Time | Author(s) | Contribution | Form |
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Section 1: Atomistic studies on deformation and fracture |
Wednesday June 26, 11:15 - 12:30, room: P1 | (a), chair: Ying Chen |
11:15 | Takahiro Shimada, Takashi Sumigawa, Takayuki Kitamura, Hiroyuki Hirakata | Fracture Criteria for Nanoscale Stress Singularity in Brittle Materials | invited |
11:45 | Martin Friák, Sabina Oweisová, Jana Pavlů, David Holec, Mojmír Šob | An ab initio Study of Thermodynamic and Mechanical Stability of Heusler-based Fe2AlCo Polymorphs | oral |
12:00 | Larisa Stepanova, Sergey Bronnikov | A Computational Study of the Mixed–mode Crack Behavior by Molecular Dynamics Method and the Multi-parameter Crack Field Description of Classical Fracture Mechanics | oral |
12:15 | Miroslav Černý, Petr Šesták, Jaroslav Pokluda | Atomistic Models of Fracture | oral |
Wednesday June 26, 14:00 - 15:30, room: P1 | (b), chair: Yoshitaka Umeno |
14:00 | Solveig Melin, Per Hansson, Aylin Ahadi | Grain Boundary Influence on the Mechanical Response to Tensile Loading for Nano-sized Cu Beams Modelled by MD Simulations | invited |
14:30 | Roman Gröger, Václav Vitek | Slip Behavior of Two Interacting 1/2<111> Screw Dislocations in bcc Metals under Uniaxial Load | oral |
14:45 | Lukas Löfler, Lukas Hatzenbichler, Matthias Bartosik, David Holec | Mechanical Properties and Dislocations in CrN/TiN Superlattices from ab initio Calculations | oral |
15:00 | Katsutoshi Hyodo, Shinji Munetoh, Toshihiro Tsuchiyama, Setsuo Takaki | Evaluation of Pinning Force on Edge Dislocation due to C and N Atoms in Iron by Molecular Dynamics Simulation | oral |
15:15 | Atsushi Kubo, Yoshitaka Umeno | First-principles Analysis of Deformation and Fracture Properties of Semiconductors | oral |
Wednesday June 26, 16:00 - 17:30, room: P1 | (c), chair: David Holec |
16:00 | Yoshitaka Umeno, Atsushi Kubo, Jan-Michael Albina | Coarse-grained Molecular Dynamics Simulation of Deformation and Fracture in Polycarbonate: Effect of Loading Mode, Strain Rate, Temperature and Molar Mass | oral |
16:15 | Martin Zelený, Lucie Bodnárová, Petr Sedlák, Hanuš Seiner, Ladislav Straka, Oleg Heczko, Alexei Sozinov, Michal Landa | Effect of Doping on Elastic Properties of Alloys Exhibiting Nanotwinning: Theory and Experiment | oral |
16:30 | Ying Chen, Arkapol Saengdeejing | First-principles Analysis of Structure and Stability in RFe12-based Compounds | oral |
16:45 | Martin Friák, Pavel Kroupa, David Holec, Mojmír Šob | A First-principles Study of Pressure-induced Iso-structural Transition in YN and ScN Characterized by a Reversal in their Elastic Anisotropy | oral |
17:00 | Sojiro Uemura, Takuya Yoshida, Monika Všianská, Martin Friák, Mojmír Šob, Kyosuke Yoshimi, Sadahiro Tsurekawa | Ab-initio Study of Alloying Effect of Titanium and Carbon on Young’s Modulus of Mo5SiB2 (T2) Phase | oral |