Harandi, A.; Rezaei, S.; Aghda, S. K.; Du, C.; Brepols, T.; Dehm, G.; Schneider, J. M.; Reese, S.: Numerical and experimental studies on crack nucleation and propagation in thin films. International Journal of Mechanical Sciences 258, 108568 (2023)
Rezaei, S.; Mianroodi, J. R.; Brepols, T.; Reese, S.: Direction-dependent fracture in solids: Atomistically calibrated phase-field and cohesive zone model. Journal of the Mechanics and Physics of Solids 147, 104253 (2021)
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)
Rezaei, S.; Mianroodi, J. R.; Khaledi, K.; Reese, S.: A nonlocal method for modeling interfaces: Numerical simulation of decohesion and sliding at grain boundaries. Computer Methods in Applied Mechanics and Engineering 362, 112836 (2020)
Fernández, M.; Rezaei, S.; Mianroodi, J. R.; Fritzen, F.; Reese, S.: Application of artificial neural networks for the prediction of interface mechanics: a study on grain boundary constitutive behavior. Advanced Modeling and Simulation in Engineering Sciences 7, 1 (2020)
Rezaei, S.; Jaworek, D.; Mianroodi, J. R.; Wulfinghoff, S.; Reese, S.: Atomistically motivated interface model to account for coupled plasticity and damage at grain boundaries. Journal of the Mechanics and Physics of Solids 124, pp. 325 - 349 (2019)
Rezaei, S.; Mianroodi, J. R.; Brepols, T.; Wulfinghoff, S.; Reese, S.: An interface model to account for damage and plasticity at grain boundaries. Proceedings of Applied Mathematics and Mechanics, Special Issue: 90th Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM) 19 (1), e201900214, (2019)
Max Planck scientists design a process that merges metal extraction, alloying and processing into one single, eco-friendly step. Their results are now published in the journal Nature.
Scientists of the Max-Planck-Institut für Eisenforschung pioneer new machine learning model for corrosion-resistant alloy design. Their results are now published in the journal Science Advances
It is very challenging to simulate electron-transfer reactions under potential control within high-level electronic structure theory, e. g. to study electrochemical and electrocatalytic reaction mechanisms. We develop a novel method to sample the canonical NVTΦ or NpTΦ ensemble at constant electrode potential in ab initio molecular dynamics…
Photovoltaic materials have seen rapid development in the past decades, propelling the global transition towards a sustainable and CO2-free economy. Storing the day-time energy for night-time usage has become a major challenge to integrate sizeable solar farms into the electrical grid. Developing technologies to convert solar energy directly into…
Crystal Plasticity (CP) modeling [1] is a powerful and well established computational materials science tool to investigate mechanical structure–property relations in crystalline materials. It has been successfully applied to study diverse micromechanical phenomena ranging from strain hardening in single crystals to texture evolution in…
The field of micromechanics has seen a large progress in the past two decades, enabled by the development of instrumented nanoindentation. Consequently, diverse methodologies have been tested to extract fundamental properties of materials related to their plastic and elastic behaviour and fracture toughness. Established experimental protocols are…
Statistical significance in materials science is a challenge that has been trying to overcome by miniaturization. However, this process is still limited to 4-5 tests per parameter variance, i.e. Size, orientation, grain size, composition, etc. as the process of fabricating pillars and testing has to be done one by one. With this project, we aim to…