-atom probe…
In this project we study a new strategy for the theory-guided bottom up design of beta-Ti alloys for biomedical applications using a quantum mechanical approach in conjunction with experiments. Parameter-free density functional theory calculations are used to provide theoretical guidance in selecting and optimizing Ti-based alloys...