Plenary Lecture by Patrice E. A. Turchi (Lawrence Livermore National Laboratory)
Wednesday, September 28th, 2016, 2:00 p.m. - 2:30 p.m., Audimax, TU Darmstadt
Ab initio methodologies provide, in spite of their own limitations that will be briefly commented on, fundamental insight on various materials characteristics. This will be illustrated in the case of chemical-order trends and thermodynamic properties with ab initio-based predictions.
In addition, ab initio output plays an important role in supplementing in two ways CALPHAD that is the most versatile and preferred method for assessing the thermodynamics of complex multi-component alloys: either by direct input of ab initio energetics in thermodynamic databases, or, more challenging, by assessing ab initio-based thermodynamics à la CALPHAD. These two applications will be discussed in the context of phase diagram determination for selected transition metal and actinidebased alloys. Finally a few comments on future prospects in the alloy theory field, of critical importance for advancing materials design, will conclude this presentation.
Work performed under the auspices of the U.S. DOE by LLNL under Contract DEAC52-07NA27344.
Topics: ab initio calculations, ground-state properties, thermodynamics, multicomponent alloy
For more information on our plenary lectures please visit our website https://www.mse-congress.de/congress/plenary-speakers/. If you wish to register as a media representative and get free access to MSE 2016 please contact us directly at presse@dgm.de.
Further plenary lectures include:
Peter Greil (University of Erlangen-Nuernberg, Department of Materials Science (Glass and Ceramics), Erlangen, Germany):Biomorphous Ceramics
Tuesday, September 27th, 2016, 10:00 a.m. - 10:30 a.m.
Jörg F. Löffler (Laboratory of Metal Physics and Technology, Department of Materials, ETH Zurich, Switzerland): Metallic biomaterials for absorbable implant applications
Tuesday, September 27th, 2016, 1:45 p.m. - 2:15 p.m.
Yuri Estrin (Department of Materials Science and Engineering, Monash University, Clayton, Australia): Ultrafine grained metallic materials for permanent and bioresorbable medical implants
Wednesday, September 28th, 2016, 8:30 a.m. - 9:00 a.m.
Laurent Pambaguian (Engineer in the Materials Technology Section of the European Space Agency, Netherlands): Additive Manufacturing for space industry
Wednesday, September 28th, 2016, 6:15 p.m. - 6:45 p.m.
Christoph Bartneck (HIT Lab NZ, University of Canterbury, Christchurch, New Zealand): Material Challenges in Human Robot Interaction
Thursday, September 29th, 2016, 8:30 a.m. - 9:00 a.m.
Cesar A. Barbero (Department of Chemistry, Universidad Nacional de Rio Cuarto, Rio Cuarto, Argentina): Smart Polymeric Nanocomposites and Polymer Alloys. Synthesis and Applications
Thursday, September 29th, 2016, 2:00 p.m. - 2:30 p.m.
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