Computational Materials Design

Publications of Michal Petrov

Journal Article (6)

1.
Journal Article
Fabritius, H.-O.; Ziegler, A. S.; Friák, M.; Nikolov, S. D.; Huber, J.; Seidl, B.; Lu, J.; Janus, A. M.; Petrov, M.; Zhu, L.-F. et al.; Hemzalová, P.; Hemzalová, P.; Hild, S.; Raabe, D.; Neugebauer, J.: Functional adaptation of crustacean exoskeletal elements through structural and compositional diversity: a combined experimental and theoretical study. Bioinspiration & Biomimetics 11 (5), 055006 (2016)
2.
Journal Article
Střelcová, Z.; Kulhánek, P.; Friák, M.; Fabritius, H.-O.; Petrov, M.; Neugebauer, J.; Koča, J.: The structure and dynamics of chitin nanofibrils in an aqueous environment revealed by molecular dynamics simulations. RSC Advances 6 (36), pp. 30710 - 30721 (2016)
3.
Journal Article
Petrov, M.; Lymperakis, L.; Friák, M.; Neugebauer, J.: Ab initio based conformational study of the crystalline alpha-chitin. Biopolymers 99, pp. 22 - 34 (2013)
4.
Journal Article
Nikolov, S.; Fabritius, H. O.; Petrov, M.; Friák, M.; Lymperakis, L.; Sachs, C.; Raabe, D.; Neugebauer, J.: Robustness and optimal use of design principles of arthropod exoskeletons studied by ab initio-based multiscale simulations. Journal of the Mechanical Behavior of Biomedical Materials 4, pp. 129 - 145 (2011)
5.
Journal Article
Elstnerová, P.; Friák, M.; Fabritius, H.; Lymperakis, L.; Hickel, T.; Petrov, M.; Nikolov, S.; Raabe, D.; Ziegler, A.; Hild, S. et al.; Neugebauer, J.: Ab initio study of thermodynamic, structural, and elastic properties of Mg-substituted crystalline calcite. Acta Biomaterialia 6 (12), pp. 4506 - 4512 (2010)
6.
Journal Article
Nikolov, S.; Petrov, M.; Lymperakis, L.; Friák, M.; Sachs, C.; Fabritius, H.; Raabe, D.; Neugebauer, J.: Revealing the Design Principles of High-Performance Biological Composites Using Ab initio and Multiscale Simulations: The Example of Lobster Cuticle. Advanced Materials 22 (4), pp. 519 - 526 (2010)

Book Chapter (1)

7.
Book Chapter
Friák, M.; Fabritius, H.-O.; Nikolov, S.; Petrov, M.; Lymperakis, L.; Sachs, C.; Elstnerová, P.; Neugebauer, J.; Raabe, D.: Multi‐scale Modelling of a Biological Material: The Arthropod Exoskeleton. In: Materials Design Inspired by Nature: Function Through Inner Architecture (CHAPTER 9), pp. 197 - 218 (Eds. Fratzl, P.; Dunlop, J.W.C.; Weinkamer, R.) (2013)

Conference Paper (2)

8.
Conference Paper
Petrov, M.; Holec, D.; Lymperakis, L.; Neugebauer, J.; Humphreys, C. J.: Strain-induced effects on the electronic structure and N K-edge ELNES of wurtzite AlN and AlxGa1-xN. 17th International Conference on Microscopy of Semiconducting Materials 2011, University of Cambridge, UK, April 04, 2011 - April 07, 2011. Journal of Physics Conference Series 326, pp. 012016-1 - 012016-5 (2011)
9.
Conference Paper
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)

Talk (37)

10.
Talk
Friák, M.; Petrov, M.; Nikolov, S.; Sachs, C.; Fabritius, H. O.; Hemzalová, P.; Ma, D.; Lymperakis, L.; Raabe, D.; Hild, S. et al.; Ziegler, A.; Neugebauer, J.: Nano-to-macro-scale modeling of hierarchical biocoposites. SPP 1420 Summer School, UIm, Germany (2013)
11.
Talk
Friák, M.; Petrov, M.; Nikolov, S.; Sachs, C.; Fabritius, H. O.; Hemzalová, P.; Ma, D.; Lymperakis, L.; Raabe, D.; Janus, A. M. et al.; Hild, S.; Zigler, A.; Neugebauer, J.: Arthropod cuticle: A biological multi-functional composite used as template for nano-to-macro-scale hierarchical modeling. Seventh International Conference on Materials Structure and Micromechanics of Fracture, Brno, Czech Republic (2013)
12.
Talk
Friák, M.; Petrov, M.; Nikolov, S.; Sachs, C.; Fabritius, H. O.; Elstnerová, P.; Ma, D.; Lymperakis, L.; Raabe, D.; Hild, S. et al.; Zigler, A.; Neugebauer, J.: Arthropod cuticle: A biological multi-functional composite used as template for nano-to-macro-scale hierarchical modeling. Advanced Materials 2013, Zhenjiang, China (2013)
13.
Talk
Friák, M.; Petrov, M.; Nikolov, S.; Sachs, C.; Fabritius, H.-O.; Elstnerová, P.; Ma, D.; Lymperakis, L.; Raabe, D.; Hild, S. et al.; Ziegler, A. S.; Neugebauer, J.: Arthropod cuticle: A biological multi-functional composite used as template for nano-to-macro-scale hierarchical modelling. EURO Bio-inspired Materials, International School and Conference on Biological Materials Science, Potsdam, Germany (2012)
14.
Talk
Elstnerová, P.; Friák, M.; Hickel, T.; Fabritius, H.-O.; Lymperakis, L.; Petrov, M.; Raabe, D.; Neugebauer, J.; Nikolov, S.; Ziegler, A. S. et al.; Hild, S.: Enhancing mechanical properties of calcite by Mg substitutions - An ab initio study. American Physical Society - March Meeting, Dallas, TX, USA (2011)
15.
Talk
Friák, M.; Elstnerová, P.; Lymperakis, L.; Petrov, M.; Hickel, T.; Fabritius, H.-O.; Ziegler, A. S.; Nikolov, S.; Hild, S.; Raabe, D. et al.; Neugebauer, J.: Ab initio study of thermodynamic, structural, and elastic properties of Mg-substituted crystalline calcite. TMS 2011, San Diego, CA, USA (2011)
16.
Talk
Friák, M.; Petrov, M.; Nikolov, S.; Sachs, C.; Fabritius, H.-O.; Elstnerová, P.; Ma, D.; Lymperakis, L.; Raabe, D.; Hild, S. et al.; Ziegler, A. S.; Neugebauer, J.: Arthropod cuticle: A biological multi-functional composite used as template for nano-to-macro-scale hierarchical modelling. Euro BioMat, Jena, Germany (2011)
17.
Talk
Friák, M.; Petrov, M.; Nikolov, S.; Sachs, C.; Fabritius, H.-O.; Elstnerová, P.; Ma, D.; Lymperakis, L.; Raabe, D.; Hild, S. et al.; Ziegler, A. S.; Neugebauer, J.: Arthropod cuticle: A biological multi-functional composite used as template for nano-to-macro-scale hierarchical modelling. THERMEC 2011, Quebec, Canada (2011)
18.
Talk
Elstnerová, P.; Friák, M.; Fabritius, H. O.; Hickel, T.; Lymperakis, L.; Petrov, M.; Nikolov, S.; Hild, S.; Ziegler, A.; Neugebauer, J.: Enhancing mechanical properties of calcite by Mg substitutions: A quantum-mechanical study. Multiscale design modeling 2010, Brno, Czech Republic (2010)
19.
Talk
Raabe, D.; Fabritius, H.; Nikolov, S.; Petrov, M.; Friak, M.; Elstnerová, P.; Neugebauer, J.: Ab initio based multiscale modeling of biological composites: Example of the exoskeleton of the lobster Homarus Americanus. Colloquium Lecture, Center for Nanoscience CeNS, Ludwigs-Maximilians Universität München, München, Germany (2010)
20.
Talk
Raabe, D.; Roters, F.; Eisenlohr, P.; Fabritius, H.; Nikolov, S.; Petrov, M.; Dmitrieva, O.; Hickel, T.; Friak, M.; Ma, D. et al.; Neugebauer, J.: Using ab-initio based multiscale models and experiments for alloy design. Colloquium Lecture, Institute for High Performance Computing, Agency of Science, Technology and Research, Singapore City, Singapore (2010)

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