Structure and stability of Fe₃C-cementite surfaces from first principles

Physics & Astronomy

• cementite 100%
• surface energy 16%
• iron 12%
• pseudopotentials 8%
• erosion 8%
• charge transfer 7%
• melting 6%
• density functional theory 6%
• steels 6%
• carbon 5%
• gradients 5%
• atoms 4%

Engineering & Materials Science

• Interfacial energy 21%
• Iron 15%
• Density functional theory 12%
• Charge transfer 10%
• Atoms 8%
• Erosion 8%
• Melting 8%
• Relaxation 7%
• Carbon 6%
• Steel 4%

Chemical Compounds

• Surface 24%
• Interfacial Energy 16%
• Body-Centered Cubic Crystal System 10%
• Density of State 9%
• Melting 7%
• Charge Transfer 5%
• Force 5%
• Density Functional Theory 5%
• Purity 4%
• Carbon Atom 4%