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Dr. Alexander Kvashnin Junior Research Scientist April 7, 2016 |
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SEMINAR ABSTRACT:Chromium metal and chromium compounds usually apply in a wide range of applications mainly relate with alloying and coatings. One of the most widespread compounds based on chromium is chromium nitride (CrN). This compound is used as a coating material for corrosion resistance and in metal forming. Here we present a comprehensive investigation of new phases of Cr-N system that was carried out using state-of-the-art variable-composition evolutionary algorithm. We predict several new phases of Cr-N compound. Dynamical stability of proposed structures was estimated in terms of phonon calculations and the stability phase diagrams for predicted phases compared to know phases were calculated using DFT with Hubbard U-term approach. Mechanical properties i.e. Vickers hardness were calculated showing that R3c-CrN4 displays hardness about 53 GPa. |
SPEAKER INTRODUCTION:Dr. Alexander Kvashnin received his MS degree in Condensed matter physics from Moscow Institute of Physics and Technology (MIPT). In March 2016 Alexander received PhD degree in condensed matter physics. Defense was held in NUST “MIS&S”. The title of PhD thesis is “Features of the formation of quasi-two-dimensional nanostructures and their physical properties”. Alexander Kvashnin joined SkolTech at November 2015 as junior research scientist of CDM2 department. His scientific interests are computational search for novel materials with desired physical properties, Characterization of these materials in terms of crystal structure, electronic structure, and physical properties using modern quantum chemical and molecular dynamics methods. Dr. Kvashnin has published about 25 papers in refereed scientific journals. |