ReaxFF reactive force field for the Y-doped BaZrO3 proton conductor with applications to diffusion rates for multigranular systems.
D001464:Barium / Q000737:chemistry*; D004058:Diffusion; D011211:Electric Power Supplies; D008956:Models, Chemical; D010100:Oxygen / Q000737:chemistry*; D011522:Protons; D011789:Quantum Theory; D013696:Temperature; D015019:Yttrium / Q000737:chemistry*; D015040:Zirconium / Q000737:chemistry*
D011522:Protons; D001464:Barium; D015019:Yttrium; D015040:Zirconium; D010100:Oxygen