Tuesday (27.09.2016)

14:30
E05: Atomistic origin of ductility
E05.1: Session 1
Session starts at 14:30 Keynote Lecture
Free energy function of dislocation densities by large scale atomistic simulation

Prof. Dr. Alexander Hartmaier Dr. Christoph Begau Dr. Godehard Sutmann

15:00
E05: Atomistic origin of ductility
E05.1: Session 1
Session starts at 14:30 Highlight Lecture
Molecular dynamics simulations of dislocation dynamics

Prof. Guy Makov Eyal Oren

15:15
E05: Atomistic origin of ductility
E05.1: Session 1
Session starts at 14:30 Lecture
B2 alloys classified according to splitting of superlattice dislocations

Dr. Vaclav Paidar

15:30
E05: Atomistic origin of ductility
E05.1: Session 1
Session starts at 14:30 Highlight Lecture
Shear mechanisms at interfaces in lamellar TiAl alloys from atomistic simulations

Dr. Rebecca Janisch Dr. Mansour Kanani Prof. Dr. Alexander Hartmaier

15:45
E05: Atomistic origin of ductility
E05.1: Session 1
Session starts at 14:30 Lecture
Narrow dislocation dipoles in deformed intermetallic gamma-TiAl

Dr. Hao Wang Prof. Dongsheng Xu Prof. David Rodney Prof. Rui Yang

16:30
E05: Atomistic origin of ductility
E05.2: Session 2
Session starts at 16:30 Lecture
Atomistic simulations of hydrogen embrittlement: theoretical tensile strength of Ni sigma5 (210) and Fe sigma5 (310) tilt grain boundaries.

Dr. Petr Sestak Dr. Petr Rehak Dr. Miroslav Cerny Dr. Jyanying He Prof. Zhiliang Zhang Prof. Jaroslav Pokluda

16:45
E05: Atomistic origin of ductility
E05.2: Session 2
Session starts at 16:30 Lecture
Atomistic simulations of hydrogen behaviour at structural defects in high-strength steels

Dr. Eunan J. McEniry Dr. Tilmann Hickel

17:00
E05: Atomistic origin of ductility
E05.2: Session 2
Session starts at 16:30 Lecture
How co-segregation of oxygen and carbon effects grain boundary cohesion in Mo

Daniel Scheiber Prof. Reinhard Pippan Dr. Lorenz Romaner Prof. Peter Puschnig

17:15
E05: Atomistic origin of ductility
E05.2: Session 2
Session starts at 16:30 Lecture
Atomistic simulations of planar defects in solids: evaluations of present and new methods for computation of strength of grain boundaries

Dr. Petr Sestak Dr. Miroslav Cerny Dr. Petr Rehak Dr. Monika Vsianska Prof. Mojmir Sob

17:30
E05: Atomistic origin of ductility
E05.2: Session 2
Session starts at 16:30 Lecture
Multiscale approach for predicting mechanical properties of interfaces

Dr. David Holec Dr. Martin Friak Monika Vsianska Dr. Darius Tytko Prof. Dr. Dierk Raabe Prof. Dr. Mojmir Sob Prof. Dr. Joerg Neugebauer

17:45
E05: Atomistic origin of ductility
E05.2: Session 2
Session starts at 16:30 Lecture
Interface-induced toughening of nitride superlattices

Dr. David Holec Dr. Petr Rehak

Wednesday (28.09.2016)

09:15
E08: Microstructural Evolution – recent advances in experiments and modelling
E08.1: Phase transformation and microstructural design
Session starts at 09:15 Keynote Lecture
Shake, rattle and roll! Direct observation of grain rotations during coarsening of a semisolid Al-Cu alloy

Prof. Carl E. Krill Jules M. Dake Dr. Jette Oddershede Dr. Søren Schmidt Dr. Henning O. Sørensen Dr. Thomas Werz J. Cole Shatto

09:45
E08: Microstructural Evolution – recent advances in experiments and modelling
E08.1: Phase transformation and microstructural design
Session starts at 09:15 Lecture
Austenite grain growth investigated by complementary in-situ techniques

Prof. Ernst Gamsjäger Walter Antonio Tichauer Dr. Thomas Garcin Prof. Dr. Matthias Militzer

10:00
E08: Microstructural Evolution – recent advances in experiments and modelling
E08.1: Phase transformation and microstructural design
Session starts at 09:15 Lecture
Investigating the interactive relationship between dendritic growth kinetics and solutal field evolution by in-situ X-ray monitoring the solidification of an Al-Ge alloy

Maike Becker Dr. Stefan Klein Prof. Florian Kargl

10:15
E08: Microstructural Evolution – recent advances in experiments and modelling
E08.1: Phase transformation and microstructural design
Session starts at 09:15 Lecture
Modeling temperature and concentration dependent solid/liquid interfacial energies

Dr. Stephanie Lippmann Prof. Dr. In-Ho Jung Dr. Manas Paliwal Prof. Dr. Markus Rettenmayr

10:30
E08: Microstructural Evolution – recent advances in experiments and modelling
E08.1: Phase transformation and microstructural design
Session starts at 09:15 Highlight Lecture
Computational design of a NiCrAlY coating alloy and experimental investigation of high temperature phase transformations

Prof. Dr. Christoph Leyens Stefan Heinze J.C. Schab Dr. P.-D. Grasso A. Stankowski

11:15
E08: Microstructural Evolution – recent advances in experiments and modelling
E08.2: Solid / solid phase transformation and dislocations
Session starts at 11:15 Lecture
Representative volume element (RVE) studies for the simulation of mechanical effects related to transformation induced plasticity

Alexander Sannikov

11:30
E08: Microstructural Evolution – recent advances in experiments and modelling
E08.2: Solid / solid phase transformation and dislocations
Session starts at 11:15 Lecture
Plastic accommodation in austenite matrix during the formation of lath martensite of Fe-Ni alloy

Dr. Junya Inoue Taku Niino Dr. Mayumi Ojima Prof. Akinori Yamanaka Prof. Toshihiko Koseki

11:45
E08: Microstructural Evolution – recent advances in experiments and modelling
E08.2: Solid / solid phase transformation and dislocations
Session starts at 11:15 Lecture
Influence of the Initial Microstructure on the Kinetics of Microstructural Evolutions During Ageing in the Titanium Alloy Ti17

Dipl.-Ing. Nicolas Maury Dr. Moukrane Dehmas Dr. Elisabeth Aeby-Gautier Benoît Denand Dr. Benoît Appolaire Dr. Claude Archambeau-Mirguet Dr. Jérôme Delfosse Philippe Emile

12:00
E08: Microstructural Evolution – recent advances in experiments and modelling
E08.2: Solid / solid phase transformation and dislocations
Session starts at 11:15 Lecture
Dislocation assisted rafting in Nickel-based superalloys: a coupled phase-field / continuum dislocation dynamics model

Institut für Werkstoffsimulation Friedrich-Alexander-Universität Erlangen-Nürnberg Ronghai Wu

12:15
E08: Microstructural Evolution – recent advances in experiments and modelling
E08.2: Solid / solid phase transformation and dislocations
Session starts at 11:15 Lecture
Acoustic Induced Vibration and Failure Assessment in Piping

Prof. Dr. Bakr Rabeeh Prof. Dr. Yasser Fouad

12:30
E08: Microstructural Evolution – recent advances in experiments and modelling
E08.2: Solid / solid phase transformation and dislocations
Session starts at 11:15 Lecture
Towards a more thorough understanding of dislocation contributions in shape-memory alloys

Prof. Dr. Heike Emmerich Dr. Julia Kundin

14:45
E01: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers
E01.1: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers I
Session starts at 14:45 Lecture
A Mean-Field Description for Elongated Microstructures in Ellipsoidal Samples of Magneto-Sensitive Elastomers

Dirk Romeis Dr. Marina Saphiannikova

E02: Experimental and Computational Thermodynamics and Kinetics
E02.1: Lithium-Ion Batteries
Session starts at 14:45 Keynote Lecture
Electromotive force study of Li-Sb alloys

Dr.-Ing. Przemyslaw Fima Sylwia Terlicka

E07: Integrated Computational Materials Engineering (ICME) for Materials Design using Numerical Synchronized Approaches Linking Different Scale Algorithms
E07.1: Session 1
Session starts at 14:45 Highlight Lecture
Multiscale modeling of bakes hardening effect on the mechanical behavior of DP steels

Ali Ramazani Dr. Ulrich Prahl Prof. Ronald Larson

15:00
E01: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers
E01.1: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers I
Session starts at 14:45 Lecture
Modeling and simulation of coupling effects in magnetorheological elastomers

Dipl.-Ing. Philipp Metsch Karl Kalina Dr. Markus Kästner

E07: Integrated Computational Materials Engineering (ICME) for Materials Design using Numerical Synchronized Approaches Linking Different Scale Algorithms
E07.1: Session 1
Session starts at 14:45 Lecture
Phase-field crystal modelling for ICME: Scale-bridging description of nonlinear elastic effects

Marc Weikamp Dr. Claas Hüter Diego Schicchi Prof. Dr. Robert Spatschek Dr. Martin Hunkel Mingxuan Lin Dr. Ulrich Prahl Dr. Martin Friák

15:15
E01: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers
E01.1: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers I
Session starts at 14:45 Lecture
Chemo-mechanical coupling in shape memory polymers: Theory versus experiment

Dipl.-Ing. Elias Mahmoudinezhad Zirdehi Dr. Fathollah Varnik

E02: Experimental and Computational Thermodynamics and Kinetics
E02.1: Lithium-Ion Batteries
Session starts at 14:45 Lecture
Thermodynamic Study of the Li-Sb System

Dr. Dajian Li Alexander Beutl Prof. Dr. Hans Flandorfer Dr. Damian M. Cupid

E07: Integrated Computational Materials Engineering (ICME) for Materials Design using Numerical Synchronized Approaches Linking Different Scale Algorithms
E07.1: Session 1
Session starts at 14:45 Lecture
D2C - analyzing, comparing, and validating arbitrary dislocation microstructure within a multiscale data framework

Institut für Werkstoffsimulation Friedrich-Alexander-Universität Erlangen-Nürnberg Dominik Steinberger Dr. Nina Gunkelmann

15:30
E01: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers
E01.1: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers I
Session starts at 14:45 Lecture
Ripening and rearrangements of precipitates under mechanochemical coupling

Dr. Reza Darvishi Kamachali Christian Schwarze Prof. Dr. Ingo Steinbach

E02: Experimental and Computational Thermodynamics and Kinetics
E02.1: Lithium-Ion Batteries
Session starts at 14:45 Keynote Lecture
Integrated Computational Materials Engineering (ICME) of alloy anode materials for Li-ion batteries

Dr. Thomas Reichmann Dr. Dajian Li Dr. Damian Cupid

E07: Integrated Computational Materials Engineering (ICME) for Materials Design using Numerical Synchronized Approaches Linking Different Scale Algorithms
E07.1: Session 1
Session starts at 14:45 Lecture
Analysis and Data Mining of Discrete Dislocation Data with the D2C Framework

Dominik Steinberger Dr. Stefan Sandfeld

15:45
E01: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers
E01.1: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers I
Session starts at 14:45 Lecture
Thermodynamics and kinetics of precipitate formation in the Al-Sc system

Ankit Gupta Bengü Tas-Kavakbasi Dr. Biswanath Dutta Dr. Tilmann Hickel Dr. Sergiy V. Divinski Prof. Gerhard Wilde Prof. Dr. Jörg Neugebauer

E07: Integrated Computational Materials Engineering (ICME) for Materials Design using Numerical Synchronized Approaches Linking Different Scale Algorithms
E07.1: Session 1
Session starts at 14:45 Lecture
Attractor modelling effect in microstructure data analysis as a predictive indicator of material scales

Dr. Fairouz Bettayeb Boubakr BOUSSIALA Dr. Amar BOUTAGHANE

16:00
E01: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers
E01.1: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers I
Session starts at 14:45 Lecture
Effect of precipitation on grain boundary diffusion in an Al-based alloy

Bengü Tas Kavakbasi Vladislav Kulitckii Ankit Gupta Yulia Buranova Biswanath Dutta Dr. Tilmann Hickel Dr. Sergiy V. Divinski Prof. Dr. Gerhard Wilde

E02: Experimental and Computational Thermodynamics and Kinetics
E02.1: Lithium-Ion Batteries
Session starts at 14:45 Lecture
Electrochemical investigations of a possible new phase in the binary Li-Sn system with an improved Coulometric Titration method

Hans Giel Dr. David Henriques Prof. Dr. Torsten Markus

E07: Integrated Computational Materials Engineering (ICME) for Materials Design using Numerical Synchronized Approaches Linking Different Scale Algorithms
E07.1: Session 1
Session starts at 14:45 Highlight Lecture
Homogenization of plastic properties of martensitic steels using crystal plasticity

Hamad ul Hassan Rehman Hameed Dr. Anxin Ma Prof. Dr. Alexander Hartmaier

16:45
E01: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers
E01.2: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers II
Session starts at 16:45 Lecture
Spatially Resolved Through-Process Modelling

Dr.-Ing. Martin Diehl Dr. Franz Roters Dr. Pratheek Shanthraj Prof. Dr. Dierk Raabe

E02: Experimental and Computational Thermodynamics and Kinetics
E02.2: Oxides and Oxidation of Metals
Session starts at 16:45 Keynote Lecture
Thermodynamic description of reactions between Mg and CaO

Prof. Dr. Rainer Schmid-Fetzer Artem Kozlov Björn Wiese Chamini Mendis Domonkos Tolnai Karl Kainer Norbert Hort

E07: Integrated Computational Materials Engineering (ICME) for Materials Design using Numerical Synchronized Approaches Linking Different Scale Algorithms
E07.2: Session 2
Session starts at 16:45 Lecture
Investigation on the thermo-mechanical properties of additive manufactured IN718 based on micromechanical simulations

Maria Baiker Jan Pagenkopf Dr. Dirk Helm

17:00
E01: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers
E01.2: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers II
Session starts at 16:45 Lecture
Multiscale finite-element and phase-field model of bainitic transformation during press hardening

Mingxuan Lin Dr. Ulrich Prahl Diego Said Schicchi Dr. Martin Hunkel Marc Weikamp Dr. Claas Hüter Dr. Robert Spatschek

E07: Integrated Computational Materials Engineering (ICME) for Materials Design using Numerical Synchronized Approaches Linking Different Scale Algorithms
E07.2: Session 2
Session starts at 16:45 Lecture
Thermo-mechanical proprieties of the steel shell formed during continuous casting process

Viktor Kripak Dr. Ulrich Prahl Prof. Dr. Wolfgang Bleck

17:15
E01: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers
E01.2: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers II
Session starts at 16:45 Lecture
A Thermodynamic Approach to Represent the Interaction between Grain Coarsening and Second Phase Particles

Lukas Kertsch Dr. Dirk Helm

E02: Experimental and Computational Thermodynamics and Kinetics
E02.2: Oxides and Oxidation of Metals
Session starts at 16:45 Lecture
Experimental and thermodynamic descriptions of the binary systems in the BaO-SrO-CaO-MgO-Al2O3-SiO2 system

Rui Zhang Dr. Huahai Mao Prof. Dr. Pekka Taskinen

E07: Integrated Computational Materials Engineering (ICME) for Materials Design using Numerical Synchronized Approaches Linking Different Scale Algorithms
E07.2: Session 2
Session starts at 16:45 Lecture
A study on the effect of incorporation of microstructure information on macroscale finite element simulation of inter-critical annealing in Dual Phase Steel

John Deepu Hamidreza Farivar Pramod Zagade Danish Khan Gerald Rothenbucher Prof. Gandham Phanikumar Dr. Ulrich Prahl Dr. Ralph Bernhardt Dr. Gautham BP

17:30
E01: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers
E01.2: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers II
Session starts at 16:45 Lecture
Phase field modeling of diffusion-limited precipitation in multi-component Ni-based superalloys

Dr. Michael Fleck Leslie T. Mushongera Frank Querfurth Markus Thäter Philipp Amendt Dr. Julia Kundin Prof. Dr. Heike Emmerich

E02: Experimental and Computational Thermodynamics and Kinetics
E02.2: Oxides and Oxidation of Metals
Session starts at 16:45 Lecture
Thermodynamic investigations of the Ti-Al-O ternary system

Dipl.-Ing. Mariia Ilatovskaia Dr. Olga Fabrichnaya

E07: Integrated Computational Materials Engineering (ICME) for Materials Design using Numerical Synchronized Approaches Linking Different Scale Algorithms
E07.2: Session 2
Session starts at 16:45 Lecture
2D-RVE simulation of stress-strain behavior of a strain-induced ferrite single phase following its kinetics of formation

Phillip Springer Dr. Ulrich Prahl Prof. Dr. Wolfgang Bleck

17:45
E01: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers
E01.2: Microstructure and property evolution in applied materials: Aspects of chemo-mechanical coupling in metals and polymers II
Session starts at 16:45 Lecture
Effect of chemo-mechanical coupling on phase transformations in steel

Dr. Oleg Shchyglo Matthias Stratmann Prof. Dr. Ingo Steinbach

E02: Experimental and Computational Thermodynamics and Kinetics
E02.2: Oxides and Oxidation of Metals
Session starts at 16:45 Lecture
Effect of gas flow rate on oxidation behaviour of Ni-base alloys in wet gas - Modelling and experimental verification -

Dr. Pawel Huczkowski Dr. Anton Chyrkin Dr. Rishi Pillai Elham Hejrani Prof. Dr. Willem J. Quadakkers

E07: Integrated Computational Materials Engineering (ICME) for Materials Design using Numerical Synchronized Approaches Linking Different Scale Algorithms
E07.2: Session 2
Session starts at 16:45 Lecture
Micromechanical modeling of fatigue behavior of DP steels

Ghazal Moeini Dr. Ali Ramazani Prof. Ronald Larson Prof. Dr. Carsten Könke

Thursday (29.09.2016)

09:15
E02: Experimental and Computational Thermodynamics and Kinetics
E02.3: Metal Systems
Session starts at 09:15 Lecture
Experimental investigation and thermodynamic modelling of internal oxidation of Fe-Cr-Al alloys

Seyedhossein Miran Dr. Peter Franke Prof. Dr. Hans Jürgen Seifert

E03: Multiscale description of advanced materials properties
E03.1: Atomistic simulations of materials' structure and dynamics
Session starts at 09:15 Keynote Lecture
Low-dimensional materials: interplay between theory and experiment

Prof. Dr. Marek Sierka

E04: Atomistic to Mesoscale Modelling and Characterization of Materials for Energy Applications
E04.1: Energy materials and advanced ceramics
Session starts at 09:15 Keynote Lecture
Characterization and Multiscale Simulation of Particle Systems for High Performance Ceramic Materials

Dr.-Ing. Stefan Rasche Dr. Arshad Tahir Prof. Dr. Carsten Könke

09:30
E02: Experimental and Computational Thermodynamics and Kinetics
E02.3: Metal Systems
Session starts at 09:15 Lecture
Phase equilibria and quenched phases in the Ti–Al–Mo system

Dr.-Ing. Mario J. Kriegel Prof. Dr. Jens Freudenberger Dr. Volker Klemm Dr. Olga Fabrichnaya Prof. Dr. Andreas Leineweber Prof. Dr. David Rafaja

09:45
E02: Experimental and Computational Thermodynamics and Kinetics
E02.3: Metal Systems
Session starts at 09:15 Lecture
Thermodynamic Modeling of the Al-Mn-C system

Florian Tang Dr. Bengt Hallstedt Iuliia Fartushna Irina Bajenova Dr. Alexandra Khvan

E03: Multiscale description of advanced materials properties
E03.1: Atomistic simulations of materials' structure and dynamics
Session starts at 09:15 Highlight Lecture
On the Stability of Lamellar Growth During Discontinuous Precipitation: A Phase-Field Simulation

Prof. Lynda Amirouche Prof. Dr. Mathis Plapp

E04: Atomistic to Mesoscale Modelling and Characterization of Materials for Energy Applications
E04.1: Energy materials and advanced ceramics
Session starts at 09:15 Highlight Lecture
Hybrid fuel cells with carbonate/oxide composite electrolytes: a combined experimental and modeling strategy

Dr. Labat Frederic Chiara Ricca Dr. Armelle Ringuedé Prof. Michel Cassir Prof. Carlo Adamo

10:00
E02: Experimental and Computational Thermodynamics and Kinetics
E02.3: Metal Systems
Session starts at 09:15 Lecture
Thermodynamic and kinetic modeling for multicomponent cemented carbides and their applications

Dr. Weibin Zhang Prof. Dr. Yong Du Dr. Yingbiao Peng Dr. Peng Zhou Dr. Na Li

E03: Multiscale description of advanced materials properties
E03.1: Atomistic simulations of materials' structure and dynamics
Session starts at 09:15 Lecture
Crystallography and thermodynamics of bcc nucleation in fcc-Fe by molecular dynamics simulation

Ph.D. Xiaoqin Ou Prof. Jilt Sietsma Dr. Maria J. Santofimia

E04: Atomistic to Mesoscale Modelling and Characterization of Materials for Energy Applications
E04.1: Energy materials and advanced ceramics
Session starts at 09:15 Lecture
First principles structure prediction and NMR study of lithium/sodium ion batteries anodes

Dipl.-Ing. Martin Mayo Kent J. Griffith Prof. Chris J. Pickard Prof. Clare P. Grey

10:15
E02: Experimental and Computational Thermodynamics and Kinetics
E02.3: Metal Systems
Session starts at 09:15 Lecture
Sound velocity as a tool for phase diagram analysis under pressure

Ph.D. Moran Emuna Dr. Yaron Greenberg Dr. Eyal Yahel Prof. Guy Makov

E03: Multiscale description of advanced materials properties
E03.1: Atomistic simulations of materials' structure and dynamics
Session starts at 09:15 Lecture
Nanoindentation in single-crystalline Fe: Microstructure and magnetic disorder

Dr. Andreas Mutter Dr. Binjun Wang Dr. YU Gao Dr. Herbert, M. Urbassek

E04: Atomistic to Mesoscale Modelling and Characterization of Materials for Energy Applications
E04.1: Energy materials and advanced ceramics
Session starts at 09:15 Lecture
A constitutive model for orthotropic damage in an all oxide woven ceramic matrix composite material

Neraj Jain Dr. Severin Hofmann Prof. Dr. Dietmar Koch Dr. Ivaylo Vladimirov Dr. Jürgen Göring

10:30
E02: Experimental and Computational Thermodynamics and Kinetics
E02.3: Metal Systems
Session starts at 09:15 Lecture
Experimental investigation and thermodynamic modeling of the Al-Cr-Mo-Ni system

Dr. Jian Peng Dr. Peter Franke Dr. Dario Manara Prof. Dr. Rudy Konings Prof. Dr. Hans Seifert

E04: Atomistic to Mesoscale Modelling and Characterization of Materials for Energy Applications
E04.1: Energy materials and advanced ceramics
Session starts at 09:15 Oral Poster
First-principles design of a borocarbonitride-based anode for superior performance in sodium-ion batteries and capacitors

Dr. Siamkhanthang Neihsial

10:33
E04: Atomistic to Mesoscale Modelling and Characterization of Materials for Energy Applications
E04.1: Energy materials and advanced ceramics
Session starts at 09:15 Oral Poster
Diffusion properties of anode metals studied using DFT: growth phenomena and the effect of an electric field

Markus Jäckle Prof. Dr. Axel Groß

10:36
E04: Atomistic to Mesoscale Modelling and Characterization of Materials for Energy Applications
E04.1: Energy materials and advanced ceramics
Session starts at 09:15 Oral Poster
Ab initio molecular dynamics simulation of a glass-electrolyte with high ionic conductivity and dielectric constant

Prof. Maria Helena Braga Prof. Dr. John B. Goodenough

10:39
E04: Atomistic to Mesoscale Modelling and Characterization of Materials for Energy Applications
E04.1: Energy materials and advanced ceramics
Session starts at 09:15 Oral Poster
Thermodynamic calculations in the Y-Si-C-O-H system - Phase stability and corrosion resistance of Yttrium-Silicate EBCs on SiC in moist atmosphere

Ingo Markel Dr. Damian M. Cupid Dr. Martin Steinbrück Prof. Dr. Hans J. Seifert

11:15
E02: Experimental and Computational Thermodynamics and Kinetics
E02.4: First Principles
Session starts at 11:15 Lecture
Running Statistical Mechanics "In Reverse": Converting High-Temperature Measurements into 0 Kelvin Predictions

Elizabeth Decolvenaere Prof. Michael Gordon Prof. Anton Van der Ven

E03: Multiscale description of advanced materials properties
E03.2: From atomic scale up: multiscale modelling
Session starts at 11:15 Keynote Lecture
Atomistic Modelling of Self-Assembly Kinetics of Complex Structures

Dr. Gilles Demange Dr. Mykola Lavrskyi Reanud Patte Prof. Helena Zapolsky

E04: Atomistic to Mesoscale Modelling and Characterization of Materials for Energy Applications
E04.2: Nano-reinforced soft matter
Session starts at 11:15 Keynote Lecture
Multi-scale modelling and analysis framework of nano particle reinforced soft matter

Prof. Dr. Stefanie Reese Deepanshu Sodhani

11:30
E02: Experimental and Computational Thermodynamics and Kinetics
E02.4: First Principles
Session starts at 11:15 Lecture
Ab-initio investigation of the anomalous thermodynamic behavior of W-Re alloys

Jürgen Spitaler Thomas Dengg Dr. Vsevolod Razumovskiy Dr. Lorenz Romaner Prof. Dr. Peter Puschnig

11:45
E02: Experimental and Computational Thermodynamics and Kinetics
E02.4: First Principles
Session starts at 11:15 Lecture
DFT calculations of various Fe4N and Fe4C superstructures

Prof. Dr. Andreas Leineweber Beshid A. Manavi Dr. Sascha B. Maisel

E03: Multiscale description of advanced materials properties
E03.2: From atomic scale up: multiscale modelling
Session starts at 11:15 Highlight Lecture
3D Phase-Field Simulation of the Discontinuous Precipitation reaction

Prof. Lynda Amirouche

E04: Atomistic to Mesoscale Modelling and Characterization of Materials for Energy Applications
E04.2: Nano-reinforced soft matter
Session starts at 11:15 Lecture
A Platform to Couple Micro-Mechanical Models of Different Inelastic Phenomena in Elastomeric Nano-Composites

Prof. Dr. Roozbeh Dargazany Leila Khalili

12:00
E02: Experimental and Computational Thermodynamics and Kinetics
E02.4: First Principles
Session starts at 11:15 Lecture
Thermodynamic properties of the quaternary Q phase in Al-Cu-Mg-Si: a combined ab-initio, phonon and compound energy formalism approach

Ali Zendegani Dr. Fritz Körmann Dr. Tilmann Hickel Dr. Bengt Hallstedt Prof. Dr. Jörg Neugebauer

E03: Multiscale description of advanced materials properties
E03.2: From atomic scale up: multiscale modelling
Session starts at 11:15 Lecture
Thermo-Fluid Dynamical Simulation of Selective Laser Melting of Molybdenum

Dr. Karl-Heinz Leitz Peter Singer Dr. Arno Plankensteiner Dr. Bernhard Tabernig Dr. Heinrich Kestler Prof. Dr. Lorenz Sigl

E04: Atomistic to Mesoscale Modelling and Characterization of Materials for Energy Applications
E04.2: Nano-reinforced soft matter
Session starts at 11:15 Lecture
Thermoelectrically Modeling in Unidirectional Carbon nFiber (UCnF) Reinforced Shape Memory Polymers-(SMPs) Nanostrip Multilayers on the TURBOCHARGERS

Dr.-Ing. Paul-Cristian Olaru

12:15
E02: Experimental and Computational Thermodynamics and Kinetics
E02.4: First Principles
Session starts at 11:15 Lecture
Ab-initio study of the phase diagrams of elements

Ph.D. Uri Argaman Dr. Eitan Eidelstein Dr. Ohad Levy Prof. Guy Makov

E03: Multiscale description of advanced materials properties
E03.2: From atomic scale up: multiscale modelling
Session starts at 11:15 Lecture
Structure, kinetics and thermodynamics of liquid Al-based alloys: atomic to macroscale description

Dr. Marcela Trybula Prof. Dr. Wladyslaw Gasior Prof. Alain Pasturel

E04: Atomistic to Mesoscale Modelling and Characterization of Materials for Energy Applications
E04.2: Nano-reinforced soft matter
Session starts at 11:15 Lecture
Evaluation of tearing energy based on a micromechanical model for filler reinforced elastomers

Matthias Wunde Manfred Klüppel

12:30
E02: Experimental and Computational Thermodynamics and Kinetics
E02.4: First Principles
Session starts at 11:15 Lecture
Modeling ruthenium chemistry in primary circuit in severe accident conditions occurring to nuclear power plant

Ph.D. Faoulat Miradji Dr. Florent Louis Dr. Sidi Souvi Dr. Valérie Vallet Dr. Laurent Cantrel

E03: Multiscale description of advanced materials properties
E03.2: From atomic scale up: multiscale modelling
Session starts at 11:15 Oral Poster
From database-powered models to quantum chemistry: NMR data estimation in modern interdisciplinary research

Dr. Przemyslaw Szafranski Dr. Marcela E. Trybula Prof. Dr. Marek Cegla

E04: Atomistic to Mesoscale Modelling and Characterization of Materials for Energy Applications
E04.2: Nano-reinforced soft matter
Session starts at 11:15 Oral Poster
Stress analysis of TBC coated nickel base superalloys for gas turbine applications with laser drilled holes under cyclic oxidation and TMF loading scenarios

Vahid Ebrahimzade Dr. Jürgen Malzbender Prof. Dr. Lorenz Singheiser

12:33
E03: Multiscale description of advanced materials properties
E03.2: From atomic scale up: multiscale modelling
Session starts at 11:15 Oral Poster
Solid-liquid interface confinement and its effect on the crystallization kinetics: Linking molecular-dynamics simulation and phase-field modeling

Dr. Mohammed Guerdane

E04: Atomistic to Mesoscale Modelling and Characterization of Materials for Energy Applications
E04.2: Nano-reinforced soft matter
Session starts at 11:15 Oral Poster
On the reinforcement properties in filled elastomers

Prof. Dr. Daniel Juhre

12:39
E03: Multiscale description of advanced materials properties
E03.2: From atomic scale up: multiscale modelling
Session starts at 11:15 Oral Poster
Molecular structural mechanics applied to Predicting of Young’s modulus of carbon penta-graphene and penta-nanotubes

Ph.D. Azzaz Hamza Dr. FADEL Nabil Dr. TAHI Sid Ahmed Lamine Dr. REZZOUG amine Dr. CHATERBACHE Omar Prof. DAHMOUN Djaffar

12:42
E03: Multiscale description of advanced materials properties
E03.2: From atomic scale up: multiscale modelling
Session starts at 11:15 Oral Poster
Surface Excess Elasticity: Influence on Nanowire Stiffness from First Principles

Dipl.-Ing. Beatrix Elsner Stefan Müller Jörg Weissmüller

15:00
E02: Experimental and Computational Thermodynamics and Kinetics
E02.5: Miscellaneous
Session starts at 15:00 Lecture
Kinetic and isotherm investigations of removal [AUCl4]– with novel Mg/Al-NO3 hydrotalcite-magnetite

Triastuti Sulistyaningsih Prof. Dr. Sri Juari Santosa Dr. Dwi Siswanta Prof. Dr. Bambang Rusdiarso

15:15
E02: Experimental and Computational Thermodynamics and Kinetics
E02.5: Miscellaneous
Session starts at 15:00 Lecture
Thermochemical energy storage and heat transformation based on SrBr2: generic reactor concept for validation experiments

Jana Stengler Dr. Margarethe Richter Dr. Marc Linder

15:30
E02: Experimental and Computational Thermodynamics and Kinetics
E02.5: Miscellaneous
Session starts at 15:00 Lecture
Modeling and Simulation of Thermal Runaway in Cylindrical 18650 Lithium-Ion Batteries

Dr. Carlos Ziebert Dr. Carlos Ziebert Boxia Lei Dr. Magnus Rohde Prof. Dr. Hans Jürgen Seifert Dr. Andreas Melcher

15:45
E02: Experimental and Computational Thermodynamics and Kinetics
E02.5: Miscellaneous
Session starts at 15:00 Lecture
Prediction of precipitation sequence and mechanical properties of Al-Mg-Si-Cu casting alloys

Dr. Chang-Seok Oh

16:00
E02: Experimental and Computational Thermodynamics and Kinetics
E02.5: Miscellaneous
Session starts at 15:00 Lecture
Cellular Automata Simulation of Oxidation-Resistant Interdiffusion Layers on Steels

Kamil Balinski Katrin Jahns Martin Landwehr Prof. Dr. John Nicholls Prof. Dr. Jürgen Wübbelmann Prof. Dr. Ulrich Krupp

16:15
E02: Experimental and Computational Thermodynamics and Kinetics
E02.5: Miscellaneous
Session starts at 15:00 Lecture
Adsorption kinetics of methyl violet dye from aqueous solutions by modified kapok sawdust

Dr. Widi Astuti Dr. Triastuti Sulistyaniingsih Masni Maksiola

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