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BEGIN:VEVENT
UID:DSC-10256
DTSTART;TZID=Europe/Berlin:20151117T100000
SEQUENCE:1447745867
TRANSP:OPAQUE
DTEND;TZID=Europe/Berlin:20151117T110000
URL:https://dresden-science-calendar.de/calendar/en/detail/10256
LOCATION:IFW\, Helmholtzstraße 2001069 Dresden
SUMMARY:Razumovskiy: Thermodynamic and kinetic properties of paramagnetic i
 ron and steel: Spin Wave method and disordered local moment model calculat
 ions
CLASS:PUBLIC
DESCRIPTION:Speaker: Dr.  Vsevolod Razumovskiy\nInstitute of Speaker: Mater
 ials Center Leoben Forschung GmbH\, Austria\nTopics:\nMaterialien\, Physik
 \n Location:\n  Name: IFW (B3E.26\, IFW Dresden)\n  Street: Helmholtzstra
 ße 20\n  City: 01069 Dresden\n  Phone: \n  Fax: \nDescription: The Spin W
 ave method for the total energy of paramagnetic state represents an altern
 ative to the existing methods for modeling magnetic disorder in Density Fu
 nctional Theory calculations. One of the main advantages of the method is 
 its applicability to defect calculations of pure metals and alloys. A comb
 ination of the SW-method and the supercell approach provides one with a co
 nvenient way of ab initio calculations of a number of thermodynamic and ki
 netic properties using methods based on Hamiltonian formalism like the PAW
  method as implemented in VASP. The Hamiltonian-based VASP-PAW-SW and Gree
 n’s function-based EMTO-DLM methods have been used to calculate basic th
 ermodynamic properties of paramagnetic iron. The accuracy and efficiency o
 f both methods has been assessed by comparing the obtained results to avai
 lable experimental and theoretical data. .
DTSTAMP:20260626T173715Z
CREATED:20151105T075954Z
LAST-MODIFIED:20151117T073747Z
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