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SUMMARY:First-principles simulation of electronic processes due to ionic p
 rojectiles traversing matter - Professor Emilio Artacho\, University of Ca
 mbridge
DTSTART:20201111T143000Z
DTEND:20201111T153000Z
UID:TALK150481@talks.cam.ac.uk
CONTACT:Lisa Masters
DESCRIPTION:Ions shooting through matter transfer energy to the electrons 
 along its trajectory at rates of up to keV per Angstrom. This rate depends
  on the projectile velocity\, peaking when it is similar to average electr
 on velocities in the system\, typically around two to five percent of the 
 speed of light. Because of its interest to radiation damage in various con
 texts (mostly nuclear\, aerospace\, and medical)\, the problem has  been s
 tudied for over a century\, but surprisingly little is known about the mic
 roscopic processes taking place beyond what obtained from perturbative app
 roaches. The problem is strongly non-adiabatic and very strongly far from 
 equilibrium. It is also nanoscopic (around the projectile) and of quantum 
 nature. I will present our efforts in advancing our understanding of such 
 processes by means of simulations based on time-dependent density-function
 al theory in real time\, with special emphasis on the dependence on the ch
 emistry of the irradiated matter\, but also some notes on methodological a
 dvances prompted by the problem\, in particular on quantum evolution in an
  evolving Hilbert space. 
LOCATION:Zoom Meeting ID: 981 1605 6934 Passcode: 258737
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