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Summary: Materials Properties and Bonding

Ceramics
(Ionic & covalent bonding):

Large bond energy


large Tm large E small

Metals
(Metallic bonding):

Variable bond energy


moderate Tm moderate E moderate

Polymers
(Covalent & Secondary):
secon dary bond ing

Directional Properties
Secondary bonding dominates small Tm small E large

Chapter 3: The Structure of Crystalline Solids


Issues to address in this chapter:

How do atoms assemble into solid structure? (For now, focus on metals.) How does the density of a material depend on its structure? When do material properties vary with the sample (i.e., part) orientation?

Energy and Packing


Non dense, random packing
Energy typical neighbor bond length typical neighbor bond energy r Energy typical neighbor bond length typical neighbor bond energy r

Dense, ordered packing

Dense, ordered packed structures tend to have lower energies

Energy and Packing

Materials and Packing


Crystalline materials: atoms pack in periodic, 3D arrays typical of: -metals -many ceramics -some polymers

crystalline SiO2 Si Oxygen

Noncrystalline materials: atoms have no periodic packing occurs for: -complex structures -rapid cooling Amorphous = Noncrystalline
noncrystalline SiO2

Crystal Systems & Lattices


Unit cell: smallest repetitive volume which contains the complete lattice pattern of a crystal.
7 crystal systems: Smallest unit that, if stacked, makes up the whole crystal Only one atom per cell May hide symmetries 14 crystal lattices: Makes up the whole crystal if stacked, as before Smallest unit that does not hide symmetries May contain more than one atom per cell a, b, and c are the lattice constants

Crystal Systems & Lattices


Unit cell: smallest repetitive volume which contains the complete lattice pattern of a crystal.
7 crystal systems: Smallest unit that, if stacked, makes up the whole crystal Only one atom per cell exactly same no matter the May hide symmetries

A lattice looks on which atom are sitting! 14you crystal lattices :


Makes up the whole crystal if stacked, as before Smallest unit that does not hide symmetries May contain more than one atom per cell

a, b, and c are the lattice constants

7 Crystal Systems

14 Crystal Lattices

Metallic Crystal Structures


How can we stack metal atoms to minimize empty space?
2-dimensions

vs.

Now stack these 2-D layers to make 3-D structures

Metallic Crystal Structures


Metals tend to be densely packed! Reasons for dense packing:
Typically, only one element is present, so all atomic radii are the same Metallic bonding is not directional Nearest neighbor distances tend to be small in order to lower bond energy Electron cloud shields cores from each other

=> Metals usually have simple crystal structures

We will examine 4 such structures...

Simple Cubic Structure


Rare due to low packing density (only Po has this structure)
Close-packed directions are cube edges.

Coordination # = 6
(# nearest neighbors)

Simple Cubic Structure


Rare due to low packing density (only Po has this structure)
Close-packed directions are cube edges.

Atomic Packing Factor (APF)


Volume of atoms in unit cell* APF = Volume of unit cell *assume hard spheres APF for a simple cubic structure = 0.52 atoms unit cell R=0.5a
close-packed directions contains 8 x 1/8 = 1 atom/unit cell

APF =

volume atom 4 (0.5a) 3 1 3 a3 volume unit cell

We can do better!

Body Centered Cubic Structure

Body Centered Cubic Structure (BCC)


Atoms touch each other along cube diagonals
-- Note: All atoms are identical; the center atom is shaded differently only for ease of viewing

Examples: Cr, W, Fe (), Tantalum, Molybdenum

Coordination # = 8

2 atoms/unit cell: 1 center + 8 corners x 1/8

Atomic Packing Factor for BCC: 0.68


3a

a
2a

Close-packed directions: length = 4R = 3 a

atoms volume 4 3 ( 3a/4 ) 2 unit cell atom 3 APF = volume 3 a unit cell

We can do even better!

We can do even better!

Face Centered Cubic Structure (FCC)


Atoms touch each other along face diagonals.
-- Note: All atoms are identical; the face-centered atoms are shaded differently only for ease of viewing.

Examples: Al, Cu, Au, Pb, Ni, Pt, Ag Coordination # = 12

4 atoms/unit cell: 6 face x 1/2 + 8 corners x 1/8

Atomic Packing Factor for FCC: 0.74!


=> maximum achievable APF!! Close-packed directions: length = 4R = 2 a Unit cell contains: 6 x 1/2 + 8 x 1/8 = 4 atoms/unit cell atoms volume 4 3 ( 2a/4 ) 4 unit cell atom 3 APF = volume 3 a unit cell

2a

FCC Stacking Sequence


ABCABC... Stacking Sequence
2D Projection

B
A sites B sites C sites

C B

C B

B C B B

FCC Unit Cell

A B C

Hexagonal Closed-Packed Structure (HCP)


ABAB... Stacking Sequence 3D Projection A sites
c

2D Projection Top layer Middle layer Bottom layer 6 atoms/unit cell Examples: Cd, Mg, Ti, Zn

B sites A sites
a

Coordination # = 12 APF = 0.74 c/a = 1.633