Leili Gharaee

Research

Leili’s graduate studies were concerned with intrinsic and extrinsic defects in dilute transition metal alloys and their effect on mechanical properties. Most of this work involved density functional theory calculations.

Education

• 2017: Doctorate in Physics; Chalmers University of Technology
  First principles study of tungsten-based alloys: From defect thermodynamics to phase diagrams

• 2015: Licentiate in Physics; Chalmers University of Technology
  Defect properties in dilute tungsten alloys from first-principles calculations

• 2010: M.Sc. in Solid State Physics; Payam-E-Noor University, Tehran, Iran
  Layer-dependent Optical Absorption Spectrum in Disordered Semiconductor Multilayers

• 2005: B.Sc. in Applied Physics; Ferdowsi University, Mashhad, Iran

Publications

• Structurally driven asymmetric miscibility in the phase diagram of W–Ti Permalink
  M. Ångqvist, J. M. Rahm, L. Gharaee, and P. Erhart
  Physical Review Materials 3, 30597 (2019)
• Mechanism of Re precipitation in irradiated W-Re alloys from kinetic Monte Carlo simulations Permalink
  C. Huang, L. Gharaee, Y. Zhao, P. Erhart, and J. Marian
  Physical Review B 96, 094108 (2017)
• Finite-temperature properties of nonmagnetic transition metals: Comparison of the performance of constraint-based semilocal and nonlocal functionals Permalink
  L. Gharaee, P. Erhart, and P. Hyldgaard
  Physical Review B 95, 085147 (2017)
• The role of interstitial binding in radiation induced segregation in W-Re alloys Permalink
  L. Gharaee, J. Marian, and P. Erhart
  Journal of Applied Physics 120, 025901 (2016)
• A first-principles investigation of interstitial defects in dilute tungsten alloys Permalink
  L. Gharaee and P. Erhart
  Journal of Nuclear Materials 467, 448 (2015)

Theses

• First principles study of tungsten-based alloys: From defect thermodynamics to phase diagrams Permalink
  L. Gharaee, Doctoral Thesis (2017)
• Defect properties in dilute tungsten alloys from first-principles calculations Permalink
  L. Gharaee, Licentiate Thesis (2015)