Programme

Sunday, October 26th

16:00 Start of registration

19:00 Welcome reception

Monday, October 27th

08:00 Breakfast

08:40 Opening: Organizers

Magnetic and lattice excitations I

08:45-09:45 Igor A. Abrikosov (Linköping University, Sweden): Recent progress in simulations of paramagnetic state of magnetic materials

10:00-10:30 Vsevolod I. Razumovskiy (Materials Center Leoben Forschung, Austria): Thermodynamic and kinetic properties of paramagnetic iron and steel: Spin Wave method and Disordered Local Moment model calculations

10:35 Coffee

11:00-12:00 Fritz Körmann (MPI für Eisenforschung GmbH, Düsseldorf, Germany): Phase stabilities of metals and steels - The impact of magnetic excitations from first-principles

12:30 Lunch

Magnetic and lattice excitations II

14:00-15:00 Isao Tanaka (Kyoto University, Japan): Phase transition by first principles lattice dynamics calculations

15:15 Coffee

15:45-16:45 G. Malcolm Stocks (Oak Ridge National Laboratory, USA): Towards Combined Spin and Molecular Dynamics of Iron and its Alloys: What does it take and what can we do?

17:00-18:00 Pui-Wai Ma (Culham Centre for Fusion Energy, Oxfordshire, UK): Magnetic dynamics and thermodynamics of iron and iron-based alloys

18:15 Flash poster session

18:30 Dinner

20:00 Poster session

Tuesday, October 28th

Theory meets experiment

08:00 Breakfast

08:45-09:45 Ingrid Mertig (MPI für Mikrostrukturphysik, Halle, Germany): Magnetoelectric coupling at multiferroic interfaces

10:00-10:30 Mojmir Sob (Masaryk University, Brno, Czech Republic): Effect of segregation of sp-impurities on surface and grain boundary magnetism in nickel, cobalt and iron: Theory and experiment

10:35 Coffee

11:00-12:00 Veronique Pierron-Bohnes (IPCM Strasbourg, France): Coupling of magnetism and structure in metals and alloys

12:30 Lunch

Coarse-grained methods

14:00-15:00 Hakim Amara (ONERA-CNRS, Chatillon, France): Tight-binding model for transition metal carbides

15:15-15:45 Ralf Drautz (ICAMS, Ruhr-Universitat Bochum, Germany): Magnetic analytic Bond-Order Potentials: Application to Fe, Mn and Fe-C 

15:50 Coffee

16:10-16:40 Matous Mrovec (Institut für Werkstoffmechanik, Freiburg, Germany): DFT-free simulations of extended defects in iron using magnetic bond order potential: Advantages and limitations of coarse graining

16:45-17:45 Christian Elsässer (Institut für Werkstoffmechanik, Freiburg, Germany): Search for substitutes of magnetic materials containing critical elements by high-throughput screening and multi-scale modelling approaches

18:00-18:30 Levente Vitos (KTH Stockholm, Sweden): Going beyond SFE in alloy steel design

18:30 Dinner

20:00 Discussions in Witches Room

Wednesday, October 29th

Methodological developments I

08:00 Breakfast

08:45-09:45 Mikhail I. Katsnelson (Radboud University Nijmegen, The Netherlands): Exchange interactions and itinerant-electron magnetism

10:00-10:30 Ivan Bleskov (MPI für Eisenforschung GmbH, Düsseldorf, Germany): Impact of local magnetism on stacking fault energies: An ab initio investigation for fcc iron

10:35 Coffee

11:00-12:00 Julie B. Staunton (University of Warwick, UK): First principles theory of magnetism at finite temperature in iron alloys: fluctuating local moments, itinerant electrons and metamagnetism

12:30 Lunch

13:15 Excursion

18:30 Dinner

Magnetocaloric materials

20:00-21:00 Peter Entel (Universität Duisburg-Essen, Germany): Exotic magnetic behavior of Heusler alloys: From spin and strain glasses to metamagnetic phase transitions

21:15-21:45 Mikhail Zagrebin (Chelyabinsk State University, Chelyabinsk, Russia): First principles investigation of structural and magnetic properties of Fe-Ni-Mn-Al Heusler alloys

Thursday, October 30th

Point defects and diffusion

08:00 Breakfast

08:45-09:45 Chu-Chun Fu (CEA Saclay, France): Impact of magnetic frustrations on defect properties in Fe-Cr alloys

10:00-10:30 Sergiy V. Divinski (University of Münster, Germany): Bulk and short-circuit diffusion in α-Fe: effect of magnetic transition

10:35 Coffee

11:00-12:00 Frederic Soisson (CEA Saclay, France): Impact of magnetism on the kinetics of precipitation and segregation in ironchromium alloys: A Monte Carlo simulation

12:30 Lunch

14:00-15:00 Marcel H.F. Sluiter (Delft University of Technology, The Netherlands): Modelling diffusion of substitutional impurities in bcc Fe

15:15 Coffee

The iron-carbon system

15:45-16:45 Andrei Ruban (Royal Institute of Technology, Stockholm, Sweden): Martensitic transformation in steels and carbon ordering: a first-principles-based atomistic modeling

17:00-17:30 Yuri N. Gornostyrev (Inst. Quantum materials Science, Ekaterinburg, Russia): The key role of magnetism in a scenario of phase transformations in steel

17:35-18:05 Xie Zhang (MPI für Eisenforschung GmbH, Düsseldorf, Germany): Atomistic origin of structural modulations in Fe ultra-thin films and impact for

structural transformations in Fe-C alloys

18:10 Closing remarks: Mike Finnis

18:30 Conference dinner

Friday, October 31th

08:00 Breakfast

09:00 Departure

 
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