MSE Congress: Scientific Program

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Results: 29

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MESO-SCALE

Thursday (27.09.2018)

9:30

Lecture B06: Biomaterials for Bone Substitution and Regeneration
B06.1: Session 1 B06: Biomaterials for Bone Substitution and Regeneration
B06.1: Session 1
Session starts at 09:15
Innovative and Highly-Sustainable Bread-Derived Bioactive Glass Scaffolds for Bone Tissue Engineering

Ph.D. Elisa Fiume Dr. Francesco Baino Prof. Enrica Verné

16:45

Lecture M07: Modeling and Process Simulation of Fiber-Reinforced Polymers
M07.2: Forming Simulation of Continuous FRP M07: Modeling and Process Simulation of Fiber-Reinforced Polymers
M07.2: Forming Simulation of Continuous FRP
Session starts at 16:45
Multi-scale modeling approach for the process simulation of carbon fibers

Stefan Hesseler Lars Appel Dr. Scott Stapleton Prof. Dr. Thomas Gries

18:00

Highlight Lecture M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.1: Phase Interfaces M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.1: Phase Interfaces
Session starts at 18:00
From high throughput calculations to multiphase evolution in high entropy alloys

Dr. James Morris Dr. L. J. Santodonato Dr. M. C. Troparevsky Dr. R. R. Unocic Prof. P. K. Liaw

18:15

Lecture M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.1: Phase Interfaces M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.1: Phase Interfaces
Session starts at 18:00
Interface design for transition metal carbide and nitride precipitates in ferritic and austenitic steels: first-principles approach

Dr. Oleg Kontsevoi Prof. Gregory Olson

18:30

Lecture M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.1: Phase Interfaces M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.1: Phase Interfaces
Session starts at 18:00
Combined first principles and finite element modelling of micromechanical effects of Mo2C precipitates in steel

Daniel Scheiber Silvia Brunbauer Dr. Jürgen Spitaler Dr. Werner Ecker

18:45

Lecture M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.1: Phase Interfaces M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.1: Phase Interfaces
Session starts at 18:00
Double twining occurring in hexagonal metals

Dr. Vaclav Paidar Dr. Andriy Ostapovets

Friday (28.09.2018)

9:15

Highlight Lecture M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.2: Grain Boundaries I M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.2: Grain Boundaries I
Session starts at 09:15
Effect of segregation of sp-impurities on surface and grain boundary magnetism in ferromagnetic metals and intermetallics

Prof. Dr. Mojmir Sob Dr. Monika Vsianska Dr. Martin Friak Hana Vemolova

9:30

Lecture M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.2: Grain Boundaries I M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.2: Grain Boundaries I
Session starts at 09:15
Quantum-mechanical study of tensorial elastic properties and stability of interface states associated with Σ5(210) grain boundaries in Ni3(Al,Si)

Dr. Martin Friak Dr. Monika Vsianska Prof. David Holec Prof. Dr. Mojmir Sob

9:45

Highlight Lecture M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.2: Grain Boundaries I M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.2: Grain Boundaries I
Session starts at 09:15
Disconnection interaction in Cu grain boundaries

Dr. Christian Brandl

10:00

Lecture M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.2: Grain Boundaries I M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.2: Grain Boundaries I
Session starts at 09:15
Atomic-level insight into the interface properties of binary aluminum alloys

Dr. Marcela Trybula

10:15

Lecture M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.2: Grain Boundaries I M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.2: Grain Boundaries I
Session starts at 09:15
Effect of precipitation on grain boundary diffusion in Al-based alloys

Ankit Gupta Vladislav Kulitcki Bengü Tas Kavakbasi Dr. Yulia Buranova Prof. Dr. Jörg Neugebauer Prof. Dr. Gerhard Wilde Dr. Tilmann Hickel Dr. Sergiy V. Divinski

10:30

Oral Poster M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.2: Grain Boundaries I M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.2: Grain Boundaries I
Session starts at 09:15
Ab initio study of Grain Boundary Segregation in Copper

Dr. Pavel Korzhavyi Dr. Yunguo Li Dr. Cláudio Lousada Patrício

10:33

Oral Poster M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.2: Grain Boundaries I M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.2: Grain Boundaries I
Session starts at 09:15
Lattice defects in fcc Ni from ab initio perspective

Ph.D. Jana Pavlu Martina Mazalová Dr. Monika Všianská Prof. Mojmír Šob

10:36

Oral Poster M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.2: Grain Boundaries I M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.2: Grain Boundaries I
Session starts at 09:15
The impact of doping on inversion boundary formation and electronic properties in ZnO studied by ab-initio calculations

Daniel Scheiber Jürgen Spitaler Peter Supancic

10:39

Oral Poster M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.2: Grain Boundaries I M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.2: Grain Boundaries I
Session starts at 09:15
Structure and energetics of grain boundaries that lack inversion symmetry: ab initio characterization of wurtzite ZnO(0001) inversion domain boundaries

Dr. Jochen Rohrer Prof. Dr. Karsten Albe

11:15

Highlight Lecture M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.3: Grain Boundaries II M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.3: Grain Boundaries II
Session starts at 11:15
An Efficient Monte-Carlo Algorithm for Determining the Minimum Energy Structures of Metallic Grain Boundaries

Prof. Srikanth Patala Dr. Arash Banadaki

11:30

Highlight Lecture M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.3: Grain Boundaries II M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.3: Grain Boundaries II
Session starts at 11:15
Grain boundary segregation and GB sliding in Al: First principles calculations and atomistic modeling

Prof. Yuri Gornostyrev Dr. Lidia Karkina Dr. Ilya Karkin Dr. Andrei Kuznetsov

11:45

Lecture M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.3: Grain Boundaries II M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.3: Grain Boundaries II
Session starts at 11:15
Large scale 3D atomistic simulations of dislocation interactions with bicrystalline interfaces during multiaxial loading

Dr. Maxime Dupraz Dr. Satish Rao Prof. Dr. William A. Curtin Prof. Dr. Helena Van Swygenhoven Dr. Manas Upahyay

12:00

Lecture M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.3: Grain Boundaries II M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.3: Grain Boundaries II
Session starts at 11:15
Spacing Homogenization in Lamellar Eutectics with Anisotropic Interfaces

Dr. Mathis Plapp Dr. Maxime Ignacio

12:15

Lecture M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.3: Grain Boundaries II M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.3: Grain Boundaries II
Session starts at 11:15
Lattice structure disorder in multi-domain nanomaterials

Dr. Alberto Leonardi Prof. Dr. Michael Engel

12:30

Oral Poster M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.3: Grain Boundaries II M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.3: Grain Boundaries II
Session starts at 11:15
Temperature dependent interface energetics from first principles

Daniel Scheiber Dr. Maxim Popov Dr. Lorenz Romaner

12:33

Oral Poster M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.3: Grain Boundaries II M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.3: Grain Boundaries II
Session starts at 11:15
Atomistic simulation of grain boundary behaviors in nano-structured metals

Dr. Liang Zhang

12:36

Oral Poster M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.3: Grain Boundaries II M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.3: Grain Boundaries II
Session starts at 11:15
Development of EAM and RF-MEAM Fe-Y interaction potentials

Sascha Koch Dr. Pavel Vladimirov

12:39

Oral Poster M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.3: Grain Boundaries II M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.3: Grain Boundaries II
Session starts at 11:15
Mesoscopic Varistor Modelling

Kyle Taylor Dr. Erion Gjonaj

14:45

Keynote Lecture M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.4: Functional 2D Materials and Interfaces M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.4: Functional 2D Materials and Interfaces
Session starts at 14:45
Electron irradiation-induced defects and phase transformations in two-dimensional inorganic materials

Dr. Arkady Krasheninnikov

15:15

Lecture M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.4: Functional 2D Materials and Interfaces M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.4: Functional 2D Materials and Interfaces
Session starts at 14:45
Proximity effect in Fe/Fe-V superstructures

Ph.D. Boburjon Mukhamedov Dr. Alena Ponomareva

15:30

Lecture M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.4: Functional 2D Materials and Interfaces M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.4: Functional 2D Materials and Interfaces
Session starts at 14:45
High throughput design of 2D functional materials for energy applications

Dr. Xinru Li Dr. Zeying Zhang Prof. Dr. Hongbin Zhang

15:45

Lecture M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.4: Functional 2D Materials and Interfaces M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.4: Functional 2D Materials and Interfaces
Session starts at 14:45
Superconductivity and related electron-phonon properties doped antimonene

Dr. Andrei Lugovskoi Prof. Mikhail Katsnelson Dr. Alexander Rudenko

16:00

Lecture M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.4: Functional 2D Materials and Interfaces M04: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale
M04.4: Functional 2D Materials and Interfaces
Session starts at 14:45
Influence of local grain boundary structure on electronic transport in polycrystalline graphene

Delwin Perera Dr. Jochen Rohrer Prof. Dr. Karsten Albe

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