29 citations · 63 across the 6 of their papers we have counts for
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cond-mat.mtrl-sci2015
Reflecting (on) the Nucleation Curve: Negative Surface Energy Stabilizes Nickel Ferrite Nano-Particles in Nuclear Reactor Coolant
C. J. O'Brien, Z. Rak, D. W. Brenner
We used a thermodynamics-informed first principles scheme, to calculate the temperature-dependent surface energies of nickel oxide (NiO) and nickel ferrite (NiFe2O4), two compounds…
cond-mat.mtrl-sci2015★ 20 cited
First-principles investigation of boron defects in nickel ferrite spinel
Zs. Rak, C. J. OBrien, D. W. Brenner
The accumulation of boron within the porous nickel ferrite (NiFe2O4, NFO) deposited on fuel rods is a major technological problem with important safety and economical implications.…
cond-mat.str-el2015★ 6 cited
Interplay of electronic structure and unusual development in crystal structure of YbAuIn and YbAuGeIn
Zs. Rak
First-principles calculations within the DFT are employed to investigate the relationship between the electronic structure and the unexpected features of the hexagonal cell paramet…