29 citations · 63 across the 6 of their papers we have counts for
6 papers
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…
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.…
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…
Theoretical assessment of boron incorporation in nickel ferrite under conditions of operating nuclear pressurized water reactors (PWRs)
Zs. Rak, E. W. Bucholz, D. W. Brenner
A serious concern in the safety and economy of a pressurized water nuclear reactor is related to the accumulation of boron inside the metal oxide (mostly NiFeO spin…
Defect induced rigidity enhancement in layered semiconductors
Zs. Rak, S. D. Mahanti, K. C. Mandal +1
We discuss the mechanism responsible for the observed improvement in the structural properties of In doped GaSe, a layered material of great current interest. Formation energy calc…
Scanning tunneling microscopy study of the CeTe3 charge density wave
A. Tomic, Zs. Rak, J. P. Veazey +4
We have studied the nature of the surface charge distribution in CeTe3. This is a simple, cleavable, layered material with a robust one-dimensional incommensurate charge density wa…