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BEGIN:VEVENT
DTSTAMP:20260310T131827Z
DTSTART;VALUE=DATE-TIME:20180312T130000
DTEND;VALUE=DATE-TIME:20180312T140000
SUMMARY:Laura de Sousa Oliveira (Warwick Engineering)
TZID:Europe/London
UID:20180312-8a17841a6012ba7a01606a7aa3d0620f@warwick.ac.uk
CREATED:20171218T163510Z
DESCRIPTION:Atomistic modelling of phonon transport in advanced materials
  Heat transfer is ubiquitous in both naturally occurring and engineered 
 materials. In the last few decades\, progress has been linked to the abi
 lity to manipulate and control materials at increasingly smaller length-
  and time-scales. It follows that an atomistic-level understanding of th
 ermal transport is often essential in predicting and controlling heat tr
 ansport in materials and devices. In the work presented\, equilibrium cl
 assical molecular dynamics and density functional theory are used to inv
 estigate phonon transport in defect laden nuclear materials (graphite an
 d UO2) and Si\, and in flexible metal–organic frameworks. Finally\, I wi
 ll discuss a new approach to quantify — on-the-fly — the uncertainty on 
 transport properties computed using equilibrium molecular dynamics (i.e.
  with the Green–Kubo formalism). This method is based on recognizing tha
 t the integrated noise of the autocorrelation of the equilibrium fluctua
 tions grows as random walk.
LOCATION:WCPM (D2.02)
CATEGORIES:
LAST-MODIFIED:20180214T112804Z
ORGANIZER;CN=Peter Brommer:
END:VEVENT
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