Donald W. Brenner

activity

20142026

most citedMachine Learned Interatomic Potentials for Ternary Carbides trained on the AFLOW Database

19 citations · 35 across the 8 of their papers we have counts for

collaborators

Showing 2015Show all

2 papers · 1 filter

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.str-el2015★ 6 cited

Interplay of electronic structure and unusual development in crystal structure of YbAuIn and Yb $_{3}$ AuGe $_{2}$ In $_{3}$

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…

Reflecting (on) the Nucleation Curve: Negative Surface Energy Stabilizes Nickel Ferrite Nano-Particles in Nuclear Reactor Coolant

Interplay of electronic structure and unusual development in crystal structure of YbAuIn and Yb3​AuGe2​In3​

Interplay of electronic structure and unusual development in crystal structure of YbAuIn and Yb $_{3}$ AuGe $_{2}$ In $_{3}$