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Biomaterials-chapter-1
Learning Objectives
Describe the difference in atomic/molecular structure between
Crystalline and Noncrystalline materials.
Draw unit cells
Derive the relationships between unit cell edge length and atomic radius
Compute the densities given their unit cell dimensions
Specify the miller indices
Describe the different types of imperfections
describe the atomic mechanisms of diffusion.
Write Fick's first and second laws in equation form, and define all
parameters
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Introduction
Solid materials may be classified according to the regularity
with which atoms or ions are arranged with respect to one
another.
A crystalline material is one in which the atoms are situated in a
repeating or periodic array over large atomic distances;
All metals, many ceramic materials, and polymers form
crystalline structures under normal solidification conditions
The properties of some materials are directly related to their
crystal structures.
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Contd
Significant property difference exist between crystalline and non
crystalline of the same materials
Non-crystalline - those that do not crystallize long-range.
atomic order is absent
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Contd
The term lattice is used in the context of crystal structures;
in this sense lattice means a three dimensional array of points
coinciding with atom positions (or sphere centers)
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Contd
A unit cell is chosen to represent the symmetry of the
crystal structure, where in all the atom positions in the
crystal may be generated by translations of the unit cell
integral distances along each of its edges.
The unit cell is the basic structural unit or building
block of the crystal structure and
It defines the crystal structure by virtue of its
geometry and the atom positions within.
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Contd
Two other important characteristics of a crystal structure are:
the coordination number(CN) and
the atomic packing factor (APF).
For FCC, CN is 12.
the front face atom has four corner nearest-neighbor atoms surrounding it,
four face atoms that are in contact from behind, and
four other equivalent face atoms residing in the next unit cell to the front,
which is not shown.
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Aggregate of many
cells representation
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Reduced cell
representation
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Contd
unit cell length a and atomic radius R are related through:
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Contd
The CN for the BCC crystal structure is 8
each center atom has as nearest neighbors its eight
corner atoms
the atomic packing fact or (APF) for BCC is 0.68
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Contd
Another plane that provides three additional atoms to the unit
cell is situated between the top and bottom planes.
The atoms in this mid plane have as nearest neighbors atoms in
both of the adjacent two planes.
The equivalent of six atoms is contained in each unit cell;
one-sixth of each of the 12 top and bottom face corner atoms
one-half of each of the 2 center face atoms, and
all 3 mid plane interior atoms
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Contd
The CN and the APF for the HCP crystal structure are
the same as for FCC: 12 and 0.74, respectively
If a and c represent, respectively, the short and long unit
cell dimensions
The c/a ratio should be 1.633
for some HCP metals this ratio deviates from the
ideal value.
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Example
Calculate the volume of an FCC unit cell in
terms of the atomic radius, R.
Solution
The atoms touch one another across a facediagonal the length of which is 4R. Since the unit
cell is a cube, its volume is where a3 is the cell
edge length.
From the right triangle on the face,
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Example-2
Show that the atomic packing factor for the FCC crystal structure is 0.74.
Solution
The APF is defined as the fraction of solid sphere volume in a unit cell, or
Both the total atom and unit cell volumes may be calculated in terms of
the atomic radius R. The volume for a sphere is (4/3)R3 and since there
are four atoms per FCC unit cell
the total FCC atom (or sphere) volume is:
the total unit cell volume is:
Therefore, the atomic packing factor is:
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Density Computations
A knowledge of the crystal structure of a metallic solid permits
computation of its theoretical density through the relationship:
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Example-3
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Home Work
1. For the HCP crystal structure, show
that the ideal ratio a/c is 1.633.
2. For the HCP Show that the atomic
packing factor for HCP is 0.74
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solid
composed
of
many
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Contd
On this basis there are seven different possible
combinations of a, b, a, , and angles , , and
each of which represents a distinct crystal system
A unit cell with x, y, and z
coordinate
axes,
showing
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Contd
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Contd
Example :
For the unit cell shown in the
accompanying sketch , locate the
point having coordinates 1
Specify point coordinates for all
atom positions for a BCC and FCC
unit cells.
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Contd
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Contd
3. These three numbers are multiplied or divided by a common
factor to reduce them to the smallest integer values.
4. The three indices, not separated by commas, are enclosed in
square brackets, thus: [uvw]. The u, v, and w integers
correspond to the reduced projections along the x, y, and z
axes, respectively.
For each of the three axes, there will exist both positive and
negative coordinates.
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Contd
Thus negative indices are also possible, which are represented by
a bar over the appropriate index
Example :
Determine the indices for the direction shown in the
accompanying figure
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Contd
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Imperfections in Solids
Thus far it has been assumed that perfect order exists throughout
crystalline materials on an atomic scale.
However, such an idealized solid does not exist
all contain large numbers of various defects or imperfection.
The properties of some materials are profoundly influenced by
the presence of imperfections.
Consequently, it is important to have a knowledge about:
the types of imperfections that exist and
the roles they play in affecting the behavior of materials.
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Classification
Point Defect(0D)
are imperfect point like regions in the crystal
Different point defects are :
Vacancy
Interstitial
Substitutional atom
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Vacancies
The simplest of the point defects
Vacant lattice site, one normally occupied from which an atom
is missing.
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Contd
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Homework
Calculate the equilibrium number of vacancies per
cubic meter for copper at10000C. The energy for
vacancy formation is 0.9eV/atom; the atomic
weight and density (at 10000C) for copper are
63.5 g/mol and 8.4 g/cm3, respectively.
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Interstitial
A self-interstitial is an atom from the crystal that is crowded
into an interstitial site, a small void space that under ordinary
circumstances is not occupied.
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Contd
Consequently, the formation of this defect is not highly
probable, and it exists in very small concentrations, which are
significantly lower than for vacancies.
It may be the same type of atom as the rest surrounding it (self
interstitial) or a foreign impurity atom.
Interstitialcy is most probable if the atomic packing factor is low
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Substitutional
Another way an impurity atom can be fitted into a crystal
lattice is by substitution
A substitutional atom is a foreign atom occupying original
lattice position by displacing the parent atom.
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Contd
In the case of interstitial and foreign atoms (both interstitial
and substitutional), there is a change in the coordination of
atoms around the defect. This means that the forces are not
balanced in the same way as for other atoms in the solid,
which results in lattice distortion around the defect.
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Line defect(1D)defect(1D)-Dislocations
A dislocation is a linear or one-dimensional defect around
which some of the atoms are misaligned
They are abrupt changes in the regular ordering of atoms
along a line (dislocation line) in the solid
They occur in high densities and strongly influence the
mechanical properties of material
Two types
1) Edge dislocation
2) Screw dislocation
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Edge Dislocation
it is a linear defect that centers around the line that is defined
along the end of the extra half-plane of atoms
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Screw Dislocation
Another type of dislocation, called a screw dislocation, exists,
which may be thought of as being formed by a shear stress that
is applied to produce the distortion shown in figure below:
the upper front region of the crystal is shifted one atomic
distance to the right relative to the bottom portion
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Contd
Most dislocations found in crystalline materials are probably
neither pure edge nor pure screw, but exhibit components of both
types; these are termed mixed dislocations.
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crystallographic
orientation
in
polycrystalline materials.
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Diffusion
The phenomenon of material transport by atomic motion
(atomic level)
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distortion during the
displacement
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Mechanisms of Diffusion
1. Vacancy
2. Interstitial
3. Substitution
Vacancy diffusion
The interchange of an atom from a normal lattice position to an
adjacent vacant lattice site or vacancy
This process necessitates the presence of vacancies
Since diffusing atoms and vacancies exchange positions, the
diffusion of atoms in one direction corresponds to the motion of
vacancies in the opposite direction.
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Contd
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Interstitial Diffusion
Involves atoms that migrate from an interstitial position to a
neighboring one that is empty.
This mechanism is found for interdiffusion of impurities such
as hydrogen, carbon, nitrogen, and oxygen, which have atoms
that are small enough to fit into the interstitial positions
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SteadySteady-State Diffusion
Diffusion is a time-dependent process
i.e. in a macroscopic sense, the quantity of an element that is
transported within another is a function of time.
Rate of mass transfer (rate of diffusion) is given by:
Where:
J- diffusion flux
M- mass or equivalent number of atoms
A - area across which diffusion is occurring and
t - is the elapsed diffusion time
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Contd
If the diffusion flux does not change with time, a steadystate condition exists.
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Contd
If the diffusion flux does not change with time, a steady-state
condition exists.
The
mathematics
of
steady-state
Where:
D - diffusion coefficient
(dC/dx) -concentration gradient
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Example
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Contd
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Contd
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NonNon-steadysteady-Sate Diffusion
diffusion flux and the concentration gradient at some particular
point in a solid vary with time, with a net accumulation or
depletion of the diffusing species resulting.
Most practical diffusion situations are non-steady-state ones.
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