Keyphrases
ReaxFF Reactive Force Field
100%
Solid Oxide Fuel Cell
100%
ReaxFF
100%
Yttria-stabilized Zirconia
100%
Solid Oxide Fuel Cell System
100%
Oxygen-ion Transport
100%
First-principles
50%
Principles-based
50%
Molecular Dynamics Simulation
25%
High Temperature
25%
Transport Processes
25%
Yttria-stabilized Zirconia Electrolyte
25%
Fuel Cell Applications
25%
Quantum Mechanical Calculations
25%
Condensed Phase
25%
Fuel Cell Membrane
25%
Phase System
25%
Oxygen Ions
25%
Ion Diffusion Coefficient
25%
Material Effect
25%
Cluster System
25%
Material Modification
25%
In-silico Optimization
25%
Physics
Fuel Cell
100%
Field Theory (Physics)
100%
Oxygen Ion
100%
Yttria-Stabilized Zirconia
100%
First Principle
33%
Molecular Dynamics
16%
Quantum Mechanical Calculations
16%
Diffusion Coefficient
16%
Transport Process
16%
Material Science
Oxide Compound
100%
Yttria Stabilized Zirconia
100%
Cell Membrane
20%
Diffusivity
20%
Chemical Engineering
Yttrium Oxide
100%
Diffusion
25%
Fuel Cell Membrane
25%
Catalyst Temperature
25%