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ChE 553 Lecture 2

ChE 553 Lecture 2 . Surface Notation. Objectives. Learn Notation To Describe the Structure Of Surfaces Bravis Lattices: BCC, FCC, HCP Miller Indicies: (111), (100), (110) Woods Notation: (2x2), (7x7). Introduction to Surface Structure.

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First Principles Thermodynamics in Nanomaterials: Applications to Surfaces L. Liborio

First Principles Thermodynamics in Nanomaterials: Applications to Surfaces L. Liborio Computational Materials Science Group. electrostatic interaction. exchange and correlation. nuclei potential. kinetic energy. If E xc [ ?] were known, the exact ground state could be found.?.

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Surface reconstructions - PowerPoint PPT Presentation

ChE 553 Lecture 2

First Principles Thermodynamics in Nanomaterials: Applications to Surfaces L. Liborio