Engineering Materials MECH 220

Dr. Polychronopoulou kyriaki

Lecture 4 Sep. 15th 2013

Chapter 3 -

Groups for the assignments????? By the end of this week (X, Y, Z) x11

Chapter 3 - 2

From previous Lecture-Chapter 2..(bonding in solids)

Chapter 3 - 3

Metallic Bonding
Primary bonds for metals and alloys

The valence electrons the metal move freely metal and form a electron cloud. The electrons are called conduction electrons negative charge)
The remaining electrons and atom nuclei form s.c. ion cores. (net positive charge)

of in the + + + + + - s.c. - - + + + + + - - - + + + + + - - - (net + + + + +

Electron cloud

Ion cores

The free electrons make metals good thermal and electrical conductors
Chapter 3 -

Van der Waals Bonds

Van der Waals interaction is the principal attractive interaction in crystals of inert gases (interatomic bonds) and organic molecules (intermolecular bonds)
The VdW bonds arise because two atoms (or molecules) induce a dipole moment in each other which causes a distortion in the charge distribution and gives rise to a induced dipoldipole interaction, and electrostatic attraction
+ + Chapter 3 -

SECONDARY BONDING (Van der Waals) Weak as compared to primary bonds Low bonding energies Evident in inert gas structure where stable electrons are present. Arise from atomic or molecular dipoles

P6
Chapter 3 -

SECONDARY BONDING
Arises from interaction between dipoles Fluctuating Induced dipole bonds
asymmetric electron clouds

ex: liquid H 2 H2 H2 H H secondary bonding

+
secondary bonding

H H

Adapted from Fig. 2.13, Callister & Rethwisch 8e.

Polar molecule-Induced dipole bonds Permanent dipole bonds

Chapter 7 3-

Properties from Bonding: Tm

Chapter 3 -

Properties from Bonding:

The coefficient of thermal expansion describes how the size of an object changes with a change in temperature.

Why? (what larger a means???

Chapter 3 -

Properties from Bonding:

Chapter 3 -

Chapter 3: The Structure of Crystalline Solids

ISSUES TO ADDRESS...

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

Chapter 3 -

Chapter 3 - 12

http://www.diamondpeak.com/images/home_diamond_4cs.jpg

http://worldscheaper.com/wpcontent/uploads/2011/02/diamondcrystal-structure.gif

Chapter 3 - 13

Jade (stone) is found in two forms Nephrite (Mg, Ca) and Jadeite (Na, Al) (metamorphic stones). The appearance is quite similar and both are silicates but the chemical composition is different. Jade has a monoclinic crystal structure.

Ca2(Mg,Fe)5Si6O22(OH)
Chapter 3 - 14

ENERGY AND PACKING

Dense, regular packing

Non dense, random packing

Dense, regular-packed structures tend to have lower energy

Chapter 3 -

Materials and Packing

Terminology
Crystalline materials... atoms pack in periodic, 3D arrays typical of: -metals -many ceramics -some polymers Noncrystalline materials... atoms have no periodic packing occurs for: -complex structures -rapid cooling WHY?? "Amorphous" = Noncrystalline
noncrystalline SiO2
Adapted from Fig. 3.23(b), Callister & Rethwisch 8e.

crystalline SiO2
Adapted from Fig. 3.23(a), Callister & Rethwisch 8e.

Si

Oxygen

Chapter 3 - 16

Chapter 3 - 17

SOME DEFINITIONS
Lattice: 3D array of regularly spaced points Crystalline material: atoms situated in a repeating 3D periodic array over large atomic distances Amorphous material: material with no such order Hard sphere representation: atoms denoted by hard, touching spheres Reduced sphere representation Unit cell: basic building block unit (such as a flooring tile) that repeats in space to create the crystal structure; it is usually a parallelepiped or prism
Chapter 3 -

Metallic Crystal Structures

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

vs.

Chapter 3 - 19

Metallic Crystal Structures

Tend to be densely packed. Reasons for dense packing (in Metals):
- Typically, only one element is present, so all atomic radii are the same (easier to be arranged to orderly form). - Metallic bonding is not directional (order in each direction same) - Nearest neighbor distances tend to be small in order to lower bond energy. - Electron cloud shields cores from each other (leading to ????)

Have the simplest crystal structures.

Chapter 3 - 20

Unit cell?

Chapter 3 - 21

Unit Cell: smallest repeating unit that constitutes a pattern/structure

Chapter 3 - 22

Unit Cell: smallest repeating units that constitutes a pattern/structure

A unit cell is chosen to represent the symmetry of the crystal structure

Chapter 3 - 23

CRYSTAL SYSTEMS

Based on shape of unit cell ignoring actual atomic locations Unit cell = 3-dimensional unit that repeats in space Unit cell geometry completely specified by a, b, c & a, b, g (lattice parameters or lattice constants) Seven possible combinations of a, b, c & a, b, g, resulting in seven crystal systems
Chapter 3 -

(1) (2)

(3)
Symmetry??? (4) (5)

(6)

(7)
Chapter 3 - 25

CRYSTAL SYSTEMS

Chapter 3 -

Simple Cubic Structure (SC)

Rare due to low packing density (only Po (polonium) has this
structure) not listed in textbook!

Close-packed directions are cube edges.

(Courtesy P.M. Anderson)

Chapter 3 - 27

ATOMIC PACKING FACTOR

Fill a box with hard spheres
Packing factor = total volume of spheres in box / volume of box

In crystalline materials:
Atomic packing factor = total volume of atoms in unit cell / volume of unit cell (as unit cell repeats in space)

Chapter 3 -

Atomic Packing Factor (APF)

APF =
Volume of atoms in unit cell* Volume of unit cell

*assume hard spheres APF for a simple cubic structure = 0.52 atoms unit cell volume atom (0.5a) 3

4 3

R=0.5a
close-packed directions contains 8 x 1/8 = 1 atom/unit cell
Adapted from Fig. 3.24, Callister & Rethwisch 8e.

APF =

a3

Ra

volume unit cell

Chapter 3 - 29

Face Centered Cubic Structure (FCC)

Atoms touch each other along face diagonals.
--Note: All atoms are identical.

Adapted from Fig. 3.1, Callister & Rethwisch 8e.

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

Chapter 3 - 30

Atomic Packing Factor: FCC (Example 3.1)

APF for a face-centered cubic structure = 0.74 maximum achievable APF Close-packed directions: a = 2R 2 Why??? Unit cell contains: 6 x 1/2 + 8 x 1/8 = 4 atoms/unit cell atoms 4 volume atom volume unit cell
Chapter 3 - 31

2a

a
Adapted from Fig. 3.1(a), Callister & Rethwisch 8e.

4 unit cell 3 APF = APF = 0.74

R3 a3

Helpful Schematic for Example 3.1

Volume of atoms in unit cell* APF = Volume of unit cell

a2+a2=(4R)2
Chapter 3 - 32

Body Centered Cubic Structure (BCC)

Atoms at each corner and at center of cubic unit cell.
--Note: All atoms are identical; the center atom is shaded differently only for ease of viewing.

Adapted from Fig. 3.2, Callister & Rethwisch 8e. (Courtesy P.M. Anderson)

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

Chapter 3 - 33

ATOMIC PACKING FACTOR: BCC

R
Adapted from Fig. 3.2, Callister 6e.

Unit cell c ontains: 1 + 8 x 1/8 = 2 atoms/unit cell

APF for a body-centered cubic structure = p3/8 = 0.68

Chapter 3 -

Structure of Ceramics
Ionic compounds often have similar closepacked structures

Chapter 3 -

Hexagonal Closed Pack (HCP)

Coordination number: 12 APF for HCP crystal are: 0.74 (same as FCC!)

Chapter 3 - 36