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10.26】Prof. Graeme Ackland
Topic:Modelling of phase ...
 
2012-10-10 | 文章来源:外事办        【 】【打印】【关闭

Topic:Modelling of phase stability in dynamically unstable crystals

Speaker:Prof. Graeme Ackland

     Head of the Institute for Condensed Matter, University of Edinburgh, UK

Time:15:00-17:00 PM., Fri., Oct. 26, 2012

Venue: Room 403, R&D Center, IMR CAS

Welcome to attend!

Abstract:

Many high temperature crystals, such as bcc titanium and B2 NiTi, are dynamically unstable. This means that at zero temperature the symmetric crystal positions do not represent a minimum of the energy. Any calculation of phonons will show that some have imaginary frequencies, so called "soft modes". Despite these instabilities, crystallography shows that the materials do form these structures at high temperature. There have been many attempts to calculate the finite temperature soft mode frequency and the free energy of dynamically unstable materials. I will outline these methods in the context of density functional theory calculations and discuss some applications to various alloys.

报告人简历

B.A. First Class honours in Physics. Jesus College, Oxford (1981-1984)

D.Phil. Theoretical Physics. Supervisor: M.W.Finnis. Oxford and AERE Harwell (1984-1987)

Research Consultant at Harwell Laboratory (October-December, 1987)

Postdoctoral Researcher, Materials Science, University of Pennsylvania, USA (1988-1989)

Lecturer in Department of Physics, University of Edinburgh, UK (1990-1991).

Royal Society of Edinburgh Research Fellow, University of Edinburgh, UK (1992-1994)

Lecturer in Department of Physics, University of Edinburgh, UK (1995-1999)

Reader in Department of Physics, University of Edinburgh, UK (2000-2001)

Fulbright Distinguished Scholar, Princeton and Rutgers, USA (2001-2002)

Professor of Computer Simulation, University of Edinburgh, UK (2003-)

Head of Condensed Matter Physics, University of Edinburgh, UK (2006-)

Prof. Graeme Ackland currently works mainly on the fusion materials, high pressure crystallography, and martensitic phase transition in connection with shape memory effect, using molecular dynamics and first-principles methods. He has published more than 147 refereed papers with over 4000 citations (h-index=33). Please visit webpage http://homepages.ed.ac.uk/graeme/ for more about Prof. Ackland.

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