Structure, bonding, and adhesion at the ZrC(1 0 0)/Fe(1 1 0) interface from first principles

Engineering & Materials Science

• Adhesion 76%
• Density functional theory 61%
• Structural relaxation 36%
• Coatings 31%
• Monolayers 27%
• Interfacial energy 25%
• Protective coatings 25%
• Ferritic stainless steel 24%
• Chemical properties 23%
• Physical properties 18%
• Crack propagation 17%
• Calibration 15%
• Substrates 14%
• Mechanical properties 13%
• Steel 12%
• Experiments 7%

Chemical Compounds

• Body-Centered Cubic Crystal System 100%
• Coating Agent 21%
• Work of Adhesion 16%
• Crack Propagation 16%
• Structural Relaxation 15%
• Thickening 14%
• Density Functional Theory 14%
• Calorific Value 12%
• Interfacial Energy 11%
• Surface 11%
• Protective 9%
• Monolayer 8%
• Strain 8%
• Strength 7%
• Environment 6%
• Liquid Film 5%
• Energy 5%

Physics & Astronomy

• adhesion 70%
• density functional theory 18%
• steels 17%
• coatings 15%
• protective coatings 14%
• packing density 14%
• critical loading 13%
• crack propagation 12%
• chemical properties 12%
• atomic structure 11%
• pseudopotentials 11%
• surface energy 11%
• interactions 9%
• physical properties 9%
• mechanical properties 7%
• estimates 6%
• approximation 6%
• energy 3%