UNIVERSITY OF SPLIT

FESB
Department of Mechanical Engineering Technology
Chair for Materials and Tribology

MATERIALS 1
FOR ERASMUS STUDENTS

THIS SCRIPT IS EXCUSIVELY PREPARED

FOR FESB ERASMUS STUDENTS

Reproduction is not allowed.

Dražen Živković, full professor

Materials from the following sources were used in compiling the script:
- authorized lectures,
- William D. Callister, Jr., Department of Metallurgical Engineering, The University of
Utah, “Fundamentals of Materials Science and Engineering”
- Donald R. Askeland, Pradeep P. Fulay, Wendelin J. Wright; “The Science and
Engineering of Materials”, VI Edition
- Michael F. Ashby, David R. H. Jones; „Engineering Materials 1, An Introduction to
Properties, Applications and Design“, Department of Engineering, University of
Cambridge, UK
ATOM STRUCTURE
An atom is composed of a nucleus surrounded by electrons. The nucleus contains neutrons and positively charged
protons and carries a net positive charge. The negatively charged electrons are held to the nucleus by an
electrostatic attraction.

The atomic number of an element is equal to the number of protons in each atom. Thus, an iron atom, which
contains 26 protons, has an atomic number of 26. The atom is electrically neutral because the number of protons
and electrons are equal.

Most of the mass of the atom is contained within the nucleus. The mass of each proton and neutron is 1.67 X10-24
g, but the mass of each electron is only 9.11X10-28 g. The atomic mass M, which is equal to the total mass of the
average number of protons and neutrons in the atom in atomic mass units, is also the mass in grams of the
Avogadro constant NA of atoms. The quantity NA = 6.022 X 10-23 atoms mol is the number of atoms or molecules
in a mole.

Nucleus Electrons

Atom structure
The energy level to which each electron belongs is identified by four quantum numbers. The
four quantum numbers are the principal quantum number n, the azimuthal or secondary
quantum number l.
The principal quantum number reflects the grouping of electrons into sets of energy levels
known as shells. Azimuthal quantum numbers describe the energy levels within each shell and
reflect a further grouping of similar energy levels, usually called orbitals.
According to the Pauli Exclusion Principle, within each atom, no two electrons may have the same four quantum
numbers, and thus, each electron is designated by a unique set of four quantum numbers. The number of possible
energy levels is determined by the first three quantum numbers.

1. The principal quantum number n is assigned integer values 1, 2, 3, 4, 5, . . . that refer to the quantum shell to
which the electron belongs. A quantum shell is a set of fixed energy levels to which electrons belong.
Quantum shells are also assigned a letter; the shell for n = 1 is designated K, for n = 2 is L, for n = 3 is M, and so
on. These designations were carried over from the nomenclature used in optical spectroscopy, a set of techniques
that predates the understanding of quantized electronic levels.

2. Not all electrons within a single shell are at the same energy level. Therefore, the shells are divided into
subshells. If with l denotes the number of subshells in a particular shell, and if l can take values from 0, 1, 2, etc.
to lmax = n-1, then the maximum number of electrons in each subshell is determined by the expression:

K = 2 (2l +1)
This means that there can be a maximum of 2 electrons in the zero subshell, in the first subshell 6, etc. In addition
to numbers, subshells are also denoted by the letters: s (0), p (1), d (2), f (3).

The Fe Atom
The arrangement of electrons in shells and subshells can also be written by indicating the ordinal number of the
shell in Arabic numerals, the subshells in lower case, and the number of electrons in each subshell as the
corresponding exponent. Eg. for the element iron (Fe) which has 26 electrons, the label is:

1s2 2s2p6 3s2 p6 d6 4s2

TRANSITIVE METALS
The "d" subshell has only 6 electrons out of a possible 10, nevertheless the "s" subshell of the fourth shell with
only 2 electrons has been formed.

The phenomenon of skipping electrons to a higher energy level without filling the earlier shell is found in transitive
metals.

Transitive metals tend to form chemical compounds such as carbides and nitrides (compounds with C and N). It
is assumed that carbon or nitrogen donate the excess of their electrons to iron, thus filling the "3d" sub-shell of
iron.

ATOMIC BONDING
Metal atoms in the outer path usually have only 1, 2 or 3 electrons, so-called valence electrons that can be easily
separated, leaving the atom as a positively charged ion (cation). In this way the atom tends to achieve 8 electrons
on the outer shell, which would give it the stability of inert gases. This theory holds for free atoms. In the case of
a solid metal, in which the atoms occupy firm positions with each other, the electrons in the outer shells are
sometimes arranged differently, which then changes the valence of such atoms.

There are three important mechanisms by which atoms are bonded in engineered materials. These are:

1. ionic bonds,

2. atomic bonds (covalent),

3. metallic bonds.
THE IONIC BOND

When more than one type of atom is present in a material, one atom may donate its valence electrons to a different
atom, filling the outer energy shell of the second atom. Both atoms now have filled (or emptied) outer energy
levels, but both have acquired an electrical charge and behave as ions. The atom that contributes the electrons is
left with a net positive charge and is called a cation, while the atom that accepts the electrons acquires a net
negative charge and is called an anion. The oppositely charged ions are then attracted to one another and produce
the ionic bond. For example, the attraction between sodium and chloride ions produces sodium chloride (NaCl),
or table salt.

The Ionic bond of sodium chloride (salt)

THE ATOMIC BOND (COVALENT)

Materials with atomic (covalent) bonding are characterized by bonds that are formed by sharing of valence
electrons among two or more atoms. For example, a silicon atom, which has a valence of four, obtains eight
electrons in its outer energy shell by sharing its valence electrons with four surrounding silicon atoms. Each
instance of sharing represents one covalent bond; thus, each silicon atom is bonded to four neighboring atoms by
four covalent bonds. In order for the covalent bonds to be formed, the silicon atoms must be arranged so the bonds
have a fixed directional relationship with one another. A directional relationship is formed when the bonds
between atoms in a covalently bonded material form specific angles, depending on the material. In the case of
silicon, this arrangement produces a tetrahedron, with angles of 109.5° between the covalent bonds.

The covalent bonding (a) Covalent bonding requires that electrons be shared between atoms in such a way that each
atom has its outer sp orbitals filled. (b) In silicon, with a valence of four, four covalent bonds must be
formed. (c) Covalent bonds are directional. In silicon, a tetrahedral structure is formed with angles of
109.5° required between each covalent bond.
Covalent bonds are very strong. As a result, covalently bonded materials are very strong and hard. For example,
diamond (C), silicon carbide (SiC), silicon nitride (Si3N4), and boron nitride (BN) all have covalent bonds. These
materials also exhibit very high melting points, which means they could be useful for high-temperature
applications. On the other hand, the high temperature needed for processing presents a challenge. The materials
bonded in this manner typically have limited ductility because the bonds tend to be directional.

It cannot simply predict whether a material will be high or low strength, ductile or brittle, simply based on the
nature of bonding! We need additional information on the atomic, microstructure, and macrostructure of the
material; however, the nature of bonding does point to a trend for materials with certain types of bonding and
chemical compositions.

THE METALIC BOND

The metallic elements have electropositive atoms that donate their valence electrons to form a “nebula” of
electrons surrounding the atoms. Aluminum, for example, gives up its three valence electrons, leaving behind a
core consisting of the nucleus and inner electrons. Since three negatively charged electrons are missing from this
core, it has a positive charge of three. The valence electrons move freely within the electron nebula and become
associated with several atom cores. The positively charged ion cores are held together by mutual attraction to the
electrons, thus producing a strong metallic bond.

Because their valence electrons are not fixed in any one position, most pure metals are good electrical conductors
of electricity at relatively low temperatures (T  300 K). Under the influence of an applied voltage, the valence
electrons move, causing a current to flow if the circuit is complete.

Metals show good ductility since the metallic bonds are non-directional. There are other important reasons related
to microstructure that can explain why metals exhibit lower strengths and higher ductility than what we may
anticipate from their bonding. Ductility refers to the ability of materials to be stretched or bent permanently
without breaking. In general, the melting points of metals are relatively high. From an optical properties viewpoint,
metals make good reflectors of visible radiation. Owing to their electropositive character, many metals such as
iron tend to undergo corrosion or oxidation. Many pure metals are good conductors of heat and are effectively
used in many heat transfer applications.

The metallic bond forms when atoms give up

their valence electrons, which then form an
electron sea. The positively charged atom
cores are bonded by mutual attraction to the
negatively charged electrons.
METAL STRUCTRE
Most metals and alloys, semiconductors, ceramics, and some polymers have a crystalline structure in which the
atoms or ions display long-range order (LRO); the special atomic arrangement extends over much larger length
scales   100 nm. The atoms or ions in these materials form a regular repetitive, grid-like pattern, in three
dimensions. We refer to these materials as crystalline materials.

A polycrystalline material is composed of many small crystals with

varying orientations in space. These smaller crystals are known as grains.
The borders between crystals, where the crystals are in misalignment, are
known as grain boundaries. Many crystalline materials we deal with in
engineering applications are polycrystalline (e.g., steels used in
construction, aluminum alloys for aircrafts, etc.). We will learn in
later chapters that many properties of polycrystalline materials depend upon
the physical and chemical characteristics of both grains and grain
boundaries.

The crystalline structure (lattice)

Many properties of polycrystalline materials depend

upon the physical and chemical characteristics of both
grains and grain boundaries.

A typical solid contains on the order of 1023 atoms cm3.

To communicate the spatial arrangements of atoms in
a crystal, it is clearly not necessary or practical to
specify the position of each atom.

A lattice is a collection of points, called lattice points,

which are arranged in a periodic pattern so that the
surroundings of each point in the lattice are identical.
Lattice is a purely mathematical construct and is
Micrograph of a polycrystalline stainless steel infinite in extent.
showing grains and grain boundaries (Courtesy of
Dr. A. J. Deardo, Dr. M. Huaand Dr. J. Garcia.)
The lattice parameters are the axial lengths or dimensions
of the unit cell and are denoted by convention as a, b, and c.
The angles between the axial lengths, known as the interaxial angles, are denoted by the Greek letters ,  and .
By convention,  is the angle between lengths b and c,  is the angle between a and c, and  is the angle between
a and b, as shown in Figure below. (Notice that for each combination, there is a letter a, b, and c whether it be
written in Greek or Roman letters.)

Definition of the lattice parameters and their use in cubic, orthorhombic, and hexagonal crystal systems.
In a cubic crystal system, only the length of one of the sides of the cube need be specified (it is sometimes
designated a0). The length is often given in nanometers (nm) or angstrom (Å) units, where:

THE UNIT CELLS

There are three types of unit cells.

Face Center Cubic (FCC) Body Center Cubic (BCC) Hexagonal Close Pack (CH)

NUMBER OF ATOMS PER UNIT CELL

Each unit cell contains a specific number of lattice points. When counting the number of lattice points belonging
to each unit cell, we must recognize that, like atoms, lattice points may be shared by more than one unit cell. A
lattice point at a corner of one unit cell is shared by seven adjacent unit cells (thus a total of eight cells); only one-
eighth of each corner belongs to one cell.

Each corner atom is shared by 8-unit

cells (1-4 in front, 5-8 in back)

The number of atoms per unit cell is the product of the number of atoms per lattice point and the number of lattice
points per unit cell.
 BCC – 2 (8x1/8 + 1)

FCC – 4 HCP – 6
(1x 1/8 + 6x1/2) (12x1/6 +2x1/2+3)

PACKING FACTOR (UNIT CELL DENSITY)

The packing factor or atomic packing fraction (unit cell density) is the fraction of space occupied by atoms,
assuming that the atoms are hard spheres. The general expression for the packing factor is:

The packing factor of 0,74 in the FCC unit cell is the most efficient
packing possible. BCC cells have a packing factor of 0,68. Notice that
the packing factor is independent of the radius of atoms, as long as we
assume that all atoms have a fixed radius. The maximum achievable
packing factor is This discrete geometry concept is known as
Kepler’s conjecture. Johannes Kepler proposed this conjecture in the
year 1611, and it remained an unproven conjecture until 1998 when
Thomas C. Hales proved this to be true.

Illustration of the coordination number in

BCC unit cells. Eight atoms touch each atom
in the BCC unit cell.
CRYSTALOGRAPHIC CHARACTERISTICS

A plane passing through at least three crystal nodes (ions), which do not lie in the same direction, is called a
crystallographic plane.

The family of crystallographic planes consists of

all planes parallel to the first chosen one and
passing through the corresponding centers of ion.
Each family is defined by certain numbers that we
call Miller indices.
The Miller index is the reciprocal value of a
section made by a crystallographic plane on a
spatial coordinate system laid in a cell node. The
unit scale is one parameter.

BCFE (010), ABCD (100), DCFG (001)

Marking of crystallographic planes

CRYSTALLIZATION OF PURE METALS

CRYSTALLIZATION PHENOMENA
As the metal heats up, the temperature rises and the volume increases. Ions in the crystalline lattices are not at rest
but oscillate around their middle positions by frequency about 10 THz, with displacement amplitudes up to 0.1
lattice parameters. As the temperature rises the vibration energy of the ions increases and when the cohesive forces
are exceeded, melting occurs.
The temperature change is recorded in the diagram „ temperature – time “, (T - ). Obtained cooling curve,
representing cooling rate (speed), allow analysis of some solidification phenomena. Monitoring the melting
process and temperature changes it can be noticed that the melt cools quite uniformly until the beginning of
solidification. Then there is a stagnation in the temperatures fall until the melt solidifies completely. After that the
temperature again falls evenly. During cooling - solidification that temperature is called the solidification point,
and during heating it is called the melting point. Solidification point and melting point may differ slightly due
to the influence of cooling and heating rates (thermal hysteresis).
T (oC)
Cooling Heating


Stagnation on the heating or cooling curve. When heating, the stand is called "melting point", while when
cooling the stand is called "solidification point".

The stagnation on the cooling curve occurs due to the release of the latent heat of solidification, which is inherent
for individual elements.

Nuclei Chrystal grain

Melt

Nuclei Grain boundary

Nuclei and grain grow

Lowering the liquid temperature to solidification temperature, crystallization begins. Nuclei are formed on places
of fine impurities along the cold walls of the mold or places of accidental thickening atoms which then form the
crystal lattice. The atoms oscillations amplitudes decrease, excess energy is transferred to the environment (latent
heat of solidification). The crystal grows in different directions, but it is usually observed that predominant grain
growth direction is opposite to heat dissipation. The growing crystal can break due to the circulation of the melt
into several parts around which crystallization progresses further. In the interspace between the crystals there is
remaining melt which is gradually solidifying. At the end, a solid remains with many differently oriented crystal
grains.

The crystal grains shape and size depend on the cooling rate and number of nuclei. These places are called
crystallization nuclei because they are usually fine scattered high-melting impurities. The duration of solidification
depends on the intensity of heat dissipation and varies in a wide range from a few tens of minutes for massive
castings, a few seconds for welded joints and microseconds in obtaining an amorphous metal structure. Slower
cooling rate - longer solidification.

If the rate of new nuclei formation is high during solidification, fine-grained structure will be obtained. Nucleation
begins in several places, so large grains cannot grow. Nucleation rate is characteristic of a particular metal, but
this can be influenced by addition artificial nuclei.
 polyhedral stick-like needle-like panel

The most common grain shapes

rounded edges and sharp edges

Copper bar with rounded edges and sharp edges

Shape and size of the crystal grains, in the solidified metal, can be most easily influenced by directed cooling.
Upper figure shows some cases of structure as consequence of directional heat dissipation. An unfavorable
direction of the crystal, which can be easily broken, is formed on sharp edges (which are otherwise avoided in
foundry). Rounded edge of the casting allows the formation of more favorably oriented grains.

SOLID STRUCTURE CHANGES

It can be observed that in case of some metals, when already metal solidification is finished, occurs sudden
changes in some properties at a certain temperature (volume, electrical resistance, mechanical resistance). These
changes indicate a change in the crystal lattice and are called allotropic modifications (Greek allotropos-
variable).
Metals that show such changes in solid state are: iron, tin, cobalt, nickel, manganese and titan. Their mechanical
properties can be changed in a wide range.

The appearance of allotropic modification can be monitored on the example of iron, using the cooling curve and
dilatometric curves (curve showing the dependence of elongation on temperature). The data on individual
temperatures listed in the figure may deviate slightly according to various authors. Obtaining pure iron is very
difficult and therefore temperatures are dependent about a greater or lesser proportion of impurities.

The first stop on the cooling curve is observed at a temperature of 1539 °C, which also represents solidification
point. Iron crystallizes in a body centered cubic lattice (BCC - also called delta lattice), which is changed at the
next stagnation at temperature of 1400 °C. The lattice modifies (recrystallizes) into a surface-centered cubic lattice
(FCC - also called gamma lattice). At a temperature of 910 °C the gamma lattice recrystallizes back to body
centered cube (also called alpha lattice). Furthermore, there is no change in the crystal lattice, except that at a
temperature of 768 °C the paramagnetic iron becomes magnetic. This temperature it is called the Curie point.
The figure below shows allotropic modifications of iron during the cooling process.
 Temperature (oC)

MELT

SOLID

magnetic properties change

Time (min)

Fe cooling curve, allotropic modifications

Transformation from body centered cube (BCC) in to face centered cube (FCC) and then again to body centered
cube occurs. In the temperature range from 1400 °C to 910 °C FCC has lower free energy than BCC, so the more
likely shape of the lattice is body centered cube. The gamma lattice can also be obtained at lower temperatures by
rapid cooling. But it is not FCC steady state condition and by heating or over time it turns into a BCC lattice. Only
with a significant alloying can FCC lattice be kept even at low temperatures.

Lattice modifications are easiest to follow through a change in volume, i.e. elongation of cooled wire sample of
low carbon iron. During solidification process length decreases suddenly by a few percent. Cooling the delta
lattice, the sample is continuously shortened up to temperature of modification in gamma lattice.

It is known that a face centered cube is more densely packed with atoms than
body centered cube, which means that the same number of atoms will fit in a
smaller volume. It really is coming to sudden shortening of the sample when
transform to a gamma lattice. Cooling FCC lattice the sample length is
continuously reduced up to modification temperature of the transition to BCC
lattice. During transformation FCC to BCC sample volume suddenly rises again.
Further cooling shows only a continuous reduction in sample volume.

In addition to the iron transformation, it may be mentioned that tin (Sn)

transformations show drastic change in volume and mechanical properties. White
tin, at temperature below -20 oC, turns to gray dust. This phenomenon is called
tin plague.

The sample length changing

during transformation from
FCC into BCC lattice
ALLOYS

Pure metals are rarely used, but technically pure metals are used in electrical engineering because of good
electrical conductivity (copper, aluminum) or high melting point (tungsten, molybdenum), or as anti-corrosion
materials for coating (zinc, cadmium, lead), for decorative coatings (chrome, nickel, gold, silver...).

In mechanical practice, alloys are used much more than pure metals. There are multiple reasons for that:
technically pure metals are difficult to obtain in the refined state, they are expensive, too soft, low strength,
unfavorable chemical and physical properties, often difficult to process standard processing processes.
Technically pure metals are usually those that have a maximum of 0.1% impurities. Larger amounts of impurities
are either impurities or intentionally added alloying elements, and these metals we call alloys.

PHASES IN ALLOYS

The phase is a homogeneous part of material. Material is homogeneous if physical and chemical properties in
various places are the same. In pure metal, the melt is one phase and the solid is the second phase. During
solidification process there are two phases at the same time, solid and liquid.

If the alloy contains components that are completely miscible in the melt, then the melt is a single phase. However,
components of significantly different specific mass form separate melts, which float one on top of the other
(aluminum and lead). There can also be only one type of crystal grains in a solid formed from all components or
can be separate crystals of individual components and of newly formed crystals.

Different types of crystal grains also represent different phases. In alloys there are following phases: crystals of
components, solid solutions (mixtures), crystal chemical compounds and crystal mixtures.

CRYSTAL OF COMPONENTS

Crystals of components are formed in alloys in the case that there is no solubility in the solid condition. Every
component crystallizes separately, and the material structure is a mixture of different crystals. Lead, because of
large atomic radius (1.73 angstroms), crystallizes separately in a mixture with iron (1.24), zinc (1.33), copper
(1.28) and aluminum (1.43).

SOLID SOLUTIONS

Several terms relating to impurities and solid solutions deserve mention. Regarding to alloys, solvent and solute
are terms that are commonly used. ‘‘Solvent’’ represents the element or compound that is present in the greatest
amount; on occasion, solvent atoms are also called host atoms. ‘‘Solute’’ is used to denote an element or
compound present in a minor concentration.

Solid solutions are formed in the case when the alloy consists of components whose lattices can include foreign
atoms in any proportions. Such crystal grains that have a lattice of one component and ions of other components
in it is called solid solution.

A solid solution forms when, as the solute atoms are added to the host material, the crystal structure is maintained,
and no new structures are formed. Perhaps it is useful to draw an analogy with a liquid solution. If two liquids,
soluble in each other (such as water and alcohol) are combined, a liquid solution is produced as the molecules
intermix, and its composition is homogeneous throughout. A solid solution is also compositionally homogeneous;
the impurity atoms are randomly and uniformly dispersed within the solid.

Impurity point defects are found in solid solutions, of which there are two types: substitutional and interstitial.
For substitutional, solute or impurity atoms replace or substitute for the host atoms. There are several features of
the solute and solvent atoms that determine the degree to which the former dissolves
in the latter; these are as follows:
 1. Atomic size factor. Appreciable quantities of a solute may be accommodated in this type of solid solution
only when the difference in atomic radii between the two atom types is less than about 15%. Otherwise,
the solute atoms will create substantial lattice distortions and a new phase will form.

2. Crystal structure. For appreciable solid solubility the crystal structures for metals of both atom types
must be the same.

3. Electronegativity. The more electropositive one element and the more electronegative the other, the
greater is the likelihood that they will form an intermetallic compound instead of a substitutional solid
solution.

4. Valences. Other factors being equal, a metal will have more of a tendency to dissolve another metal of
higher valency than one of a lower valency.

An example of a substitutional solid solution is found for copper and nickel. These two elements are completely
soluble in one another at all proportions. Regarding to the rules that govern degree of solubility, the atomic radii
for copper and nickel are 0.128 and 0.125 nm, respectively, both have the FCC crystal structure, and their
electronegativities are 1.9 and 1.8. Finally, the most common valences are 1 for copper (although it sometimes
can be 2) and 2 for nickel.

Cu Ni

Fe

Substitutional solid solution Cu-Ni Interstitial sold solution Fe-C

For interstitial solid solutions, impurity atoms fill the voids or interstices among the host atoms. For metallic
materials that have relatively high atomic packing factors, these interstitial positions are relatively small.
Consequently, the atomic diameter of an interstitial impurity must be substantially smaller than that
of the host atoms.

Carbon forms an interstitial solid solution when added to iron; the maximum concentration of carbon is about 2%.
The atomic radius of the carbon atom is much less than that for iron: 0.071 nm versus 0.124 nm.

The crystal chemical compounds have a type of new lattice in which the atoms of the components are located.
As the grid does not belong to any of the components in that case there is no solvent.
C
The atoms ratio within the crystal chemical compound is precisely
Fe determined and can be expressed by a chemical formula (e.g. Fe3C).
There are chemical compounds in which the atoms in new lattice are
not always in a precisely determined numerical ratio. They are called
intermetallic compound crystallites.
The lattices of the crystal chemical compound are generally
complicated and have no sliding directions and planes.

Rhombic lattice cementite (Fe3C)

If the alloy solidifies at a certain temperature (and not in one temperature interval) and so that a mixture of two or
more small crystal types is formed in the solid, that crystal mixture is called eutecticum (Greek eu - good, tehtein
- to build).

Prlit
Perlite ( - Fe, cementite - Fe3C)

IMPERFECTION IN SOLIDS

There are three groups of crystal grain imperfections:

- local imperfections (point)

- linear imperfections (dislocations)
- plain imperfections.

There are two types of local imperfections:

Distortion - is a consequence of solid solution formation (accidentally and intentionally created). Impurity atoms,
which cannot completely get out from crystal grain during the alloying process, can also participate in the structure
of mixed mixtures.

Empty places - atoms have not occupied all their corresponding places in the crystal lattice, but individual nodes
or even wider areas remain unfilled.

Empty places

Linear imperfections are areas of irregularity located between two self-arranged groups of atoms in a single
crystal grain.

There are three types of dislocations:

- edge dislocation,
- screw dislocation,
- mixed dislocation.
 Edge dislocation

Additional atom plane

Force

Edge dislocation Edge dislocation

This atoms row will separate, and the atoms will

make connections with the next row of atoms.

An extra plane of atoms, or half-plane, the edge of which

terminates within the crystal. This is termed an edge
dislocation; it is a linear defect that centers around the line
Edge that is defined along the end of the extra half-plane of atoms.
dislocation
line
This is sometimes termed the dislocation line, which, for the
edge dislocation in figure, is perpendicular to the plane of the
page.

Within the region around the dislocation line there is some localized lattice distortion. The atoms above the
dislocation line in figure are squeezed together, and those below are pulled apart; this is reflected in the slight
curvature for the vertical planes of atoms as they bend around this extra halfplane. The magnitude of this distortion
decreases with distance away from the dislocation line; at positions far removed, the crystal lattice is virtually
perfect. Sometimes the edge dislocation in figure is represented by the symbol , which also indicates the position
of the dislocation line.

Another type of dislocation, called a screw dislocation, exists, which may be thought of as being formed by a
shear stress that is applied to produce the distortion shown in figure below. The upper front region of the crystal
is shifted one atomic distance to the right relative to the bottom portion. The atomic distortion associated with a
screw dislocation is also linear and along a dislocation line, line AB in figure. The screw dislocation derives its
name from the spiral or helical path or ramp that is traced around the dislocation line by the atomic planes of
atoms. Sometimes the symbol is used to designate a screw dislocation.

The atomic distortion associated with a screw dislocation is also linear and along a dislocation line, line AB in
figure below. The screw dislocation derives its name from the spiral or helical path or ramp that is traced around
the dislocation line by the atomic planes of atoms. Sometimes the symbol is used to designate a screw dislocation
.
Dislocation line
Force

A screw dislocation

Most dislocations found in crystalline materials are probably neither pure edge nor pure screw, but exhibit
components of both types; these are termed mixed dislocations. All three dislocation types are represented
schematically in figure below. The lattice distortion that is produced away from the two faces is mixed, having
varying degrees of screw and edge character.

A mixed dislocation

Plain imperfections (Interfacial defects) are boundaries that have two dimensions and normally separate regions
of the materials that have different crystal structures and/or crystallographic orientations. These imperfections
include external surfaces, grain boundaries, twin boundaries, stacking faults, and phase boundaries.

One of the most obvious boundaries is the external surface, along which the crystal structure terminates. Surface
atoms are not bonded to the maximum number of nearest neighbors and are therefore in a higher energy state than
the atoms at interior positions. The bonds of these surface atoms that are not satisfied give rise to a surface energy,
expressed in units of energy per unit area (J/m2). To reduce this energy, materials tend to minimize, if possible,
the total surface area. For example, liquids assume a shape having a minimum area—the droplets become
spherical. Of course, this is not possible with solids, which are mechanically rigid.

The grain boundary is the boundary separating two small grains or crystals having different crystallographic
orientations in polycrystalline materials. Within the boundary region, which is probably just several atom
distances wide, there is some atomic mismatch in a transition from the crystalline orientation of one grain to that
of an adjacent one.
 Angle of
misalignment

High-angle
Grain boundary

Low-angle
Grain boundary

Angle of
misalignment

Grain boundary imperfection

Various degrees of crystallographic misalignment between adjacent grains are possible (Figure above). When this
orientation mismatch is slight, on the order of a few degrees, then the term small- (or low-) angle grain boundary
is used. These boundaries can be described in terms of dislocation arrays.

A twin boundary is a special type of grain boundary across which there is a specific mirror lattice symmetry; that
is, atoms on one side of the boundary are in mirror image positions of the atoms on the other side (Figure below).
The region of material between these boundaries is appropriately termed a twin. Twins result from atomic
displacements that are produced from applied mechanical shear forces (mechanical twins), and during annealing
heat treatments following deformation (annealing twins).
Twin plane (boundary)
Twinning occurs on a definite crystallographic plane and in a
specific direction, both of which depend on the crystal structure.
Annealing twins are typically found in metals that have the FCC
crystal structure, while mechanical twins are observed in BCC and
HCP metals.

Schematic diagram showing a twin

plane or boundary and the adjacent
atom positions