Chapter 1 - The Structure of Crystalline Solids

8/26/2023
MATERIALS SCIENCE
Outline of course
Chapter 1_ The structure of crystalline solids
Chapter 2_ Metallic materials
Chapter 3_ Ceramic materials
Chapter 4_ Polymeric materials and composites
Chapter 5_ Imperfections in crystalline solids
Chapter 6_ Phase diagrams
26 August 2023
Giang V. H. Phan
Giang VH Phan_Materials Science – Chapter 1 1
MATERIALS
SCIENCE AND ENGINEERING
• Materials have shaped the
development of civilizations
Introduction
26 August 2023 Giang VH Phan_Materials Science – Chapter 1 2
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8/26/2023
Elon Musk predicts that “computers, intelligent machines, and robots

seem like the workforce of the future”
Introduction
• Class time: as schedule
• Classroom: as schedule
• Instructor: Phan Vũ Hoàng Giang
• Office room: C111
• Phone: 0933 156 890
• Email: phanvuhoanggiang@tdtu.edu.vn
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Introduction
 Be on time
 Be quiet when lecturer is talking
 Raise your hand to talk
 Respect and listen to lecturer and classmates
 Ask question and positively discuss
 Finish your homework on time
 Read lecture before class
 Be proud of your work
 ……………………………..
Learning Outcomes
• Knowledge: provide fundamental knowledge in the field of
Materials Science, including matter states, bonding in solids,
structure of crystalline and amorphous solids, crystal lattice,
imperfection in crystalline solids, classification of materials;
structures and properties of metals and alloys, ceramics, polymers,
and composites.
• Skills: be able to describe the structure and property of various
materials at the atomic and molecular, microscopic, and
macroscopic scales; understand and explain the behavior of
materials, analyze and apply phase diagrams in materials
processing.
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Learning Outcomes
• Thinking: ability to apply knowledge learned to evaluate and
predict properties of materials, select appropriate material for
specific application.
• Attitude: motivate to learn and apply knowledge learned to solve
current problems in materials science and engineering;
develop knowledge and skills for future career in both industry and
academia.
Grading policy
Grading weights
• 10% in-class Examination (throughout the course on unannounced
dates)
• 20% Term paper (submitted at the end of course)
• 20% Midterm exam (45 minutes, closed book, )
Sinh viên được sử dụng 1 tờ A4 ghi chép nội dung tham khảo
• 50% Final exam (60 minutes, closed book)
Sinh viên được sử dụng 1 tờ A4 ghi chép nội dung tham khảo
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Content of term paper

• Advanced materials
• Biomaterials, tissue engineering
• Smart materials, photonic materials
• Shape memory materials
• Semiconductors
• Piezoelectric materials
• Materials for optic fiber, microelectromechanical devices, thin film
transistor, displays, automotive, aerospace, energy storage
• Nanomaterials
Textbooks
[1]. William D Callister Jr, David G.
Rethwisch, 2018, Materials Science and
Engineering: An Introduction, 10th Ed.,
Wiley
[2]. Lê Công Dưỡng, 2000, Vật liệu học,
NXB Khoa học Kỹ thuật, Hà Nội
[3]. Donald R. Askeland, Pradeep P.
Fulay, Wendelin J. Wright, 2016, The
Science and Engineering of Materials,
7th Ed., Cengage
[4]. J.C. Anderson, Keith D. Leaver, Rees
D. Rawlings, Patrick S. Leevers, [2003],
Materials Science for Engineers, 5th ed,
Nelson Thornes Ltd, UK
[5]. Nguyễn Đình Phổ, [2013], Vật Liệu
Học, NXB Đại học Quốc gia TPHCM,
TPHCM
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Textbook
• Going to the Inspire Library is mandatory
Outline of course
• Chapter 1 - The structure of crystalline solids

Midterm exam
• Chapter 2 - Metallic materials
• Chapter 3 - Ceramic materials

• Chapter 4 - Polymeric materials and composites
Final exam
• Chapter 5 - Imperfections in crystalline solids
• Chapter 6 - Phase diagrams
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MATERIALS SCIENCE
Chapter 1
The Structure of Crystalline

Solids
Giang V. H. Phan
1.1. Introduction
• Terminology
• Matter is any substance that has mass and takes up space by
having volume
• State of matter (phase of matter) is the distinct forms in
which matter can exist. General four states of matter are observable in
everyday life: solid, liquid, gas, and plasma
* Intermediate states are known to exist (e.g. liquid crystal, degenerate
matter, etc)
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1.1. Introduction
• Solid: has a defined shape and volume, constituent particles (atoms,
molecules or ions) are closely packed together. The forces between
them are so strong that the they only vibrate
• Liquid: has a defined volume but lacks a defined shape (conform to
shape of its container). Particles within a liquid are not packed as
close together as in a solid, allowing them move around each other
• Gas: has no definite shape or volume, but occupies the entire
container in which it is confined. The molecules have enough kinetic
energy so that the effect of intermolecular forces is small (or zero for
an ideal gas), and the typical distance between neighboring molecules
is much greater than the molecular size, move quickly in all
directions
• Plasma (a gas of charges particles): like a gas, a plasma lacks a defined
shape or volume. However, the particles of a plasma are electrically
charged (ionized gas), e.g lightning, fluorescent lights
1.1. Introduction
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1.1. Introduction
• What are materials? They have been variously defined
• According to Webster’s dictionary, materials may be defined as
substances of which something is composed or made
• A material is a substance or mixture of substances that constitutes an
object (wikipedia)
• Theo cách hiểu phổ biến, vật liệu là những vật rắn được sử dụng để
chế tạo đồ dùng, dụng cụ, máy móc, thiết bị,… phục vụ nhu cầu của
con người (GS. Lê Công Dưỡng)
1.1. Introduction
Robots on Mars
• Engineers design most manufactured products and the processing

systems required for their production. Since products require materials,
engineers should be knowledgeable about the internal structure and
properties of materials so that they can choose the most suitable ones
for each application and develop the best processing methods
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1.1. Introduction
• Civilizations have been designated by the level of their materials
development (Stone Age, Bronze Age, Iron Age)
• Polymer age
• Semiconductors
• Advanced materials
• Smart materials
• Functional materials
1.1. Introduction
• Terminology
• Composition: Chemical makeup of a material
• Structure : Description of the arrangement of atoms
• Microstructure: Structure of the material at the microscopic scale
• Materials Science: investigate the relationships that exist between the
composition, structure and properties of materials (i.e., why materials
have their properties)
• Materials engineering: mainly concerned with the use of fundamental
and applied knowledge of materials so that the materials can be
converted into products needed or desired by society
• The role of a materials scientist is to develop or synthesize
new materials, whereas a materials engineer is called upon to create
new products or systems using existing materials and/or to develop
techniques for processing materials
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1.1. Introduction
Al2O3
1. Single crystal
2. Polycrystalline
3. Polycrystalline + pores
• The properties of materials

are determined by their chemical
composition and their internal
structure
1.1. Introduction
Hydroxyapatite (Hap, synthetic or natural
origin) has a hexagonal crystal, unit cell
lattice parameters a = 0.95 nm and c =
0.68 nm
β-Tricalcium Phosphate (β-TCP):

rhombohedral crystal structure, lattice
parameters: a = b = 10.439 Å, and c = 37.375
Å
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1.2. Atomic bonding in solids

• Type of bonding: primary bonds and secondary bonds
• Primary bond (chemical bond): direct interaction of electrons
between two or more atoms, bonds are formed when outer orbital
electrons are transferred or shared between atoms, including: ionic,
covalent, and metallic bond
• Weaker secondary bonds (physical bonds) result from a more subtle
attraction between positive and negative charges with no actual
transfer or sharing of electrons, including: hydrogen bonding, dipole–
dipole interactions, and van der Waals forces (named after the
famous Dutch physicist who first described them)

• Ionic bonding is always found in compounds composed of metallic and
nonmetallic elements
• Bonding energy generally ranges between 600 and 1500 kJ/mol, are
relatively large and nondirectional (magnitude of the bond is equal in
all directions)
• Found in ceramic materials (reflected in high melting temperatures,
hard and brittle, electrically and thermally insulative)
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• Covalent bonding is found in materials whose atoms have small
differences in electronegativity (ability of an atom to attract electrons to
itself)
• Two covalently bonded atoms will each contribute at least one electron
to the bond, and the shared electrons may be considered to belong to
both atoms
• The covalent bond is directional (direction between one atom and
another that participates in the electron sharing)

The tetrahedral structure of silica, which
contains covalent bonds between silicon and
oxygen atoms
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• Metallic bonding: found in metals and their alloys
• The electrons in the outermost shell are not bound to any particular
atom in the solid and are free to drift throughout the entire metal. They
may be thought of as belonging to the metal as a whole, or forming a
“sea of electrons” or an “electron cloud.”
• The remaining nonvalence electrons and atomic nuclei form what are
called ion cores, these free electrons act as a “glue” to hold the ion
cores together

• Metals are good conductors of both electricity and heat as a
consequence of their free electrons
• Bonding may be weak or strong; energies range from 62 kJ/mol for
mercury to 850 kJ/mol for tungsten. Their respective melting
temperatures are -39°C and 3414°C
• The metallic bonds are non-directional
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• Permanent dipole exist in some molecules by an asymmetrical
arrangement of positively and negatively charged regions
• Dipole-Dipole interactions: are attractive forces between the positive
end of one polar molecule and the negative end of another polar
molecule (between permanent dipole)
Bonding energy range between about 4 and 30 kJ/mol

• The mechanism of secondary bonding is somewhat similar to ionic
bonding (i.e., the attraction of opposite charges). The key difference is
that no electrons are transferred

• Van der Waals force: attractive force between temporary dipole
The Nobel Prize in Physics 1910, Johannes Diderik van der Waals "for
his work on the equation of state for gases and liquids"
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• The strongest secondary bonding type, the hydrogen bonding, is a
special case of dipole-dipole interaction. It occurs between polar
molecules in which hydrogen is covalently bonded to fluorine (H-F),
oxygen (H-O), or nitrogen (H-N)
• The magnitude of the hydrogen

bond is generally greater than that
of the other types of secondary
bonds and may be as high as 51
kJ/mol
• The attractive energy between two
ions is proportional to 1/r, whereas
the attractive energy between two
dipoles is proportional to 1/r6
1.3. Classification of materials

• Solid materials have been conveniently grouped into three basic
categories: metallic materials, polymeric materials, and ceramic
materials based primarily on chemical makeup and atomic structure
• The composites are engineered combinations of two or more different
materials
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• Familiar objects made of metals and metal alloys (from left to right):
fork and knife, scissors, coins, a gear, a wedding ring, and a nut and
bolt

• Metallic materials are composed of one or more metallic elements
(e.g., iron, aluminum, copper, titanium, gold, nickel), and often also
nonmetallic elements (e.g., carbon, nitrogen, oxygen) in relatively
small amounts. Atoms in metals and their alloys are arranged in a very
orderly manner and are relatively dense in comparison to the ceramics
and polymers
• Metal alloy refers to a metallic substance that is composed of two or
more elements
• Regard to mechanical characteristics, these materials are relatively
stiff and strong, ductile (i.e., capable of large amounts of deformation
without fracture), and are resistant to fracture, which accounts for
their widespread use in structural applications
• Metallic materials have large numbers of nonlocalized electrons—that
is, these electrons are not bound to particular atoms. Many properties
of metals are directly attributable to these electrons
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• Metals and alloys are commonly divided into two classes: ferrous
metals and alloys that contain a large percentage of iron such as the
steels and cast irons and nonferrous metals and alloys that do not
contain iron or contain only a relatively small amount of iron
• Examples of nonferrous metals are aluminum, copper, zinc,
titanium, and nickel
• The distinction between ferrous and nonferrous alloys is made because
of the significantly higher usage and production of steels and cast irons
when compared to other alloys

• Ceramics are inorganic and nonmetallic materials formed from
metallic and nonmetallic elements whose interatomic bonds are either
ionic or combine ionic and covalent or covalent, they are most
frequently oxides, nitrides, and carbides
• Traditional ceramic materials composed of clay minerals (e.g.,
porcelain, brick, tile, pottery), as well as cement and glass
• Advanced ceramics has higher strength, better wear and corrosion
resistance (even at high temperature), and enhanced thermal shock
resistance, including aluminum oxide (or alumina, Al2O3), silicon
dioxide (or silica, SiO2), silicon carbide (SiC), silicon nitride (Si3N4)
Silicon nitride ceramic for ball
bearings and tiles of space shuttle
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• Common objects made of ceramic materials: a china teacup, a
building brick, a floor tile, and a glass vase

• Regard to mechanical behavior, ceramic materials are relatively stiff
and strong—stiffness and strengths are comparable to those of the
metals . In addition, they are typically very hard
• Historically, ceramics have exhibited extreme brittleness (lack of
ductility) and are highly susceptible to fracture. However, newer
ceramics are being engineered to have improved resistance to fracture;
these materials are used for cookware, cutlery, and even automobile
engine parts
• Ceramic materials are typically insulative to heat and electricity, more
resistant to high temperatures and harsh environments than are
metals and polymers
• With regard to optical characteristics, ceramics may be transparent,
translucent, or opaque and some of the oxide ceramics (e.g., Fe3O4)
exhibit magnetic behavior
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Several common
objects made of
polymeric materials:
plastic tableware
(spoon, fork, and
knife), billiard balls,
a bicycle helmet,
two dice, a lawn
mower wheel
(plastic hub and
rubber tire), and a
plastic milk carton

• Polymers include plastics and rubber, almost are organic compounds
that are chemically based on carbon, hydrogen, and other nonmetallic
elements (i.e., O, N, and Si)
• They have very large molecular weight, some common and familiar
polymers are polyethylene (PE), nylon, poly(vinyl chloride) (PVC),
polycarbonate (PC), polystyrene (PS), and silicone rubber
• These materials typically have low densities, they are not as stiff or
strong as the metallic and ceramic materials
• However, some polymers have their stiffness and strength on a per-
mass basis are comparable (even higher) to those of the metals and
ceramics
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• Polymers are generally extremely ductile and pliable (i.e., plastic),
which means they are easily formed into complex shapes
• They are relatively inert chemically and unreactive in a large number
of environments. Furthermore, they have low electrical conductivities
and are nonmagnetic
• One major drawback to the polymers is their tendency to soften
and/or decompose at modest temperatures, in some instances, limits
their use
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• Composites: composed of two (or more) individual materials, design
goal of a composite is 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
• CFRP composites are used in some aircraft and aerospace applications,
as well as in high-tech sporting equipment (e.g., bicycles, golf clubs,
tennis rackets, skis/ snowboards) and recently in automobile bumpers.
The Boeing 787 is primarily made from such CFRP composites.
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• Advanced materials which utilized in high-technology (high-tech)
applications, they may be of all material types (e.g., metals, ceramics,
polymers) and are normally expensive, including semiconductors
(having electrical conductivities intermediate between those of
conductors and insulators), biomaterials (which must be compatible
with body tissues), smart materials (those that sense and respond to
changes in their environments in predetermined manners), and
nanomaterials (those that have structural features on the
order of a nanometer, some of which may be designed on the
atomic/molecular level)
1.4. Structure of crystalline solids

• TDT Crystal growing competition: grow the biggest and highest quality
single crystal
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• Structure of materials: arrangements of constituent particles (atoms,
ions or molecules) in the solid state
• Solid materials may be classified according to the regularity with which
constituent particles are arranged with respect to one another
• A crystalline solids: constituent particles have an orderly arrangement
over large distance, or long-range order
• Noncrystalline or amorphous solids: constituent particles arrange
randomly or only short-range order

Amorphous
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Crystalline

• Characteristics of crystalline solids and amorphous solids
Crystalline solid
• Have well-defined melting
temp, Tm
• Have abrupt change in
specific volume at Tm
Amorphous solid
• Specific volume varies
smoothly with T
• Tend to soften slowly over
a wide temperature range
Tg: Glass transition temperature
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• To represent ordered arrangement of atoms, ions or molecules in
a crystalline material: Crystal lattice
• A space lattice is a collection of infinite points in space, called lattice
points, which are arranged in a periodic pattern so that the
surroundings of each point in the lattice are identical
• Mạng lưới không gian (space lattice) là một tập hợp vô hạn các nút
mạng (lattice points) sắp xếp theo một trật tự tuần hoàn nhất định,
trong đó mỗi nút mạng đều được bao quanh bởi một số lượng bằng
nhau của các nút gần nhất với khoảng cách như nhau
A space lattice
Mô hình để sắp xếp
các đơn vị cấu trúc
tạo thành nên cấu
trúc tinh thể
Lattice points

• Size and shape
of unit cell
 Seven crystal
systems
• The way that

lattice points
arrange in unit cell
 14 Bravais Crystal
Lattices
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1.5. Crystal structure

• There are many different possible crystal structures, it is sometimes
convenient to divide them into groups according to unit cell
configurations and atomic arrangements
• An x-y-z coordinate system is established with its origin at one of the
unit cell corners. The unit cell geometry is completely defined in
terms of six parameters: the three edge lengths a, b, and c, and the
three interaxial angles α, β, γ, and are termed the lattice parameters
of a crystal structure
• Lattice parameters describe size

and shape of unit cell

• There are seven different possible combinations of a, b, c and α, β, γ :
seven crystal systems are cubic, tetragonal, hexagonal, orthorhombic,
rhombohedral (called trigonal, ba phương ), monoclinic, and triclinic
• Depend on arrangement of atoms in lattice, there are fourteen basic
types, known as the Bravais Lattices
• Tùy thuộc vào đặc trưng của các thông số

mạng (hình dạng ô cơ sở): 7 hệ tinh thể
• Từ 7 hệ tinh thể này, tùy thuộc vào cách
sắp xếp nguyên tử (hoặc nhóm nguyên
tử, đơn vị cấu trúc) mà có 14 kiểu mạng
Bravais (tương ứng 14 loại ô cơ sở)
Auguste Bravais (1811—1863), French physicist best

remembered for his work on the lattice theory of crystals
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• A space lattice is used to describing the arrangement of particles
(atom, ion, molecule) that form a crystal
• Crystal lattice: three-dimensional structural arrangements of atoms,
ions or molecules (constituent particle) at every lattice point
• Mạng tinh thể (cấu trúc tinh thể) là mạng lưới không gian ba chiều
trong đó các nút mạng là các đơn vị cấu trúc (gồm một hoặc một
nhóm nguyên tử, ion, phân tử)
Zn2+ (0,0,0),
Au S2-(1/4,1/4,1/4)
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• Crystal structure = Lattice + Basis. A crystal is defined as a lattice with
a basis added to each lattice point
• Crystal structure can be obtained by attaching atoms, groups of atoms or
molecules which are called basis to the lattice point
• Basis: structural unit (đơn vị cấu trúc), single atom or a group of atoms
(or ion, molecule) placed on every lattice point associated with a
lattice point Crystal structure
Basis
Lattice
Basis
Lattice: How to repeat?

Basis: What to repeat?
Basis
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Lattice + Basis Crystal structure

• β-Tricalcium Phosphate(β-TCP): Ca3(PO4)2, • The unit cell of Na-MMT is
bone graft substitute material, rhombohedral composed of 82 atoms (6 Al
crystal structure, β-TCP unit cell contains 273 atoms, 2 Mg atoms, 2 Na
atoms (63 Ca atoms, and 42 PO4 groups) atoms, 16 Si atoms, 8 H
Lattice parameters: atoms and 48 O atoms)
a = b = 10.439 Å,
and c = 37.375 Å
Si4+, Al3+
Ca2+, Na+
Montmorillonite
crystal system:
Monoclinic, a =
5.23Å, b = 9.06Å,
c ~ 12.5Å
Al3+, Mg2+
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• Periodicity in crystal lattice: to describe crystal structures, it is often
convenient to subdivide the structure into small repeat entities called
unit cells (ô cơ sở)
• The unit cell is the smallest part of a crystal that repeated regularly
through translation in three dimensions creates the whole crystal
• The unit cell is the basic structural unit or building block of the crystal
structure

• A unit cell is the smallest repeating portion of a crystal lattice
• Ô cơ sở: Là ô mạng khi tịnh tiến theo 3 chiều trong không gian sẽ tạo
thành mạng tinh thể. Cách xắp xếp các nút trong ô cơ sở là đại diện
chung cho toàn mạng tinh thể
• Từ một ô cơ sở bằng các thao tác đối xứng, tịnh tiến theo ba chiều
trong không gian sẽ nhận được toàn bộ mạng tinh thể
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• The seven crystal systems
Lập phương
Sáu phương
Bốn phương
Ba phương
Trực thoi
Một nghiêng
Ba nghiêng
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• The 14 Crystal
(Bravais) Lattices

• The Pearson symbol, or Pearson notation, is used in crystallography as
a means of describing a crystal structure, and was originated by W.B.
Pearson
Crystal family
P Primitive
a triclinic = anorthic
Body centered
m monoclinic I
(from innenzentriert (in German)
o orthorhombic F All faces centered
t tetragonal
S base-centered
h hexagonal
c cubic
Crystal Family Full Bravais Lattice Lattice Symbol Pearson Symbol
Cubic Simple Cubic P cP
Face-Centered Cubic F cF
Body-Centered Cubic I cI
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1.6. The symmetry of crystal

• Symmetry in crystals: Center of symmetry, Axis of symmetry, Plane
of symmetry
• Centre of symmetry (Tâm đối xứng): an imaginary point in
the object that any point on the surface of the object has an identical
point on the opposite side of the center

• Axis of symmetry (trục đối xứng) is an imaginary line, passing through
the object that when the object is rotated about this line, it presents
the same appearance more than once in one complete revolution
(360 o, fill the same space two, three, four, or six times)
• Là đường thẳng đi qua vật thể mà khi quay vật thể xung
quanh đường thẳng này 360o thì vật thể trùng với chính nó n lần. n-gọi
là bậc của trục đối xứng
This line is called axis of symmetry
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• The cube has 13 rotational symmetry axes

• Plane of symmetry: an imaginary plane which passes through the
object and divides it into two equal portions which are exactly the
superimposable mirror images of each other
• Là mặt phẳng chia vật thể làm 2 phần, phần này là ảnh của phần kia
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• The cube has nine symmetry planes

• Three planes lie parallel to the side squares
and go through the center (picture)
• Six planes go through opposite edges
• Two body diagonals
1.7. Point coordinates

• When study crystal structure, necessary to specify a particular point, a
crystallographic direction, and crystallographic plane
• Position in lattice expressed as fractions or multiples of unit-cell
dimensions
• Point coordinates (toạ độ nút mạng, chỉ số nút mạng)
• Labeling points in a unit cell

follows the same procedure for
listing points in any Cartesian
coordinate system, using a bar
over figure for negative value
• Notation for red point: 100 or
(1,0,0) or 1,0,0
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1.8. Crystallographic direction

• A crystallographic direction (phương tinh thể) is defined as a line
directed between two points, or a vector
The [100], [110], and [111] directions

within a unit cell
[435]

• The directions are always expressed as z
001
sets of smallest integer values
intergers (multiplied or divided by a 101
common factor), enclosed in square 1
01
brackets and not commas [uvw] 2
Head
• Determine the indices for the direction
shown (‘Head ‘ – ‘Tail’) 000 y
Tail
x
For pink vector
x y z
Ngọn, đầu Head point coordinate 1 0 1/2
Đuôi, gốc Tail point coordinate 1 1 0
Coordinate difference 0 -1 1/2
Value of u, v, w 0 -2 1
Given direction [02 1]
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11
1
22 1.8. Crystallographic direction
• Determine the indices for the direction shown in the accompanying
figure
z
001
101
11
1
22
000 y

• Note that the directions [111] and [11 1 ] are structurally very similar.
Both are body diagonals through identical unit cells
• If you look at all body diagonals associated with the cubic crystal system,
it is apparent that they are structurally identical, differing only in their
orientation in space
• A set of directions, which are structurally equivalent, is called a family of
directions and is designated by angular brackets
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• A family of crystallographic directions
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1.9. Crystallographic planes

• In crystallography how the indices of planes are written

• The planes are expressed as a set of integers, known as Miller indices
(hkl) (Miller-Bravais indices)
• Any two planes parallel to each other are equivalent and have identical
indices. The Miller indices (hkl) usually refer to the plane that is
nearest to the origin without passing through it
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If the plane passes through the
selected origin, either another
parallel plane must be constructed
within the unit cell by an
appropriate translation, or a new
origin must be established at the
corner of another unit cell.

• Determine the indices for the given plane
Axis x y z
1. Intercepts 1 1 1
2. Reciprocals 1/1 1/1 1/1
1 1 1
3. Reduction 1 1 1
O
4. Miller indices 1 1 1
(111)
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Axis x y z
1. Intercepts 1 1 ∞
2. Reciprocals 1 1 0
3. Reduction 1 1 0
4. Miller indices 1 1 0
(110)

Axis x y z
0. Choose new origin 0 1 0
1. Intercepts ∞ -1 1/2
2. Reciprocals 0 -1 2
3. Miller indices ( 0 1 2)
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• Determine the indices for the following planes
z’
x’
Pink plane
Axis x y z
1. Intercepts ∞ -1 ∞
2. Reciprocals 0 -1 0

Choose origin at (0,0,0) and (1,1,0)
Axis x y z
1. Intercepts -1 -1/2 1
2. Reciprocals -1 -2 1
Axis x y z
0. Choose origin 0 0 0
1. Intercepts 2 1 -2
2. Reciprocals 1/2 1 -1/2
3. Miller indices (12 1 )
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• Determine the indices for the given planes
2/3
1/2
1/2
1/2

• As equivalent directions, we can group structurally equivalent planes
as a family of planes with Miller indices enclosed in braces {hkl}
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• Notice: A “family” of planes contains all planes that are
crystallographically equivalent— that is, having the same atomic
packing; a family is designated by indices enclosed in braces—such as
{100}. For example, in cubic crystals
(111), ( 1 1 1 ), ( 1 11), (1 1 1 ), (11 1 ), ( 1 1 1), ( 1 1 1 ) and (1 1 1) planes all
belong to the {111} family

• Mistakes
• 001  miss parentheses (001)
• (1,2,3)  No commas
• (-1-23)  ( 1 2 3)
1
• ( 23)  x 2  (146)
2
• (246)  /2  (123)
1.10. Interplanar spacing

• The distance between two adjacent and parallel planes of atoms with
the same Miller indices is called is the interplanar spacing dhkl
• For example, for crystal structures that have cubic symmetry
a is the lattice parameter (unit cell edge length)
• Khoảng cách giữa các mặt tinh

thể (interplanar spacing) : khoảng
cách gần nhất giữa các mặt tinh
thể song song có cùng chỉ số hkl
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a a a a
d110   d111  
2 2
1 1  0 2 2 2
1 1 1 2 2 3
For Aluminum
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1.11. Crystalline and noncrystalline materials

• Hai trạng thái cấu trúc tồn tại của vật rắn: chất rắn tinh thể và chất rắn
không có cấu trúc tinh thể/vô định hình (crystalline solid and
noncrystalline/amorphous solid)
• Chất rắn tinh thể : Các phần tử cấu tạo nên chất rắn sắp xếp có trật tự
xa, có nhiệt độ nóng chảy xác định
• Chất rắn vô định hình: Các phần tử cấu tạo nên chất rắn sắp xếp
không có trật tự (hoặc chỉ có trật tự gần), chỉ có khoảng nhiệt độ nóng
chảy, không có nhiệt độ nóng chảy xác định
SiO2, Al2O3, Fe2O3, SiO2
MgO, CaO, Na2O,
K2O, TiO2, MnO2 Sand
Quartz

• Solids
48
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• For a crystalline solid, when the periodic and repeated arrangement of
atoms is perfect or extends throughout the entirety of the sample
without interruption, the result is a single crystal, or monocrystalline
• A polycrystalline solid or polycrystal is made up of a large number of
small crystals (grains), separated from one another by grain boundaries.
Each grain can be thought of as a single crystal, within which the atomic
structure has long-range order
• Noncrystalline solid materials (amorphous materials) lack a systematic
and regular arrangement of atoms or ions over relatively large distances
chromium potassium methylammonium lead
sulfate triiodide (MAPbI3)

• Polycrystalline solid (polycrystal) and single crystal
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“Grains”
Differently oriented crystals

Grain boundary

• Most crystalline solids are composed of a collection of many small
crystals or grains; such materials are termed polycrystalline
• Initially, small crystals or nuclei form at various positions. These have
random crystallographic orientations. The small grains grow by the
successive addition from the surrounding liquid of atoms to the
structure of each, the crystallographic orientation varies from grain to
grain. Also, there exists some atomic mismatch within the region
where two grains meet; this area, called a grain boundary
50
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• Given enough stress and
thermal energy, dislocations
will easily move throughout the
crystalline grains, however,
once a dislocation reaches a
grain boundary, it has nowhere
to go, grain boundaries stop
dislocations
• Thus, an easy way to improve
the strength of a material is to
make the grains as small as
possible, increasing the amount
of grain boundary, the higher
the strength becomes

• Polymorphism (many + forms) is when a specific material can have
more than one crystal structure,
• Alpha-quartz is the most common polymorph of the silica minerals.
Others include beta-quartz, tridymite, cristobalite, and silica glass
• Đa hình là khả năng mà một vật liệu rắn có thể tồn tại ở nhiều dạng
cấu trúc tinh thể khác nhau
• Allotropy is polymorphism for
elemental solids
• Thù hình là hiện tượng một
nguyên tố tồn tại ở nhiều dạng
cấu trúc tinh thể khác nhau
• Pure iron has a BCC crystal
structure at room temperature,
which changes to FCC iron at
912°C
51
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• α-quartz crystallizes in the trigonal crystal system, β-quartz belongs to
the hexagonal system. β-quartz, is the more symmetrical form quartz
takes at sufficiently high temperatures (about 573 °C at one atmosphere
of pressure)

• Allotropes of carbon
Carbon nanotube
C-60 fullerene
What make them huge difference in physical property?

- Arrangement of atoms, structure determines property
52
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Review
• Determine the Miller indices for the planes shown in the following unit
cells
1/2
1/2
Review
cells
z
1/2
3/4 1/2
y
1/2
53
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Review
cells
Review
cells
54
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Review
cells:
Review
cells
1/2
1/2
1/2
55
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Review
cells
Review
cells
56
8/26/2023
Review
cells
57

Chapter 1 - The Structure of Crystalline Solids

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Chapter 1 - The Structure of Crystalline Solids

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8/26/2023

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 2

Elon Musk predicts that “computers, intelligent machines, and robots

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 3

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 4

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 5

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 6

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 7

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 8

Content of term paper

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 9

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 11

• Chapter 1 - The structure of crystalline solids

• Chapter 3 - Ceramic materials

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 12

The Structure of Crystalline

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 13

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 14

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 15

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 16

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 17

• Engineers design most manufactured products and the processing

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 18

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 19

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 20

• The properties of materials

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 21

β-Tricalcium Phosphate (β-TCP):

1.2. Atomic bonding in solids

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 23

1.2. Atomic bonding in solids

1.2. Atomic bonding in solids

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 25

1.2. Atomic bonding in solids

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 26

1.2. Atomic bonding in solids

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 27

1.2. Atomic bonding in solids

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 28

1.2. Atomic bonding in solids

Bonding energy range between about 4 and 30 kJ/mol

1.2. Atomic bonding in solids

1.2. Atomic bonding in solids

• The magnitude of the hydrogen

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 31

1.3. Classification of materials

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 32

1.3. Classification of materials

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 33

1.3. Classification of materials

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 34

1.3. Classification of materials

1.3. Classification of materials

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 36

1.3. Classification of materials

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 37

1.3. Classification of materials

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 38

1.3. Classification of materials

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 39

1.3. Classification of materials

26 August 2023 Giang VH Phan_Materials Science – Chapter 1 40