Packing of Atoms

Lecture 5
Atomic Packing in Crystals

Packing of Polymer Materials Atomic Packing in Glasses & Ceramics

Atomic Packing in Crystals

Individual atoms can be approximates as hard spheres. Atoms pack two-dimensionally in atomic planes, which stacked one on the top of the other give crystals (3D arrangement) . In crystals and grains atoms are packed in regular, repeating, three-dimensional patterns. Almost all metals and ceramics (and some other materials) are made up entirely of small crystals or grains. The grains stick together, meeting at grain boundaries.

DoITPoMS-Close Packing

Atomic Packing in Crystals

close-packed plane: in triangular fashion, to occupy the least possible space close-packed structure: regularly repeating patterns in 3D to take up the least volume Materials choose the crystal structure that gives minimum energy!

A-B-A-B-A-B Hexagonal close packing

A-B-C-A-B-C Cubic close packing

Atomic Packing in Crystals

The simplest repeating unit in a crystal is called a unit cell. Opposite faces of a unit cell are parallel. The edge of the unit cell connects equivalent points. Lattice parameters : length of the cell edges (a,b,c) the angles between them (,,)

Miller Indices
Miller Indices is a set of numbers which uniquely identify the plane or surface. They quantify the intercepts with the edges of the unit cell. three integers (lmn) = reciprocals of the fractional intercepts (a, b, c) 1

lmn 1 , 1 , 1
a b c

1, , 1 1 1 Reciprocals: , , 1
Intercepts: Miller Indices:

100

More Miller Indices

1,1, 1 1 1 , , 1 1 110

1,1,1 1 1 1 , , 1 1 1 111

1 ,1, 2 1 1 1 , , 1 1 2 210

Lattice Systems
There are 7 lattice systems (14 different unit cells) triclinic hexagonal rhombohedral monoclinic (simple and base-centered) tetragonal (simple and body-centered) cubic (simple, body-centered (bcc) and face-centered (fcc)) orthorhombic (simple, base-centered, body-centered and face-centered)

Atomic Packing in Polymers

Due to their size, it is impossible for polymers to pack in completely organised structures. Covalent bond in the chain (backbone), van der Waals & hydrogen bonds between chains. Polymers chains are mostly arranged randomly (amorphous). Parts of the polymer chains may fold symmetrically and form crystalline domains. Covalent bonds may form between individual chains crosslinking (fixed structure)

Polymer Bonds

cross-linked epoxy resin

covalent and van der Waals bonds in rubber

LDPE

Atomic Packing in Glasses & Ceramics

(Inorganic) Glasses are mixtures of oxides, with silica (SiO2) as a major ingredient. Amorphous packing: no long-range order no planes lots of empty spaces/vacancies

Ceramics are normally to be crystalline materials. Most ceramics are polycrystalline materials, with abrupt changes in crystal orientation or composition across each grain in the structure.