Structure of Metals

Chapter I The Structure of Metals
Lattice A lattice is an infinite array of evenly spaced points which are all similarly situated. Each points are regarded as similarly situated in the rest of the lattice appears the same, and in the same orientation when viewed form them. (J.F. Nye, Physical Properties of Crystals)
3D
Chapter I The Structure of Metals-- Ideal Crystal

An ideal crystal is defined to be a body in which the
atoms are arranged in a lattice. That is: (a) the atomic arrangement appears the same, and in the same orientation, when viewed from all the lattice points (b). Lattice + Basis = crystal structure (c) the form and orientation of the lattice in an ideal crystal is independent of which point in the crystal is chosen as origin. (d) an ideal crystal is infinite in extent; real crystals are not only bounded, but also depart from the ideal crystals by possessing occasional imperfections (e) Continuity
Chapter I The Structure of Metals-- Unit Cell
Primitive unit cell: A parallelepiped having lattice points at its corners only The primitive unit cell is not unique (such A, B, C. In 3-D, like simple cubic structure) A unit cell containing only one lattice point Multiply primitive unit cell
A unit cell which has lattice points at the centers of its faces, or at its body center, or occasionally at other positions, in addition to the points at its corners (like FCC, BCC, E, D, F etc.)
Unit cell choices
In crystal, 1. The symmetrical arrangement of atoms can be described formally in terms of elements of symmetry. 2. A symmetry operation moves or transforms an object in such a way that after transformation it coincides with itself.
Reflection Symmetry
Mirror line (image line) (2D) Mirror plane (image plane) (3D)

Translational symmetry lattice translation vector: a, b, and c lattice points translation : =u1a+u2b+u3c u: arbitrary integer R = R+ for a ideal lattice frame (ideal crystal ) Continuity
J.F. Nye, Physical Properties of Crystals
Ideal crystal Real crystal
Discontinuity
Rotational symmetry:
2- fold
3- fold
4- fold
6- fold
5-fold ??
??

in a cubic unit cell
4 triad rotation axes 3 tetrad rotation axes
6 diad rotation axes
Cubic Tetragonal
Orthorhombic
Monoclinic Triclinic Hexagonal Trigonal
The atom pattern which is repeated over and over again to produce a crystal is known as the unit cell. This unit cell builds up in all directions to form a space lattice
http://www.ul.ie/~walshem/fyp/unit%20cell%20bup.htm#Basic unit cell forming a space lattice.
Unit cell and Body-centered cubic

BCC unit cell
lattice
http://members.tripod.com/~EppE/jpgs/bodcubic.jpgs www.parc.xerox.com/.../ comparison_of_cubic_packing.htm
Two atoms per unit cell Coordination number 8 (# of adjacent atoms)
Unit cell and Body-centered cubic

The unit cell of the bcc structure consists of a
cube with an atom at each corner and an atom in the center of the cube Typical metals with a bcc unit cell are Molybdenum, Tungsten and iron ( i.e. iron at room temperature) (please find two more.) Close-pack direction: diagonal direction passing through the centered atom, cornered atom and the atom at opposite corner
Octahedral interstices in BCC: Octahedral interstices are bounded by 6 atoms whose centers join up to make an octahedron (a 8-sided figures); you can find 18 oct. inter. sites in a BCC unit cell (6 at face center, the other 12 locate at edges.)
tetrahedral interstices in BCC: tetrahedral interstices are bounded by 4 atoms whose centers join up to make an tetrahedron (a 4-sided figures); you can find 24 tera. inter. sites in a BCC unit cell (there are four tetrahedral sites on each of 6 BCC faces)
MATTER-Introduction to point defects
Difference in size: Tetrahedral interstice > Octahedral interstice
Unit cell and Face-centered cubic
www.parc.xerox.com/.../ comparison_of_cubic_packing.htm
Four atoms per unit cell Coordination number 12 (# of adjacent atoms)
Unit cell and Face-centered cubic FCC unit cell consists of a cubic structure with an atom at every corner of the cube and an atom at the center of each of the six faces. Typical examples of metals with an F.C.C unit cell include Aluminum, Silver, Gold, Nickel and iron (i.e. iron at high temperatures). (please find two more) Features of F.C.C metals are ductile and good electrical conductors.
Octahedral interstices in FCC: Octahedral interstices are bounded by 6 atoms whose centers join up to make an octahedron (a 8-sided figures); you can find 13 oct. inter. sites in a FCC unit cell (one at center of the unit cell, the other 12 locate at edges.)
Tetrahedral interstices in FCC: tetrahedral interstices are bounded by 4 atoms whose centers join up to make an tetrahedron (a 4-sided figures); you can find 8 tetra. inter. sites in a FCC unit cell Diagonal passes through
the center of the tetrahedral site
FCC BCC
Difference in size:Octahedral interstice > Tetrahedral interstice

(BCC: Tetra. size > Octa. Size)
Home work: Draw an tetrahedron in a FCC unit cell and index the four planes on the tetrahedron (problem 1.6 in Reed-Hill) Calculate the packing density (efficiency) of FCC , BCC and SC
Packing efficiency= Voccupied / Vunit cell
Unit cell and Face Centered Cubic Close-pack plane and close-pack direction The close-packed planes in FCC are the {111} set, and the close-packed directions are the [110] set.
By moving each atom off the corner of a FCC unit cell on e.g., [001] plane, you can see four independent slip planes in the unit cell respectively.
Arizona state university
Unit cell and Face Centered Cubic Close-pack plane
{200}
{111}
Less close-pack plane
Close-pack plane
Unit cell and Close-packed hexagonal (HCP, or C.P.H.) This arrangement provides a close packing system of atoms as illustrated. 6 atoms per unit cell, coordination No. is 12 Zinc, Magnesium, etc
four-axis coordinate system

Magnesium (Discovered 1808)
Atomic number 12 Atomic weight 24.305 Periodic table group An alkalineearth metal A simple substance is light metals of silver white Hexagonal closed pack structure lattice constant a=0.32094nm c=0.52103nm c/a=1.6235 Melting point 650 Boiling point 1107 Specific gravity 1.741 Young's modulus 42000MPa Stiffness 16000MPa (Poisson s ratio 0.38) line coefficient of expansion 26.9410-6/(20200) Heat conduction rate 1.55J/cm sec (Al 2.88J/cm sec )

Adopted example, magnesium alloy
Digital-camera EXILIM EX-S3 made by CASIO

Magnesium alloy- Notebook computer
4-digit Miller indices for C.P.H. planes and directions

C1
three axes (a1, a2, a3) along close-packed direction on basal plane
a3 -a1 -a2
-C1
the fourth axis is normal to basal plane, called C axis a2 the unit of measurement along a axis is a, along c axis is c
a1
-a3
Axial Ratios in Close-packed-hexagonal Metals
Metal c/a
Be 1.568
Mg 1.624
Zn 1.856
Cd 1.886
Ti 1.60

C1
Basal plane
(u v w t)=(a1 a2 a3 c) (a/ , a/ , a/ , c/1c) -a1
a3
-a2
-C1
a2 unit of measurement for each axis a1 -a3 the intersection
(0001)
Prism planes of type I

E F
C1
Plane ABCD (u v w t)=(a1 a2 a3 c) (a/-a, a/a, a/ , c/ )
A B
a3
H D C
-a1
-a2
unit of measurement for each axis a2 the intersection
-C1
a1 EFGH?
-a3
(1100) Prism planes of type I = {1100}
Prism planes of type II

F
C1
Plane ABCD (u v w t)=(a1 a2 a3 c) (a/a, a/a, a/-0.5a, c/ )
C a3 B E -a2 D A a1
-C1
-a1
unit of measurement for each axis a2 the intersection
-a3
Prism planes of type II = {1120}
(1120)
Pyramidal planes
C1
Type I, order I (ABD): (1011) Type I, order II (ABC): (1012) Type II, order I (AED) :(1121) Type II, order II (AEC): (1122) -a1
D a3 C
-a2 A a1
-C1
E -a3
a2
(u, v, w, t)=(a1, a2, a3, t) a1+a2=-a3
Four-digit Miller indices of directions for CPH

C=[0001], plane normal of basal plane Diagonal axes, type I (e.g., a1 ?) [u v w t]=[a1 a2 a3 c], u+v= -w still holds for determining direction Looking on basal plane
Any component along a1?
Four-digit Miller indices of directions for CPH

Diagonal axes, type II (e.g., A1 ?) Diagonal axes, type II (e.g., A1) perpendicular to type I a2
Any component along a2?

A1
Three-digit Miller indices of directions and planes for CPH
Interstitial sites--size and shape FCC BCC
Atoms just fit in the interstitial site, the unit cell
not being distorted or expended In real cases, interstitial atoms (C, N, O...) larger than the site, leading to symmetric or nonsymmetric expansion in the lattice
the maximum sized sphere that could be placed in the voids
J.D. Verhoeven, Found. of Phys. Metall. p. 10
R: radius of atom r: radius of maximum interstice size
www.caton.org/images/ chem/TableP.gif
Lattice being distorted because of the interstitial atoms
excess strain due to squeezed-in interstitial atom symmetrical or nonsymmetrical expansion ?
For close-packed crystal structures
2 a 2
regular polyhedron
2 a 2
For close-packed crystal structures (regular polyhedron)
some of the tetrahedral voids in FCC
some of the tetrahedral voids in CPH
some of the octahedral voids in FCC
Interstitial sites in BCC crystal structure

a
Octa.
tetra. a
3 a 2
J.D. Verhoeven, Found. of Phys. Metall. p. 10
R: radius of atom r: radius of maximum interstice size
FCC
. AD = 2(R+r) and AB = 2R=ADcos45. 2R=2Rcos45+2rcos45 and r/R=(1-cos45)/cos45=0.414

Home work
According to the above sketches in the relation between unit cell length (a) and atomic radius(R), please show that: (1) the tetrahedral site in BCC is 0.291 R; (2) the octahedral site in FCC is 0.414R.
Chapter I The Structure of MetalsClosed-Packing sequence
2-D packing
not close-packed
60o
close-packed
e.g., (111) of FCC (0001) basal planes of CPH
Chapter I The Structure of Metals Closed-Packing sequence
A A B A B A B A B A B A B A A B C A C C A C
Two alternative A stackings on top (or bottom) of A C A C A C
3-D packing
B sites C sites
C.R. Brooks, ASM (1982)
C.R. Brooks, ASM (1982)
FCC : ABCABC..
CPH : ABAB..
Prof. L.H. Chen, class note, p. 71, NCKU

Summary: The FCC{111} planes look like the CPH {0001}. The HCP system is formed by taking the given hexagonal array and stacking the next layer so that it fits in one of the holes of the first layer. The third layer then is placed so that its atoms line up with those of the first layer, with the sequence ABABAB being repeated. The FCC system starts the same as the HCP but the third layer, rather than lining up with the atoms of the first layer, instead lines up with the other holes in the first layer. The fourth layer then lines up with the atoms of the first layer, with sequence ABCABCABC.
Polycrystal vs. Single crystal
http://www.techfak.uni-kiel.de/matwis/amat/elmat_en/kap_5/backbone/r5_1_2.html
Polycrystal vs. Single crystal Polycrystal--internal boundaries within crystal General requirements A. Chemical discontinuity--leading to internal
boundaries separating phases of different composition (or different composition and structure) B. Structural (crystal orientational) discontinuity-leading to internal boundaries between crystals of the same phase, resulting from orientation difference
Meet either A or B
Polycrystal

A. Chemical discontinuity
Al Mg Zn Fe Mn

B. Structural (crystal orientational) discontinuity low angel boundary
tilt bound.
twist bound.
Swalin, Thermo. Of Solids, Fig. 10.14, 15, 17
high angle boundary
grain size:27.6m
grain size:12.2m
Grain, grain size and grain boundary (magnesium alloy)

grain size:3.6m

ND<0002> RD<1120> TD<1010>
Anisotropy
Basal Plane (0002)
Crystal arrangement of mass production materials
Anisotropic microstructures (e.g.. 5083 aluminum alloy)

Anisotropy
100m
100m
100m
Chapter I The Structure of Metals The Stereographic Projection
Points A, B projected to different locations, depending on projection method
1 Gnomonic 2 Stereographic 3 Orthographic

the relationship between planes and directions angles between the poles on the projections are always the true angles between the normals of the planes ----only Stereo. Projection meet the requirement To determine angles between planes and directions
Verhoeven, Fig. 1.15
2-D drawing of 3-D crystallographic features
Imaging the plane passing thru the center of a hemisphere
Project the intersection of the plane and hemisphere onto project plane
http://www.telusplanet.net/public/nstuart/proj.gif
A lattice plane (3D) can be represented in projection paper (2-D) by the normal of the lattice plane and (or) the trace of the plane on ref. sphere
http://www.stmarys.ca/academic/science/geology/structural/stereoalt.html

Plane(passing through the center of the sphere) plane normal Intersection with ref. hemisphere
Project the Poles and traces to project plane (equatorial plane)
n: plane normal of (h k l)
P: pole of (h k l) P Trace of (h k l); a great circle (hkl)
Great circle : a circle of maximum diameter, if the plane passes through the center of the sphere Small circle : A plane not passes through the center of the sphere will intersect the sphere in a small circle On a ruled globe (see next page), the longitude lines (meridians)--Great circles; the latitude lines (except equator) -small circles
Wulff Net (stereographic projection)
2o intervals
Gnomonic Stereographic Orthographic
Pole of (h k l) (h k l) plane
Kelly and Groves, Fig. 2.2
Chapter I The Structure of Metals Stereographic projection
Fig. 2-28, Cullity
Stereographic Projection
Reed-Hill, Fig. 1.22, p. 20.
directions that lie in a plane
Planes of a zone Those planes that mutually intersect along a common direction forms the planes of a zone. The line of the intersection by those plane of the same zone is called the zone axis. The direction of the zone axis is perpendicular to each normal of the planes in the same zone.
Planes of a zone
zone axis [111]
Reed-Hill, Fig. 1.25
zone axis [111]
A plane can be represented by its pole. The direction of the zone axis is perpendicular to each normal of the planes in the same zone.
Angle between planes and Wulff Net--How to determine the angle between planes or directions by means of a 2-D stereographic projection
A A B C
All meridians (longitude lines), including the basic circle, are great circles. The equator is a great circle. All other latitude lines are small circles. Angular between points representing directions in space can be measured on the Wulff net only in the points are made to coincide with a great circle of the net.
Angle between 2 planes
Chapter I The Structure of Metals --Traces of P1 and P2

Structure of Metals

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Structure of Metals

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Chapter I The Structure of Metals

Chapter I The Structure of Metals-- Ideal Crystal

Chapter I The Structure of Metals-- Unit Cell

Unit cell choices

Chapter I The Structure of Metals-- Unit Cell

Ideal crystal Real crystal

Chapter I The Structure of Metals-- Unit Cell

Chapter I The Structure of Metals-- Unit Cell

Chapter I The Structure of Metals-- Unit Cell

4 triad rotation axes 3 tetrad rotation axes

6 diad rotation axes

Chapter I The Structure of Metals-- Unit Cell

Monoclinic Triclinic Hexagonal Trigonal

Chapter I The Structure of Metals-- Unit Cell

http://www.ul.ie/~walshem/fyp/unit%20cell%20bup.htm#Basic unit cell forming a space lattice.

Chapter I The Structure of Metals

Unit cell and Body-centered cubic

Two atoms per unit cell Coordination number 8 (# of adjacent atoms)

Chapter I The Structure of Metals

Unit cell and Body-centered cubic

Chapter I The Structure of Metals

Chapter I The Structure of Metals

MATTER-Introduction to point defects

Chapter I The Structure of Metals

MATTER-Introduction to point defects

Difference in size: Tetrahedral interstice > Octahedral interstice

Chapter I The Structure of Metals

Unit cell and Face-centered cubic

Four atoms per unit cell Coordination number 12 (# of adjacent atoms)

Chapter I The Structure of Metals

Chapter I The Structure of Metals

MATTER-Introduction to point defects

MATTER-Introduction to point defects

Chapter I The Structure of Metals

MATTER-Introduction to point defects

MATTER-Introduction to point defects

Chapter I The Structure of Metals

Difference in size:Octahedral interstice > Tetrahedral interstice

Chapter I The Structure of Metals

Chapter I The Structure of Metals

Chapter I The Structure of Metals

Unit cell and Face Centered Cubic Close-pack plane

Less close-pack plane

Chapter I The Structure of Metals

Chapter I The Structure of Metals

Chapter I The Structure of Metals

Digital-camera EXILIM EX-S3 made by CASIO

Chapter I The Structure of Metals

Chapter I The Structure of Metals

4-digit Miller indices for C.P.H. planes and directions

Chapter I The Structure of Metals

Axial Ratios in Close-packed-hexagonal Metals

Chapter I The Structure of Metals

a2 unit of measurement for each axis a1 -a3 the intersection

Chapter I The Structure of Metals

Prism planes of type I

Plane ABCD (u v w t)=(a1 a2 a3 c) (a/-a, a/a, a/ , c/ )

unit of measurement for each axis a2 the intersection

(1100) Prism planes of type I = {1100}

Chapter I The Structure of Metals

Prism planes of type II

Plane ABCD (u v w t)=(a1 a2 a3 c) (a/a, a/a, a/-0.5a, c/ )