CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

CRYSTALLINE MATERIALS
Dr Julia Stegemann Chadwick Building, GM15 Telephone: 020 7679 7370 E-mail: j.stegemann@ucl.ac.uk
Jan-06-1

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Aims
To understand the basic characteristics and structure of crystalline materials, and their relationships with material properties.

Jan-06-2

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Packing

Non dense, random packing

Energy typical neighbor bond length

typical neighbor bond energy

Dense, regular packing

Energy typical neighbor bond length

typical neighbor bond energy

Callister (2003)

Jan-06-3

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Packing
Crystalline materials... atoms pack in ordered 3D arrays typical of: metals many ceramics some polymers Amorphous (noncrystalline) materials... atoms are disordered

crystalline SiO2

noncrystalline SiO2
Callister (2003)
Jan-06-4

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Unit Cells
the smallest repeating volume in a crystal 3 common unit cells in crystalline materials are: Body-centred cubic unit cell (BCC) Face-centred cubic unit cell (FCC) Hexagonal close-packed unit cell (HCP)

Jan-06-5

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Co-ordination Number
= the number of nearest neighbour atoms

Atomic Packing Factor (APF)

= the fraction of the unit cell occupied by atoms APF = volume of atoms in the unit cell unit cell volume

Jan-06-6

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Simple Cubic (SC) Unit Cell

Poor packing rare (only Po)

Callister (2003)

Coordination number = 6
Jan-06-7

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Simple Cubic (SC) Unit Cell

Number of atoms in unit cell 1 =8x 8 =1 a R=0.5a Volume per atom = 4 R3 where R = 1 a 2 3 Volume of cell
Callister (2003)

= a3 APF = 0.52
Jan-06-8

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Body-Centred Cubic (BCC) Unit Cell

Callister (2003)

Examples of BCC materials include: Fe, W, Mo

Jan-06-9

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Face-Centred Cubic (FCC) Unit Cell

Callister (2003)

Examples of FCC materials include: Cu, Al, Ni, Ag, Au

Jan-06-10

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Hexagonal Close-Packed (HCP) Unit Cell

Coordination number = 12 APF = 0.74

Callister (2003)

Examples of HCP materials include: Cd, Mg, Ti, Be

Jan-06-11

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Crystal Density, =
where n A Vc NA nA VcNA

= number of atoms in unit cell = atomic weight (g/mole) = unit cell volume = Avogadros number = 6.023 x 1023 atoms/mole
Jan-06-12

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

SLIP SYSTEMS
In single crystals there are preferred planes where dislocations move, or slip planes. In a slip plane, there are preferred crystallographic directions for dislocation movement, i.e., slip directions. The set of slip planes and directions are known as slip systems. The slip planes and directions are those of highest packing density. The planes are further apart than the atoms within them, and are therefore able to slip more easily relative to one another. Since BCC and FCC crystals have more slip systems as than HCP crystals, there are more ways for dislocation to propagate. Therefore BCC and FCC materials are more ductile than HCP materials.

Jan-06-13

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

ILLUSTRATION OF AN FCC SLIP PLANE AND SLIP DIRECTIONS

Jan-06-14

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Crystallographic Directions
1. Vector passes through origin 2. Length of projection on each axis expressed as unit cell dimensions, in square brackets 3. Negative indices have bar.

Callister (2003)
Jan-06-15

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Miller Indices
Miller Indices are a way of representing the orientation of an atomic plane in a crystal lattice and are defined as the reciprocals of the fractional intercepts which the plane makes with the crystallographic axes.

Jan-06-16

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Determination of Miller Indices (hkl):

1. Plane intersects or is parallel to axes of unit cell 2. Point of intersection with each axis is expressed as number of cell dimensions from unit cell origin 3. For plane parallel to axis, intersection = 4. This yields 3 lengths. Miller indices = reciprocals of these lengths, in parentheses.

Callister (2003)
Jan-06-17

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Other planes

Callister (2003)
Jan-06-18

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Linear density (LD)

1-D density along line through crystal structure LD = length of line occupied by atoms length of line

Jan-06-19

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Planar density (PD)

2-D density across a plane through crystal structure PD = area of atoms in plane plane area

Jan-06-20

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CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Crystal Structure
Body-centred cubic Face-centred cubic Hexagonal close-packed

Number of slip systems

12 12 3

FCC metals are soft at all temperatures BCC metals brittle at low T (slip planes not close packed) HCP metals tend to be brittle (few slip planes)

Jan-06-21

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

POLYCRYSTALS AND OTHER DEFECTS

Jan-06-22

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CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Polycrystals
most engineering materials are polycrystals crystal sizes range from 1 nm to 2 cm single crystals in a polycrystalline material are known as grains.
1 mm

Nb-Hf-W plate with an electron beam weld (Callister, 2003) Jan-06-23

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Microscopic View of Progressive Crystallisation of Unit Cells t1 t2

Callister (2003)

t3

t4

Jan-06-24

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CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Single vs Polycrystals
Single Crystals
E (diagonal) = 273 GPa

properties vary with direction: anisotropy e.g., modulus of elasticity, E, in BCC iron:
E (edge) = 125 GPa
200 mm

Polycrystals
isotropic, if grains are random e.g., Epolycrystalline iron = 210 GPa

Callister (2003)

anisotropic, if grains are directionally oriented, i.e., textured

Jan-06-25

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Dislocations
linear (1-D) defect in crystalline solids. 3 types: edge screw mixed

Jan-06-26

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CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Edge Dislocation

Callister (2003)
Jan-06-27

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

An edge dislocation comprises an extra half plane of atoms within the crystal lattice. Above the line of the edge dislocation, the bonds between the crystal atoms are in compression. Below the line of the edge dislocation the bonds are in tension. This tension and compression distortion of the lattice decreases with distance from the dislocation line. The Burgers vector denotes the magnitude of the distortion of the crystal lattice and indicates the direction in which slip can occur. For an edge dislocation, the direction of the Burgers vector is perpendicular to the dislocation line.
Jan-06-28

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CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Screw Dislocation:
upper region is sheared relative to the lower region

Callister (2003)

A view from above shows the windings of the screw

Jan-06-29

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Mixed Dislocation

Callister (2003)
Jan-06-30

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CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Point Defects
Vacancy

distortion of planes

distortion of planes

selfinterstitial
Callister (2003)
Jan-06-31

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Solid Solution

Callister (2003)

Substitutional (e.g., alloy of Cu in Ni)

Interstitial alloy (e.g., alloy of C in Fe)

Jan-06-32

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CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Learning Outcomes
To be able to describe the structure of single crystal and polycrystalline materials To be able to calculate atomic packing factor, linear and planar density To be able to describe directions and planes in crystal structures using vectors and Miller indices To be able to describe the nature of defects and dislocations in crystal structures

Jan-06-33

CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

Recommended Reading
Domone, P.L. & Illston, J.M. (2001), Eds., Construction Materials: Their Nature and Behaviour, 3rd edition, Spon Press, London.
Chapters 8. Physical Metallurgy

Chapters 3/ The Structure of Crystalline Solids 4.1-4.5/ Imperfections in Solids 7.1-7.4/ Dislocations and Slip Systems

Callister, W.D. (2003), Materials Science and Engineering: An Introduction, 6th edition, John Wiley and Sons, Inc. (includes CD-ROM)

Jan-06-34

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CIVIL & ENVIRONMENTAL ENGINEERING E207 PROPERTIES OF MATERIALS

On-Line Learning Exercise

Introduction to Dislocations http://www.doitpoms.ac.uk/tlplib/dislocations/

Jan-06-35

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