First-principles calculations of solute transport in zirconium: Vacancy-mediated diffusion with metastable states and interstitial diffusion

Physics & Astronomy

• metastable state 61%
• solutes 54%
• interstitials 51%
• drag 28%
• diffusion coefficient 24%
• diffusivity 20%
• zirconium alloys 19%
• Green's functions 18%
• methodology 18%
• close packed lattices 11%
• light water 10%
• analytic functions 10%
• power reactors 9%
• nuclear fuels 8%
• sinks 8%
• corrosion resistance 7%
• Monte Carlo method 6%
• alloying 6%
• transport properties 5%
• density functional theory 5%
• degradation 5%
• grain boundaries 5%
• damage 5%
• irradiation 4%
• causes 4%
• kinetics 4%
• matrices 4%
• radiation 4%
• predictions 4%
• metals 3%

Chemical Compounds

• Interstitial 63%
• Solute 49%
• Tight Binding Model 40%
• Diffusion Coefficient 35%
• Zirconium Alloy 31%
• Dislocation Loop 18%
• Hexagonal Space Group 15%
• Spent Fuel Radioactive Waste 13%
• Density Functional Theory 12%
• Corrosion Resistance 8%
• Error 7%
• Alloy 7%
• Metal 4%

Engineering & Materials Science

• Solute transport 100%
• Vacancies 81%
• Green's function 23%
• Zirconium alloys 19%
• Density functional theory 10%
• Water power 9%
• Monte Carlo methods 7%
• Irradiation 6%
• Grain boundaries 6%
• Probability density function 6%
• Fluxes 5%
• Radiation 5%
• Metals 4%