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mATERIAL sC Crystal Directions and Planes

mATERIAL sC Crystal Directions and Planes

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Crystal Directions and Planes
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Crystal Directions and Planes

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Crystallographic Points, Directions, and Planes. ISSUES TO ADDRESS...

• How to define points, directions, planes, as well as linear, planar, and volume densities
– Define basic terms and give examples of each: • Points (atomic positions) • Vectors (defines a particular direction - plane normal ) • Miller Indices (defines a particular plane) • relation to diffraction • 3-index for cubic and 4-index notation for HCP

Points, Directions, and Planes in Terms of Unit Cell Vectors

v c

All periodic unit cells may be described via these vectors and angles, if and only if
• a, b, and c define axes of a 3D coordinate system. • coordinate system is Right-Handed!

v b

v a

But, we can define points, directions and planes with a “triplet” of numbers in units of a, b, and c unit cell vectors . For HCP we need a “quad” of numbers, as we shall see.

MSE 280: Introduction to Engineering Materials

©D.D. Johnson 2004, 2006-08

MSE 280: Introduction to Engineering Materials

©D.D. Johnson 2004, 2006-08

POINT Coordinates
To define a point within a unit cell…. Express the coordinates uvw as fractions of unit cell vectors a, b, and c (so that the axes x, y, and z do not have to be orthogonal). pt. coord. pt.
a

Crystallographic Directions
Procedure: 1. Any line (or vector direction) is specified by 2 points.
• b The first point is, typically, at the origin (000).

c

2.

Determine length of vector projection in each of 3 axes in units (or fractions) of a, b, and c.
• X (a), Y(b), Z(c) 1 1 0

v c
v b
origin

x (a ) 0 1 1 1/2

y ( b) 0 0 1 0

z (c) 0 0 1 1/2 4. 3.

Multiply or divide by a common factor to reduce the lengths to the smallest integer values, u v w. Enclose in square brackets: [u v w]: [110] direction.

v a

5. Designate negative numbers by a bar [ 1 1 0] • Pronounced “bar 1”, “bar 1”, “zero” direction. 6. “Family” of [110] directions is designated as <110>.

DIRECTIONS will help define PLANES (Miller Indices or plane normal ).
MSE 280: Introduction to Engineering Materials
©D.D. Johnson 2004, 2006-08

MSE 280: Introduction to Engineering Materials

©D.D. Johnson 2004, 2006-08

1

[ 1 0 0]. 2006-08 MSE 280: Introduction to Engineering Materials 2 . 2006-08 Symmetry Equivalent Directions Families and Symmetry: Cubic Symmetry z z Note: for some crystal structures.g.g. <1 0 0> Symmetry operation can generate all the directions within in a family.D. Johnson 2004. [0 0 1 ] Rotate 90 o about z-axis (010) y (100) x Rotate 90 o about y-axis y x z (001) Families of crystallographic directions e. MSE 280: Introduction to Engineering Materials ©D. For cubic crystals. 2006-08 MSE 280: Introduction to Engineering Materials ©D. Johnson 2004.Self-Assessment Example 1: What is crystallographic direction? Magnitude along X Self-Assessment Example 2: (a) What is the lattice point given by point P? c b a Along x: 1 a Along y: 1 b Along z: 1 c !112 Y (b) What is crystallographic direction for the origin to P? Z [ 1 12] DIRECTION = [1 1 1] Example 3: What lattice direction does the lattice point 264 correspond? The lattice direction [132] from the origin. [0 1 0]. different directions can be equivalent. the directions are all equivalent by symmetry: [1 0 0]. x y Similarly for other equivalent directions ©D. [0 1 0]. 2006-08 Angled brackets denote a family of crystallographic directions. MSE 280: Introduction to Engineering Materials ©D. Johnson 2004.D.D.D. [0 0 1]. Johnson 2004. e.

• Here: 1/r = 1/2 . • Example: Graphite: heat conduction is more in sp 2-bonded plane. Johnson 2004. and t in parentheses (r s t) Advantages: • r.i.e. 2006-08 3 . as opposed to directions given by [. (B) Plastic deformation * Plastic deformation in metals occurs by the slip of atoms past each other in the crystal. s.k. (C) Transport Properties * In certain materials. it is at !). 2006-08 MSE 280: Introduction to Engineering Materials ©D. and relatively slow not in the plane.D. 3. does not intersect--. • This information is used to determine the lattice parameters in a crystal.one of the axes? • Then we would say that the plane intersects that axis at ! ! • This designation is unwieldy and inconvenient. • Parentheses designate planes. 2006-08 How Do We Designate Lattice Planes? Planes intersects axes at: • a axis at r= 2 • b axis at s= 4/3 • c axis at t= 1/2 Self-Assessment Example What is the designation of this plane in Miller Index notation? How do we symbolically designate planes in a lattice? Possibility #2: THE ACCEPTED ONE 1.e. • Example: YBa 2Cu3O7 superconductors: Cu-O planes conduct pairs of electrons (Cooper pairs) responsible for superconductivity. Johnson 2004.l) in parentheses: (238) This notation is called the Miller Index. then you get 0. • With LCM = 4. but perpendicular insulating. atomic structure in some planes causes the transport of electrons and/or heat to be particularly rapid in that plane. h = 4/r = 2 .. + Some lattice planes contain only Cu and O How do we symbolically designate planes in a lattice? Possibility #1: Enclose the values of r.Designating Lattice Planes Example 1 How Do We Designate Lattice Planes? Planes intersects axes at: • a axis at r= 2 • b axis at s= 4/3 • c axis at t= 1/2 Why are planes in a lattice important? (A) Determining crystal structure * Diffraction methods measure the distance between parallel lattice planes of atoms.D. and t uniquely specify the plane in the lattice.. and l= 4/r = 8 Enclose the new triple (h.] Disadvantage: • What happens if the plane is parallel to --. * This slip tends to occur preferentially along specific crystal-dependent planes. and t. 4. MSE 280: Introduction to Engineering Materials ©D. 2006-08 MSE 280: Introduction to Engineering Materials ©D. and 1/r = 2 Find the least common multipl e that converts all reciprocals to integers.. * Diffraction methods also measure the angles between lattice planes. s. MSE 280: Introduction to Engineering Materials ©D.D.D. Johnson 2004. k= 4/s = 3 . 2. 1/s = 3/4 . * Note: All parallel planes at similar staggered distances have the same Miller index. relative to the origin. Johnson 2004. Take the reciprocal of r. s. What is the designation of the top face of the unit cell in Miller Index notation? * Note: If a plane does not intercept an axes (I.

• Importantly. Johnson 2004. Johnson 2004. 2006-08 Crystallographic Planes in FCC: (110) Crystallographic Planes in FCC: (111) z Look down this direction (perpendicular to the plane) y Distance between (110) planes d110 = a 2 2 x Distance between (111) planes d111 = a 3 3 MSE 280: Introduction to Engineering Materials ©D. Johnson 2004.Families of Lattice Planes Given any plane in a lattice. the Miller indices (hkl) is the same vector as the plane normal! MSE 280: Introduction to Engineering Materials ©D. 2006-08 4 . Johnson 2004.D. • One of the planes in any family always passes through the origin. Crystallographic Planes in FCC: (100) z The Miller indices (hkl) usually refer to the plane that is nearest to the origin without passing through it.D. • You must always shift the origin or move the plane parallel. or to the family taken together.D. 2006-08 y Distance between (100) planes d100 = a d200 = a 2 x Look down this direction (perpendicular to the plane) MSE 280: Introduction to Engineering Materials … between (200) planes ©D. otherwise a Miller index integer is 1/0! • Sometimes (hkl) will be used to refer to any other plane in the family.D. there is a infinite set of parallel lattice planes (or family of planes) that are equally spaced from each other. 2006-08 MSE 280: Introduction to Engineering Materials ©D.

MSE 280: Introduction to Engineering Materials ©D. • Symmetry about c axis makes a 3 equivalent to a1 and a2. 3 4. The unit cell is outlined in blue . 3.D. a2 –2a 3 • In 4-index notation c = [0001]. Self-Assessment Test: What is vector C? MSE 280: Introduction to Engineering Materials ©D. 2006-08 Directions in HCP Crystals 1. Johnson 2004. which must be added to get D (reduced to integers) D = [1123] B without 1/3 Check w/ Eq. a3 part of vector by 3 because you are now three times farther out!) . a and b is changed to a1 and a2. This 4-coordinate system is used: [ a 1 a2 –( a1 + a2) c] Directions in HCP Crystals: 4-index notation Example What is 4-index notation for vector D? • Projecting the vector onto the basal plane.7 Easiest to remember: Find the coordinate axes that straddle the vector of interest. because a3 = –( a1 + a2).7 or just use Eq.Comparing Different Crystallographic Planes Distance between (110) planes a a a 2 d110 = = = 2 2 12 + 12 + 0 2 Note: similar to crystallographic directions. where c-intercept is 0. Johnson 2004. a2. planes that are parallel to each other. !. and follow along those axes (but divide the a 1. 3. • Vector B = (a 1 + a 2). are equivalent -1 1 For (220) Miller Indexed planes you are getting planes at 1/2.D. • Vector addition gives a 3 = –( a1 + a2). A fourth axis is introduced (a 3) to show symmetry. 3. the vector B is 1 [112 0] since it is 3x farther out. To emphasize that they are equal. Johnson 2004. • In 4-index notation. it lies between a 1 and a2 (vector B is projection). Johnson 2004.D. 2006-08 5 . 2. 2006-08 MSE 280: Introduction to Engineering Materials ©D.D. so the direction is [110] in coordinates of [a1 a2 c]. 1/2. The (110) planes are not necessarily (220) planes! For cubic crystals: Miller Indices provide you easy measure of distance between planes. 2006-08 MSE 280: Introduction to Engineering Materials ©D.

Directions in HCP Crystals: 4-index notation Example Check w/ Eq.D. The reciprocals are 1/r = 1. We can write (h k i l ) = 1.7: a dot-product projection in hex coords. Yes…. a2 and c at r=1. s=1 and t= !. MSE 280: Introduction to Engineering Materials ©D.7 most trustworthy. 1 1 1 1 u = [2(1) ! 1] = v = [2(1) ! 1] = w = w '= 1 3 3 3 3 • In 4-index notation: 112 [ 1] 333 r s 2. Enclose 4-indices in parenthesis: (h k i l ) . They are already smallest integers. where h is associated with a1. Miller Indices for HCP Planes 4-index notation is more important for planes in HCP.D. Johnson 2004. Get reciprocals 1/r. k.we can get it without a 3! What is the Miller Index of the pink plane? 1. t. 5.(h+k) relation. 2. and !. –2. The reciprocals are 1/r = 1. • So. respectively. They are already smallest integers. and w’=1. k with a2. and 0. Already reduced integers. The plane’s intercept a1. seems just using Eq. 4. and 1/t. –1/2. respectively.(h+k). a2. 5. 1. 3. 2006-08 6 . 1/s = 1. a3 and c at r=1. 1/s = –2. i=1 . 3. a3 and c at 1. v’=1. Johnson 2004.D. and 1/t = 0. 2006-08 MSE 280: Introduction to Engineering Materials ©D. • Reciprocals are 1. 2. Johnson 2004. a2. 3. Miller Index is (12 10) (1210) But note that the 4-index notation is unique….D. • Using Eq. and l with c. 1. 4. We can write (h k i l ) = ( 1 ? 1 0). i . (12 ?0) Using i = . you will know that it is HCP. r and s. 2006-08 Miller Indices for HCP Planes Yes.Consider all 4 intercepts: • plane intercept a1. l via relation i = . respectively. • Reduce to smallest integers: [112 3] After some consideration. Convert reciprocals to smallest integers in same ratios. The plane’s intercept a1. or a3).(h+k) relation. 3. 4. Miller Index is 1. s=–1/2 and t= !. Johnson 2004. and not [110] cubic! What is 4-index notation for vector D? • Projection of the vector D in units of [a1 a 2 c] gives u’=1. 1/s. of the plane with any two of the basal plane axes ( a1. and 1/t = 0.7: 1 1 u = [2u ' !v '] v = [2v ' !u '] w = w ' 3 3 t Find Miller Indices for HCP: 1. i with a3. As soon as you see [1100]. in order to distinguish similar planes rotated by 120 o. 3. with the c axes. 2006-08 MSE 280: Introduction to Engineering Materials ©D. 5. k=–2. 3. Get h. as well as the intercept. 1. there is only 1 possible Miller Index is (12 10) MSE 280: Introduction to Engineering Materials ©D. Using i = . Find the intercepts.

a2 a3 a1 MSE 280: Introduction to Engineering Materials ©D. l = 0 MSE 280: Introduction to Engineering Materials ©D.e.D. Johnson 2004. the majority in the periodic table. We focus only on FCC. Johnson 2004. • We now know how to determine structure mathematically. and BCC. 2006-08 MSE 280: Introduction to Engineering Materials ©D. 2006-08 z (1 1 1) plane of FCC SUMMARY • Crystal Structure can be defined by space lattice and basis atoms (lattice decorations or motifs). Johnson 2004. h = k = i = 0 • Intersects at z = 1 z Another Plane in HCP plane = (0001) a2 a2 a3 a1 a3 -1 in a2 +1 in a1 (1 1 0 0) plane a1 h = 1.. a2 and a3 • So. atomic planes (Miller Indices). Johnson 2004. k = -1.D. 2006-08 7 .Basal Plane in HCP Name this plane… • Parallel to a 1. y x z (0 0 0 1) plane of HCP • Only 14 Bravais Lattices are possible. 2006-08 MSE 280: Introduction to Engineering Materials ©D.D. SAME THING!* • We now can identify and determined: atomic positions. packing along directions (LD) and in planes (PD). So how to we do it experimentally? DIFFRACTION. i = -(1+-1) = 0. HCP. i.D.

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