Lecture_2

## CRYSTAL STRUCTURES

### Lecture Overview
- Course: Mechanics of Materials (4MA00)
- Institution: Eindhoven University of Technology (TU/e)

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## LENGTH SCALES
- Hierarchical scale of sizes:
- 10-18 - 10-15: Electron, proton, neutron
- 10-12: Atom
- 10-9: Crystals
- Up to 100: Products and larger structures

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## FROM ATOMS TO SOLID
- Exploration of how atoms assemble into solid structures, focusing on metals.
- **Density Dependence**: Material density relies on atomic arrangement and packing efficiency.
- **Directions and Planes**: Importance of indicating specific directions and planes in atomic structures.

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## PACKING SPHERES
- Discussion of atomic packing and arrangement in solids.

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## ATOMIC MODELS
- Historical Models:
- **Bohr model** and **Quantum mechanical model** previously discussed.
- Current model:
- Atoms are considered as spheres (Atomic hard sphere model).
- Nearest neighbors in contact, influencing bonding and structure.

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## STRUCTURE OF MATERIALS
- **Molecular Materials**:
- Comprised of covalently bonded atoms.
- Interactions: Van der Waals forces.
- **Non-Molecular Materials**:
- **Metals**: Examples include Fe, Al, Au.
- **Ceramics**: Examples include Al2O3, NaCl.
- Other forms include water, gases, and polymers (CnHm).

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## ATOMIC PACKING
- Short Range Order: Atoms with similar structures in close vicinity.
- Long Range Order:
- **Amorphous Materials**: Randomly structured, lacking long-range order but may have short-range order (e.g., glass).
- **Crystalline Materials**: Atoms organized in 3D periodic arrays.
- Common in metals, ceramics, and semi-crystalline polymers.

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## ENERGY AND PACKING
- Packing influences energy levels:
- Dense, regular structures typically exhibit lower energy states.
- Factors include bond lengths and energies associated with atomic arrangements.

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## EXAMPLE: SELF-ORGANIZATION IN CRYSTALLINE STRUCTURE
- Illustration of atomic arrangements and forces at play in crystal formation.
- Key equation of motion illustrated: mv = Σ F.

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## METALLIC CRYSTALS
- Characteristics:
- Metals typically exhibit simple crystal structures and are densely packed.
- Reasons for this packing include uniform atomic radii and non-directional metallic bonding.

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## CRYSTALS
- Defined by long-range order and translation symmetry.
- Examples of symmetry in patterns comparable to M.C. Escher's artworks.

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## SYMMETRY IN CRYSTALS
- Types of symmetry: Square, Rectangular, Centered Rectangular, Hexagonal, Oblique.

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## UNIT CELL GEOMETRY
- Key parameters:
- Edge lengths (a, b, c) and angles (α, β, γ) define unit cells.
- Unit cell acts as the building block through repetition in crystal structure.

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## CRYSTAL LATTICE
- Fundamental design:
- Unit cell as a repetitive volume.
- Lattice describes the arrangement of atoms within the crystal framework.

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## SIMPLE CUBIC STRUCTURE (SC)
- Characteristics:
- Cubic unit cell with a = b = c and angles α = β = γ = 90°.
- Atom locations: Corners of the unit cell;
- Rare due to inefficient packing.
- Coordination number = 6 (nearest neighbors).

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## ATOMIC PACKING FACTOR (APF) FOR SC
- Definition:
- APF = Volume of atoms in unit cell / Volume of unit cell.

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## BODY CENTERED CUBIC (BCC)
- Coordination number = 8.
- Atom positions at corners and center of the unit cell.
- Close packed directions along cube diagonals.

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## ATOMIC PACKING FACTOR: BCC
- Similar analysis as SC, with different arrangements.

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## FACE CENTERED CUBIC (FCC)
- Coordination number = 12.
- Atom positions: Corners and centers of faces of the unit cell.
- Close packed directions along face diagonals.

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## ATOMIC PACKING FACTOR: FCC
- Presented using density calculations and geometry of the atomic arrangement.

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## HEXAGONAL CLOSE PACKED (HCP)
- Characteristics:
- Specific properties of HCP structures discussed including packing factors and coordination numbers.

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## COMPARISON OF CRYSTAL STRUCTURES
| Structure | Unit Cell | Atoms per Unit Cell | Coordination Number | Atomic Packing Factor |
|-----------|-----------|---------------------|---------------------|-----------------------|
| BCC | Cubic | 2 | 8 | N/A |
| FCC | Cubic | 4 | 12 | 0.74 |
| HCP | Hexagonal | 6 | 12 | 0.74 |

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## CANNON BALL STACKING EXAMPLE
- Analysis on stacking arrangements of spheres and proofs related to packing efficiency (Kepler conjecture).

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## CRYSTAL STRUCTURES EXAMPLES
- Specific examples related to various metals and their crystalline structures:
- FCC: Cu, Al, Ag, Au;
- BCC: Fe, Cr, W;
- HCP: Mg, Ti, Zn.

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## ADDITIONAL UNIT CELL GEOMETRIES
- Discussion on lattice geometries including:
- Tetragonal: Example - Tin, TiO2.
- Orthorhombic: Examples with practical implications.
- Monoclinic and Triclinic structures with specific material examples.

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## POLYMORPHISM AND ALLOTROPY
- Explanation of materials existing in multiple crystal structures:
- Allotropic forms in iron parameterized by temperature and structural changes.

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## THEORETICAL DENSITY EXPLANATION
- Worked example of density calculation for Copper FCC:
- Mass density = Atomic weight / Crystal structure volume calculations.

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## VOLUME DENSITY and PLANAR DENSITY
- Describes relationships and calculations pertaining to material density based on atomic arrangements.

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## CLOSE PACKING SUMMARY
- Overview of close packing strategies between FCC and HCP, including stacking sequences and importance in deformation mechanisms.

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## PLANES AND DIRECTIONS IN CRYSTALLINE ARRANGEMENTS
- Discussions on how to denote crystallographic points, directions and planes utilizing Miller indices.

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## MILLER INDICES
- Explanation and systematic approach to indexing specific planes (hkl) and directions (uvw) within crystal lattices.

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## CRYSTALLOGRAPHIC PLANES & DIRECTIONS
- Detailed examples using cubic and hexagonal lattices to explain crystallographic coordination.

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## SINGLE CRYSTAL VS. POLYCRYSTAL
- Contrasting structural attributes and mechanical behaviors of single crystal and polycrystalline materials.

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## POLYCRYSTALS
- Characteristics and typical sizes observed in engineering materials.

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## SINGLE CRYSTALS & EXAMPLES
- Specific examples highlighting unique properties and applications of materials like diamond and turbine blades in engineering.

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## OTHER ORDERED ATOMIC STRUCTURES
- Overview of modern materials like graphene and carbon nanotubes, their structures, and properties.

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## STUDY GUIDE
- Reference to Callister textbook for relevant sections and exercises for further study in preparation for assessments.
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