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BEGIN:VEVENT
DTSTAMP:20260506T165627Z
DTSTART;VALUE=DATE-TIME:20230116T130000
DTEND;VALUE=DATE-TIME:20230116T140000
SUMMARY:WCPM: Tilmann Hickel (Federal Institute for Materials Research an
 d Testing\, Berlin)
TZID:Europe/London
UID:20230116-8a1785d78558938301857783ae6e0da2@warwick.ac.uk
CREATED:20230113T113810Z
DESCRIPTION:Design of finite temperature materials properties enabled by 
 innovative digital concepts Since the function of materials is controlle
 d by properties and processes on the atomic scale\, ab initio based high
 -throughput methods are valuable strategies in materials design. For com
 putational efficiency\, they are however often restriction to T=0K calcu
 lations\, while many technologically relevant materials properties and t
 hermodynamic stabilities change when going from low to high temperatures
 . On the other hand\, the constantly increasing performance of digital t
 ools for simulation and data-driven science enables more targeted materi
 al development including these kinds of finite-temperature effects. A fl
 exible infrastructure\, including data management and workflow solutions
  is required to make this symbiosis user-friendly efficient. Within this
  presentation\, examples from ab initio thermodynamics for the design of
  phase stabilities in hard-magnetic alloys and defect-phases in advanced
  high-strength steels will be demonstrated. We will discuss physical con
 cepts with a focus at the impact of magnetic excitations. At the same ti
 me\, the examples will be used to derive requirements and present soluti
 ons for a digital infrastructure. An outlook will be given to current st
 rategies with the NFDI initiative NFDI-MatWerk. Join online
LOCATION:A2.05 / Teams
URL:/fac/sci/wcpm/seminars/?calendarItem=8a17841a852
 b469b018535178ccf239b
ATTACH:/fac/sci/wcpm/seminars/?calendarItem=8a17841a
 852b469b018535178ccf239b
CATEGORIES:WCPM
LAST-MODIFIED:20230113T113810Z
ORGANIZER;CN=Eren Delaney:
END:VEVENT
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