Crystal Structures R0 - 220830

5.
Crystal Structures
Engr. Aaron Joseph J. Peñano
1
Panalanging Ekumeniko ng URS
Amang banal, buong lugod po naming pinapupurihan at
niluluwalhati ang iyong pangalan kalakip ang aming pagmamahal at
pasasalamat sa inyong pagpapala at mga biyaya.
Hinihiling po namin ang iyong banal na patnubay sa University of

Rizal System at sa buong sambayanan.
Gabayan po ninyo kami upang magampanan namin ang aming mga

tungkulin na ipinagkatiwala ninyo sa amin sa diwa ng tapat na
paglilingkod.
2
Panalanging Ekumeniko ng URS
Ibuhos po ninyo sa amin ang mga biyaya upang lumago kami sa
wagas na pag-ibig sa diyos at sa aming kapwa nang sa gayon ay
manahan sa amin ang katalinuhan, katarungan, at kapayapaan
habang binabalikat namin ang aming mga gampanin.
Sa tulong ng inyong pag-ibig at kahabagan, tulungan po ninyo kami

na mapagtagumpayan ang mga pagsubok sa aming buhay habang
tinatahak namin ang landas patungo sa iyo.
Itulot po ninyo na kayo ay manatili sa aming diwa, salita, at gawa sa

tuwina.
3
5. Crystal Structures
Engr. Aaron Joseph J. Peñano
4
Outline
5.1 Brief Background on Materials Science 5.3.2 Polycrystalline Materials
5.1.1 Why Study Materials Science? 5.3.3 Determination of Crystal Structures
5.1.2 Classification of Materials 5.3.4 Noncrystalline Solids
5.1.3 Advanced Materials 5.4 Imperfections in Solids
5.2 Crystal Structures 5.4.1 Point Defects
5.2.1 Fundamental Concepts 5.4.1.1 Vacancies and Self-Interstitials
5.2.2 Unit Cells 5.4.1.2 Impurities in Solids
5.2.3 Metallic Crystal Structures 5.4.2 Miscellaneous Imperfections
5.2.4 Density Computations 5.4.2.1 Dislocations – Linear Defects
5.2.5 Polymorphism and Allotropy 5.4.2.2 Interfacial Defects
5.2.6 Crystal Systems 5.4.2.3 Bulk or Volume Defects
5.3 Crystalline and Noncrystalline Materials 5.4.2.4 Atomic Vibrations
5.3.1 Single Crystals
5
5.1 Brief Background on Materials Science1
▪ Materials Science - involves investigating the relationships that exist between
the structures and properties of materials.
▪ Materials Engineering - on the basis of the structure–property correlations,

designing or engineering the structure of a material to
produce a predetermined set of properties
6
▪ Structure - of a material usually relates to the arrangement of its internal
components
- in atomic level (smaller than microscopic–observable through
microscope), encompasses the organization of atoms or molecules
relative to one another
“macroscopic” – elements viewable by naked eye
- depends on how the material is processed
▪ Subatomic Structure - involves electrons within the individual atoms and
interactions with their nuclei
▪ Property - material trait in terms of the kind and magnitude of response to a specific
imposed stimulus
I.e. a specimen subjected to forces will experience deformation, or a
polished metal surface will reflect light
▪Performance - a function of a material’s properties
7
boundaries between small crystals scatter a boundaries between small crystals and pores/void
portion of the light reflected from the printed spaces scatter the reflected light making the
page (increasing its opacity) material opaque
single crystal
(highly perfect)
8
▪ Common Categories of the Properties of Solid Materials:
(according to type of stimulus capable of provoking different responses)
1. Mechanical - relate deformation to an applied load or force (i.e. elastic
modulus, strength)
2. Electrical - response to electric field (i.e. electrical conductivity and
dielectric constant)
3. Thermal - in terms of heat capacity and thermal conductivity
4. Magnetic - response of a material to the application of a magnetic field
5. Optical - response to electromagnetic or light radiation (i.e. index of
refraction and reflectivity)
6. Deteriorative - chemical reactivity of materials
9
5.1.1 Why Study Materials Science?1
▪ As engineers, we can be exposed to a design problem involving materials
Examples:
Transmission Gear Oil Refinery Component
Building Superstructure Integrated Circuit Chip
10
5.1.1 Why Study Materials Science?1
▪ Material Selection - most common materials problem since there are thousands available
Selection Criteria:
1. In-service Conditions - dictates the properties required of the material
For the properties, sometimes, it is necessary to trade off one character for another and
it is only on rare occasions that a material possesses the maximum or ideal combination of
properties, i.e. materials normally having high strength have limited ductility
2. Deterioration of Material Properties
- i.e. prolonged exposure to elevated temperatures or corrosive environment can cause
significant reductions in mechanical strength
3. Economics - cost of the finished product
11
5.1.2 Classification of Materials1
3 Basic Classifications of Solid Materials (according to chemical makeup and atomic structure)
1. Metals - composed of one or more metallic elements (such as Fe, Al, Cu, Ti, Au, and
Ni), and often also nonmetallic elements (i.e. C, N, and O) in
relatively small amounts
- atoms in metals and their alloys (metallic substances with 2 or more
elements) are arranged in a very orderly manner, and in comparison
to the ceramics and polymers, are relatively dense
- relatively stiff and strong, yet ductile (i.e. capable of large amounts
of deformation without fracture) and resistant to fracture
- widely used in construction
- have large numbers of nonlocalized electrons; that is, these electrons are
not bound to particular atoms making them good conductors of
electricity and heat, and also not transparent to visible light
- some have desirable magnetic properties (i.e. Fe, Co, Ni)
12
1. Metals
PTFE - Polytetrafluoroethylene
PVC - Polyvinyl chloride
PS - Polystyrene
PE - Polyethylene
GFRC - Glass Fiber Reinforced Concrete

CFRC - Carbon Fiber Reinforced Composite
13
1. Metals
14
2. Ceramics - compounds between metallic and nonmetallic elements
- most frequently oxides, nitrides, and carbides
- i.e. aluminum oxide (or alumina,Al2O3), silicon dioxide (or silica,
SiO2), silicon carbide (SiC), silicon nitride (Si3N4), traditional
ceramics (made of clay minerals, i.e. porcelain), cement, glass
- relatively stiff and strong
- typically very hard but extremely brittle (lack ductility) and highly
susceptible to fracture
- typical thermal and electrical insulators
- more resistant to high temperatures and harsh environments than
metals and polymers
- may be transparent, translucent, or opaque
- some exhibit magnetic behavior (oxide ceramics e.g., Fe3O4)
15
2. Ceramics
Stiff - rigid
- not easily bent or moved
16
2. Ceramics
Tensile Strength
-“resistance to lengthwise stress,
measured by the greatest load in
weight per unit area pulling in the
direction of length that a given
substance can bear without
tearing apart”
17
2. Ceramics
18
2. Ceramics
19
2. Ceramics
20
3. Polymers - include the familiar plastic and rubber materials
- most are organic cpds. that are chemically based on C, H, and other nonmetallic elements (O, N, Si)
- have very large molecular structures, often chain-like in nature that have a backbone of carbon atoms
- i.e. polyethylene (PE), nylon, PVC, polycarbonate (PC), polystyrene (PS), and silicone rubber
- typically have low densities
- not as stiff nor as strong as the other material types
- on the basis of their low densities, many times their stiffnesses and strengths on a per mass
basis are comparable to the metals and ceramics
- many of the polymers are extremely ductile, and pliable (i.e., plastic), which means they
are easily formed into complex shapes
- relatively inert chemically and unreactive in a large number of environments
- drawback: has tendency to soften and/or decompose at modest temperatures (limits their use)
- low electrical conductivities and are nonmagnetic
21
3. Polymers
22
*4. Composites - composed of two (or more) individual materials which comes from the 3 basic
categories
- design objective: to achieve a combination of properties that is not displayed
by any single material, and also to incorporate the best characteristics of each
of the component materials
- i.e. wood and bone (naturally-occurring composite materials)
- i.e. fiberglass - glass fibers are embedded within a polymeric material
(normally an epoxy or polyester); glass fibers - relatively strong and stiff (but
also brittle); polymer - ductile (but also weak and flexible); resulting fiberglass
is relatively stiff, strong, and has low density
23
5.1.3 Advanced Materials1
▪ Advanced Materials - utilized in high-technology applications
- used in a device or product that operates or functions using relatively
intricate and sophisticated principles (i.e. in electronic equipment,
computers, fiber-optic systems, spacecraft, aircraft, military rocketry)
- typically traditional materials whose properties have been enhanced,
and, also newly developed, high-performance materials
- may be of all material types and are normally expensive
- include semiconductors, biomaterials, “materials of the future” (smart
materials and nanoengineered materials)
24
▪ Semiconductors - have electrical properties that are intermediate between the electrical
conductors (namely, metals and metal alloys) and insulators (namely,
ceramics and polymers)
- have electrical properties which are extremely sensitive to the presence of
minute concentrations of impurity atoms, for which the concentrations may
be controlled over very small spatial regions
- have made possible the advent of integrated circuitry that has totally
revolutionized the electronics and computer industries over the past decades
25
▪ Biomaterials - employed in components implanted into the human body for replacement of
diseased or damaged body parts
- must not produce toxic substances and must be compatible with body tissues
- may be metals, ceramics, polymers, composites, and semiconductors
artificial hip replacement
26
Materials of the Future
▪ Smart Materials - aka intelligent materials
- a group of new and state-of-the-art materials now being
developed that will have significant influence on many of our
smart glass technologies
- capable of sensing changes in their environments and then
respond to these changes in predetermined manners, hence
the adjective “smart”
- with components such as sensor (detects an input signal) and
actuators (performs a responsive and adaptive function)
27
Materials of the Future
▪ Nanoengineered Materials
- materials with at least one dimension measuring 100 nm or less
- may have different physico-chemical properties than their bulk counterparts
- may be produced using top-down or bottom-up techniques
▪ Top-down Approach - very small structures are formed from larger pieces of
materials (i.e. etching to create circuits on the surface of
a silicon microchip)
▪ Bottom-up Approach - construction of atom by atom or molecule by molecule
(i.e. self-assembly through crystal growth)
28
5.2 Crystal Structures
5.2.1 Fundamental Concepts1
Some materials may be classified according to regularity with which atoms or ions are arranged
with respect to one another.
▪ Crystalline Material - atoms are situated in repeating or periodic array over large atomic distances
- long-range order exists, such that upon solidification, the atoms will
position themselves in a repetitive 3D pattern - each atom is bonded to its
nearest-neighbor atoms
▪ Noncrystalline/Amorphous Material - does not crystallize, long-range atomic order is absent
▪ Crystal Structure - the manner in which atoms, ions, or molecules are spatially arranged on which
some properties of crystalline solids depend on
29
5.2 Crystal Structures
5.2.1 Fundamental Concepts1
When describing crystalline structures, atoms (or ions) are thought as being solid spheres
having well-defined diameters.
▪ Atomic Hard Sphere Model - spheres representing nearest-neighbor atoms touch one another
Face-centered Cubic Crystal Structure
hard sphere unit cell reduced-sphere

representation unit cell an aggregate of many identical atoms
▪ Lattice - a three-dimensional array of points coinciding with atom positions (or sphere centers)
30
5.2.2 Unit Cells1
The atomic order in crystalline solids indicates that small groups of atoms form a repetitive
pattern.
▪ Unit Cells - small repeat entities into which crystal structures are subdivided to conveniently
describe them
- mostly parallelepipeds or prisms having three sets of parallel faces
- chosen to represent the symmetry of the crystal structure
- basic structural units or building blocks of the crystal structure and defines the crystal
structure by virtue of its geometry and the atom positions within
crystal lattice unit crystal
31
5.2.3 Metallic Crystal Structures1
1. Face-Centered Cubic (FCC) Crystal Structure
- has a unit cell of cubic geometry, with atoms located at each of the corners and the centers
of all the cube faces
- i.e. copper, aluminum, silver, and gold

32
1. Face-Centered Cubic (FCC) Crystal Structure
- has spheres or ion cores touching one another across a face diagonal
- has the cube edge length 𝑎 and atomic radius 𝑅 related through
𝑎 = 2𝑅 2
- each corner is shared among eight unit cells and each face-centered atom belongs to two
- total atoms per unit cell:
8 (1/8) + 6 (1/2) = 4 atoms/unit cell 𝑅
𝑎 𝑅
hard sphere unit cell

representation
33
34
▪ Coordination Number - number of nearest-neighbor or touching atoms
- i.e. FCC: 12
▪ Atomic Packing Factor - sum of the sphere volumes of all atoms within a unit cell (assuming the
atomic hard sphere model) divided by the unit cell volume
- fraction of solid sphere volume, VS in a unit cell, VC
- i.e. FCC: 0.74 - max. packing possible for spheres having same diameter
𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑎𝑡𝑜𝑚𝑠 𝑖𝑛 𝑎 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙 𝑉𝑆

𝐴𝑃𝐹 = =
𝑡𝑜𝑡𝑎𝑙 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙 𝑣𝑜𝑙𝑢𝑚𝑒 𝑉𝐶
𝑎

representation for FCC
35
2. Body-Centered Cubic (BCC) Crystal Structure
- has a unit cell of cubic geometry, with atoms located at all eight corners and a single atom at
the cube center
- i.e. chromium, iron, and tungsten

36
2. Body-Centered Cubic (BCC) Crystal Structure
- has center and corner atoms touching one another along cube diagonals
- has the unit cell length 𝑎 and atomic radius 𝑅 related through
4𝑅
𝑎=
3
- each has two atoms: 1 atom from the 8 corners and a single center atom
- total atoms per unit cell:
8 (1/8) + 1 = 2 atoms/unit cell
𝑅
- coordination number: 8
𝑎 𝑅
- APF: 0.68

representation
37
3. Hexagonal Close-Packed (HCP) Crystal Structure
- has a unit cell that is hexagonal with top and bottom faces consisting of 6 atoms that form
regular hexagons surrounding a single atom at the face centers, and also a plane (midplane)
with 3 atoms between the top and bottom planes
- i.e. cadmium, magnesium, titanium, and zinc
𝑐: long edge length
𝑎: short edge length

reduced-sphere unit cell an aggregate of many identical atoms
38
3. Hexagonal Close-Packed (HCP) Crystal Structure
- ideally, has a 𝑐/𝑎 ratio of 1.633
- each has 6 atoms: 1/6 of each of the 12 top and bottom face corner atoms, 1/2 of each of
the 2 center face atoms, and all 3 midplane interior atoms 𝑐: long
- total atoms per unit cell: edge length
6(1/6) + 6(1/6) + 2(1/2) + 3 = 6 atoms/unit cell
- coordination number: 12 (same as FCC)
- APF: 0.74 (same as FCC)
𝑎: short
edge length
reduced-sphere unit cell
39
Determination of FCC Unit Cell Volume
Sample Problem 5.2.3.1
Calculate the volume of an FCC unit cell in terms of the atomic radius 𝑅.
Find: VC
Solution: 𝑉𝐶 = 𝑎3
Digression: Find 𝑎 (cell edge length) first in terms of R:
Pythagorean Theorem 𝑎2 + 𝑎2 = 4𝑅 2
𝑧 2𝑎2 = 16𝑅2 𝑉𝐶 = 𝑎3
𝑥 𝑎2 = 8𝑅2 3
𝑉𝐶 = 2𝑅 2
2 2
𝑎 = 2 ∙ 4𝑅 𝑉𝐶 = 8 ∙ 𝑅3 ∙ 2 2
𝑦
𝑎 = 2∙2∙𝑅 𝑉 = 16𝑅3 2
𝐶
𝑧2 = 𝑥2 + 𝑦2
𝑎 = 2𝑅 2
40
Computation of the Atomic Packing Factor for FCC
Show that the atomic packing factor for the FCC crystal structure is 0.74.
Find: APF
Solution: 𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑎𝑡𝑜𝑚𝑠 𝑖𝑛 𝑎 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙 𝑉𝑆 𝑉𝑆 = 𝑠𝑜𝑙𝑖𝑑 𝑠𝑝ℎ𝑒𝑟𝑒 𝑣𝑜𝑙𝑢𝑚𝑒
𝐴𝑃𝐹 = =
Digression: 𝑡𝑜𝑡𝑎𝑙 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙 𝑣𝑜𝑙𝑢𝑚𝑒 𝑉𝐶 𝑉𝐶 = 16𝑅3 2 (𝑠𝑜𝑙𝑣𝑒𝑑 𝑝𝑟𝑒𝑣𝑖𝑜𝑢𝑠𝑙𝑦)
Volume of a Sphere
There are 4 atoms per FCC unit cell, so
4 3 4 3 16 3
𝑉 = 𝜋𝑅 𝑉𝑆 = 4 𝜋𝑅 = 𝜋𝑅
3 3 3
16 3
𝑉𝑆 𝜋𝑅
3
𝐴𝑃𝐹 = = = 0.74
𝑉𝐶 3
16𝑅 2
41
5.2.4 Density Computations1
𝑛𝐴
𝜌=
𝑉𝐶 𝑁𝐴
𝜌 = theoretical density for metals (g/cm3)
𝑛 = number of atoms associated with each unit cell (atoms/unit cell)

𝐴 = atomic weight (g/mol)
𝑉𝐶 = volume of the unit cell (cm3/unit cell)
𝑁𝐴 = Avogadro’s number (6.022 × 1023 atoms/mol)
42
5.2.4 Density Computations1
Theoretical Density Computation for Copper
Copper has an atomic radius of 0.128 nm, an FCC crystal structure, and an atomic weight of
63.5 g/mol. Compute its theoretical density and compare the answer with its measured density.
Find: 𝜌
Given: FCC: n = 4 atoms/unit cell 𝑉𝐶 = 16𝑅3 2 (𝑠𝑜𝑙𝑣𝑒𝑑 𝑝𝑟𝑒𝑣𝑖𝑜𝑢𝑠𝑙𝑦)
ACu = 63.5 g/mol R = 1.28 × 10-8 cm (1 nm = 1×10-7 cm)
Solution: 𝑛𝐴𝐶𝑢 𝑛𝐴𝐶𝑢
𝜌= =
𝑉𝐶 𝑁𝐴 (16𝑅3 2)𝑁𝐴
(4 𝑎𝑡𝑜𝑚𝑠Τ𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙)(63.5 𝑔/𝑚𝑜𝑙)
=
[16 2 1.28 × 10−8 𝑐𝑚 3 Τ𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙](6.022 × 1023 𝑎𝑡𝑜𝑚𝑠/𝑚𝑜𝑙)
= 8.89 g/cm3 literature value for the density of Cu is at 8.94 g/cm3
43
5.2.5 Polymorphism and Allotropy1
▪ Polymorphism - phenomenon when metals or nonmetals have more than one crystal structure
▪ Allotropy - polymorphism found in elemental solids
The prevailing crystal structure depends on the temperature and external pressure.
Examples:
▪ Carbon: Graphite at ambient conditions, Diamond at extremely high pressures
▪ Pure Iron: BCC at room temperature, FCC at 912°C
Polymorphic transformations are accompanied by modification of density and other

physical properties.
44
5.2.6 Crystal Systems1
▪ Lattice Parameters (of a Crystal Structure)
- six parameters (axial lengths 𝑎, 𝑏, and 𝑐,
and interaxial angles 𝛼, 𝛽, and 𝛾) that
completely defines unit cell geometry
▪ Crystal System
- one of the seven unit cell geometries
represented by the different possible
combinations of the axial lengths (𝑎, 𝑏, 𝑐)
and interaxial angles (𝛼, 𝛽, 𝛾)
45
Lattice Parameter Relationships and Figures Showing Unit Cell Geometries for the 7 Crystal Systems
- has the highest degree of symmetry
46
Conventionally made of 3 parallelepipeds as shown here.
47
48
49
50
51
- has the least degree of symmetry
52
5.3 Crystalline and Noncrystalline Materials1
5.3.1 Single Crystals1
▪ Single Crystal - for a crystalline solid, when the periodic and repeated arrangement of atoms is
perfect or extends throughout the entirety of the specimen without interruption
- all unit cells interlock in the same way and have the same orientation
- exist in nature but may also be artificially produced but difficult since the
environment must be carefully controlled
- i.e. garnet crystal, single crystal of silicon in electronic microcircuits
53
5.3.2 Polycrystalline Materials1
▪ Polycrystalline - most crystalline solids composed of a collection of many small crystals or grains
▪ Grain Boundary - region where two grains meet having atomic mismatch
(a) (b)
(c) (d)
54
5.3.3 Determination of Crystal Structures1
▪ X-ray Crystallography - tool for determining the atomic and molecular structure of a crystal
allowing a beam of X-rays to be diffracted into many specific directions,
the angles and intensities of which are then used by a crystallographer to
produce a 3D picture of the density of electrons within the crystal, the
mean positions of atoms, chemical bonds, disorder, etc.2
▪ Diffraction-based Techniques in Determining Crystal Structure3:
▪ X-ray Diffraction - most common
▪ Neutron Diffraction
▪ Electron Diffraction
▪ Gamma Ray Diffraction
▪ Other Techniques for 3D Structure Complementary to Diffraction Methods3:
▪ Transmission Electron Microscopy (TEM)
▪ Nuclear Magnetic Resonance (NMR) Spectroscopy - used for biological macromolecules
55
5.3.4 Noncrystalline Solids1
Noncrystalline Solids/Amorphous Materials/Supercooled Liquids
- lack a systematic and regular arrangement of - “without form” - their atomic structure
atoms over relatively large atomic distances resembles that of a liquid
Metals normally form crystalline solids, some ceramic materials are crystalline except for the
amorphous inorganic glasses. Polymers may be completely noncrystalline and semicrystalline.
crystalline SiO2 noncrystalline SiO2
56
5.4 Imperfections in Solids1
▪ Imperfection/Defect
- a lattice irregularity having one or more of its dimensions on the order of an atomic diameter
57
5.4.1 Point Defects1
5.4.1.1 Vacancies and Self-Interstitials1
▪ Point Defect - defect associated with one or two atomic positions
▪ Vacancy/Vacant Lattice Site - simplest of the point defects
- one normally occupied from which
an atom is missing
- contained in all crystalline solids
▪ Self-Interstitial - an atom from the crystal that is crowded into an
interstitial site – a small void space that under
ordinary circumstances is not occupied
58
5.4.1.2 Impurities in Solids1
▪ Alloys - solid solutions of metals where impurity atoms have been added intentionally to impart
specific characteristics to the material
Alloying is ordinarily used in metals to improve mechanical strength and corrosion
resistance.
Example: Sterling Silver - 92.5% Ag - 7.5% Cu
Pure silver - high corrosion resistance but very soft.
Alloying with Cu enhances mechanical strength
▪ Solvent/Host Atoms - element/compound present in the greatest amount
▪ Solute - element/compound present in minor concentration
59
5.4.1.1 Vacancies and Self-Interstitials1
2 Types of Solid Solutions where Impurity Defects are Found:
1. Substitutional Solid Solution
- solute or impurity atoms replace or substitute
for the host atoms
2. Interstitial Solid Solution
- impurity atoms fill the voids or interstices
among the host atoms
60
5.4.2 Miscellaneous Imperfections1
5.4.2.1 Dislocations–Linear Defects1
▪ Dislocation - a linear or one-dimensional defect
around which some of the atoms are
misaligned
▪ Edge Dislocation - an extra portion of a plane of atoms

or half-plane, the edge of which
terminates within the crystal
- linear defect that centers around
the line (dislocation line) that is
defined along the end of the extra
half-plane of atoms
61
▪ Screw Dislocation
- formed by a shear stress that is applied to the
distortion
- upper front region of the crystal is shifted one
atomic distance to the right relative to the bottom
portion
- has an associated atomic distortion which is also
linear and along a dislocation line
62
▪ Mixed Dislocations
- exhibit components of both edge and screw dislocations
63
64
5.4.2.2 Interfacial Defects1
▪ Interfacial Defects
- boundaries that have 2 dimensions and normally separate regions of the materials that have
different crystal structures and/or crystallographic orientations
▪ External Surface
- one of the most obvious boundaries–along which the crystal structure terminates
- surface atoms are not bonded to the maximum number of nearest neighbors, and are there-
fore in a higher energy state than the atoms at interior positions giving rise to surface energy
65
▪ Grain Boundaries
- boundary separating two small grains or crystals
having different crystallographic orientations in
polycrystalline materials
66
▪ Twin Boundary
- a special type of grain boundary across which there
is a specific mirror lattice symmetry; atoms on one side
of the boundary are located in mirror-image positions of
the atoms on the other side
67
5.4.2.3 Bulk or Volume Defects1
▪Other defects which are larger includes:
o Pores
o Cracks
o Foreign Inclusions
o Other Phases
▪Normally introduced during processing and fabrication steps
68
5.4.2.4 Atomic Vibrations1
▪May be thought of as imperfections or defects at any instant of

time when not all the atoms vibrate at the same frequency and
amplitude, nor with the same energy
69
Questions?
70
71
References
1. Callister, W. D. (2007). Materials science and engineering: An introduction (7th ed.). John Wiley
& Sons, Inc.
2. Ryu, W. S. (2017). X-ray crystallography. Molecular Virology of Human Pathogenic Viruses.
Retrieved October 7, 2021, from https://www.sciencedirect.com/topics/biochemistry-
genetics-and-molecular-biology/x-ray-crystallography
3. Structure determination. (2019, March 26). Online Dictionary of Crystallography. Retrieved
October 7, 2021, from https://dictionary.iucr.org/Structure_determination
72

Crystal Structures R0 - 220830

Uploaded by

Document Information

Original Title

Copyright

Available Formats

Share this document

Share or Embed Document

Sharing Options

Did you find this document useful?

Is this content inappropriate?

Copyright:

Available Formats

Crystal Structures R0 - 220830

Uploaded by

Copyright:

Available Formats

5.

Hinihiling po namin ang iyong banal na patnubay sa University of

Gabayan po ninyo kami upang magampanan namin ang aming mga

Sa tulong ng inyong pag-ibig at kahabagan, tulungan po ninyo kami

Itulot po ninyo na kayo ay manatili sa aming diwa, salita, at gawa sa

▪ Materials Engineering - on the basis of the structure–property correlations,

Building Superstructure Integrated Circuit Chip

GFRC - Glass Fiber Reinforced Concrete

artificial hip replacement

hard sphere unit cell reduced-sphere

crystal lattice unit crystal

hard sphere unit cell reduced-sphere

hard sphere unit cell

𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑎𝑡𝑜𝑚𝑠 𝑖𝑛 𝑎 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙 𝑉𝑆

hard sphere unit cell

hard sphere unit cell reduced-sphere

hard sphere unit cell

𝑐: long edge length

𝑎: short edge length

𝜌 = theoretical density for metals (g/cm3)

𝑛 = number of atoms associated with each unit cell (atoms/unit cell)

Polymorphic transformations are accompanied by modification of density and other

- has the highest degree of symmetry

Conventionally made of 3 parallelepipeds as shown here.

- has the least degree of symmetry

crystalline SiO2 noncrystalline SiO2

▪ Edge Dislocation - an extra portion of a plane of atoms

▪May be thought of as imperfections or defects at any instant of

You might also like