48 citations · 48 across the 1 of their papers we have counts for
4 papers
Structurally driven asymmetric miscibility in the phase diagram of W-Ti
Mattias Ångqvist, J. Magnus Rahm, Leili Gharaee +1
Phase diagrams for multi-component systems represent crucial information for understanding and designing materials but are very time consuming to assess experimentally. Computation…
Mechanism of Re precipitation in irradiated W-Re alloys from kinetic Monte Carlo simulations
Chen-Hsi Huang, Leili Gharaee, Yue Zhao +2
High-temperature, high-dose, neutron irradiation of W results in the formation of Re-rich clusters at concentrations one order of magnitude lower than the thermodynamic solubility…
Finite-temperature properties of non-magnetic transition metals: Comparison of the performance of constraint-based semi and nonlocal functionals
Leili Gharaee, Paul Erhart, Per Hyldgaard
We assess the performance of nonempirical, truly nonlocal and semi-local functionals with regard to structural and thermal properties of , , and non-magnetic transitio…
The role of interstitial binding in radiation induced segregation in W-Re alloys
Leili Gharaee, Jaime Marian, Paul Erhart
Due to their high strength and advantageous high-temperature properties, tungsten-based alloys are being considered as plasma-facing candidate materials in fusion devices. Under ne…