Nikolov, S.; Raabe, D.: Hierarchical Modeling of the Elastistic Properties of Bone at Submicron Scales: The Role of Extrafibrillar Mineralization. Biophysical Journal 94, pp. 4220 - 4232 (2008)
Nikolov, S.; Lebensohn, R. A.; Raabe, D.: Self-consistent modeling of large plastic deformation, texture and morphology evolution in semi-crystalline polymers. Journal of the Mechanics and Physics of Solids 54 (7), pp. 1350 - 1375 (2006)
Nikolov, S.; Han, C. S.; Raabe, D.: On the origin of size effects in small-strain elasticity of solid polymers. International Journal of Solids and Structures 44, pp. 1582 - 1592 (2006)
Han, C. S.; Nikolov, S.: Frank energy and size dependent deformation in polymer. 13th International Symposium on Plasticity and its Current Applications, Alaska [USA], June 02, 2007 - June 06, 2007., (2008)
Nikolov, S.; Sachs, C.; Fabritius, H.; Raabe, D.; Petrov, M.; Friak, M.; Neugebauer, J.; Lymperakis, L.; Ma, D.: Hierarchical modeling of the mechanical properties of lobster cuticle from nano‐ up to macroscale: The influence of the mineral content and the microstructure. In: Proceedings of MMM 2008 "Computational Modeling of biological and soft condensed matter systems", pp. 667 - 670. 4th International Conference on Multiscale Materials Modeling, Tallahassee, FL, USA, October 27, 2008 - October 31, 2008. Dep. of Scientific Computing, Florida State University, USA (2008)
Nikolov, S.; Roters, F.; Raabe, D.: A constitutive model with shear transformation zones plasticity and reptation-based viscoelasticity. 3th Int. Conference Multiscale Materials Modeling 2006, Freiburg, Germany, September 18, 2006 - September 22, 2006. (2006)
Nikolov, S.; Lebensohn, R. A.; Roters, F.; Raabe, D.; Ma, A.: Micromechanical modeling of large plastic deformation in semi-crystalline polymers. 12th International Symposium on Plasticity 2006, Halifax, Nova Scotia (Canada), July 17, 2006 - July 22, 2006. (2006)
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
The structures of grain boundaries (GBs) have been investigated in great detail. However, much less is known about their chemical features, owing to the experimental difficulties to probe these features at the near-atomic scale inside bulk material specimens. Atom probe tomography (APT) is a tool capable of accomplishing this task, with an ability…
Hydrogen embrittlement is one of the most substantial issues as we strive for a greener future by transitioning to a hydrogen-based economy. The mechanisms behind material degradation caused by hydrogen embrittlement are poorly understood owing to the elusive nature of hydrogen. Therefore, in the project "In situ Hydrogen Platform for…
Complex simulation protocols combine distinctly different computer codes and have to run on heterogeneous computer architectures. To enable these complex simulation protocols, the CM department has developed pyiron.
Water electrolysis has the potential to become the major technology for the production of the high amount of green hydrogen that is necessary for its widespread application in a decarbonized economy. The bottleneck of this electrochemical reaction is the anodic partial reaction, the oxygen evolution reaction (OER), which is sluggish and hence…
The computational materials design department in collaboration with the Technical University Darmstadt and the Ruhr University Bochum developed a workflow to calculate phase diagrams from ab-initio. This achievement is based on the expertise in the ab-initio thermodynamics in combination with the recent advancements in machine-learned interatomic…
The structure of grain boundaries (GBs) is dependent on the crystallographic structure of the material, orientation of the neighbouring grains, composition of material and temperature. The abovementioned conditions set a specific structure of the GB which dictates several properties of the materials, e.g. mechanical behaviour, diffusion, and…