The document discusses the structure of crystalline solids and how atoms are packed together. There are three main packing structures for metallic crystals: simple cubic, body centered cubic, and face centered cubic. The face centered cubic structure has the highest atomic packing factor and density. The density of a material depends on its crystal structure and packing efficiency. Ordered crystal structures tend to have lower energies than non-crystalline materials due to efficient packing of atoms.
The document discusses the structure of crystalline solids and how atoms are packed together. There are three main packing structures for metallic crystals: simple cubic, body centered cubic, and face centered cubic. The face centered cubic structure has the highest atomic packing factor and density. The density of a material depends on its crystal structure and packing efficiency. Ordered crystal structures tend to have lower energies than non-crystalline materials due to efficient packing of atoms.
The document discusses the structure of crystalline solids and how atoms are packed together. There are three main packing structures for metallic crystals: simple cubic, body centered cubic, and face centered cubic. The face centered cubic structure has the highest atomic packing factor and density. The density of a material depends on its crystal structure and packing efficiency. Ordered crystal structures tend to have lower energies than non-crystalline materials due to efficient packing of atoms.
The document discusses the structure of crystalline solids and how atoms are packed together. There are three main packing structures for metallic crystals: simple cubic, body centered cubic, and face centered cubic. The face centered cubic structure has the highest atomic packing factor and density. The density of a material depends on its crystal structure and packing efficiency. Ordered crystal structures tend to have lower energies than non-crystalline materials due to efficient packing of atoms.
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The Structure of Crystalline Solids
ISSUES TO ADDRESS...
• How do atoms assemble into solid structures?
• How does the density of a material depend on
its structure?
• When do material properties vary with the
sample (i.e., part) orientation? 1 Energy and Packing • Non dense, random packing Energy
typical neighbor bond length
typical neighbor r bond energy
• Dense, ordered packing Energy
typical neighbor bond length
typical neighbor r bond energy
Dense, ordered packed structures tend to have
2 lower energies. Materials and Packing Crystalline materials... • atoms pack in periodic, 3D arrays • typical of: -metals -many ceramics -some polymers crystalline SiO2 Adapted from Fig. 3.23(a), Callister & Rethwisch 8e.
Si Oxygen Noncrystalline materials... • atoms have no periodic packing • occurs for: -complex structures -rapid cooling "Amorphous" = Noncrystalline noncrystalline SiO2 Adapted from Fig. 3.23(b), Callister & Rethwisch 8e.3 • How can Metallic we stack metal atoms to minimize empty Crystal Structures space? 2-dimensions
vs.
Now stack these 2-D layers to make 3-D structures
4 Metallic Crystal Structures • Tend to be densely packed. • Reasons for dense packing: - Typically, only one element is present, so all atomic radii are the same. - Metallic bonding is not directional. - Nearest neighbor distances tend to be small in order to lower bond energy. - Electron cloud shields cores from each other • Have the simplest crystal structures. We will examine three such structures...
5 Simple Cubic Structure (SC) • Rare due to low packing density (only Po has this structure) • Close-packed directions are cube edges.
• Coordination # = 6 (# nearest neighbors)
Click once on image to start animation
(Courtesy P.M. Anderson)
6 Atomic Packing Factor (APF) Volume of atoms in unit cell* APF = Volume of unit cell *assume hard spheres • APF for a simple cubic structure = 0.52 volume atoms atom a 4 unit cell 1 (0.5a) 3 3 R=0.5a APF = a3 volume close-packed directions unit cell contains 8 x 1/8 = 1 atom/unit cell 7 Adapted from Fig. 3.24, Callister & Rethwisch 8e. Body Centered Cubic Structure (BCC) • Atoms touch each other along cube diagonals. --Note: All atoms are identical; the center atom is shaded differently only for ease of viewing.
ex: Cr, W, Fe (), Tantalum, Molybdenum
• Coordination # = 8
Adapted from Fig. 3.2,
Click once on image to start animation Callister & Rethwisch 8e. (Courtesy P.M. Anderson) 2 atoms/unit cell: 1 center + 8 corners x8 1/8 Atomic Packing Factor: BCC • APF for a body-centered cubic structure = 0.68 3a
2a
Close-packed directions: Adapted from R length = 4R = 3 a Fig. 3.2(a), Callister & Rethwisch 8e. a atoms volume 4 unit cell 2 ( 3a/4) 3 3 atom APF = 3 volume a 9
unit cell Face Centered Cubic Structure (FCC) • Atoms touch each other along face diagonals. --Note: All atoms are identical; the face-centered atoms are shaded differently only for ease of viewing.
ex: Al, Cu, Au, Pb, Ni, Pt, Ag
• Coordination # = 12
Adapted from Fig. 3.1, Callister & Rethwisch 8e.
Click once on image to start animation (Courtesy P.M. Anderson) 4 atoms/unit cell: 6 face x 1/2 + 8 corners 10 x 1/8 Atomic Packing Factor: FCC • APF for a face-centered cubic structure = 0.74 maximum achievable APF Close-packed directions: length = 4R = 2 a 2a Unit cell contains: 6 x 1/2 + 8 x 1/8 = 4 atoms/unit cell a Adapted from Fig. 3.1(a), Callister & atoms volume Rethwisch 8e. 4 3 unit cell 4 ( 2a/4) 3 atom APF = 3 volume a 11 unit cell FCC Stacking Sequence • ABCABC... Stacking Sequence • 2D Projection B B C A A sites B B B C C B sites B B C sites
a Adapted from Fig. 3.3(a), Callister & Rethwisch 8e.
• Coordination # = 12 6 atoms/unit cell
• APF = 0.74 ex: Cd, Mg, Ti, Zn 13
• c/a = 1.633 Theoretical Density, Mass of Atoms in Unit Cell Density = = Total Volume of Unit Cell
nA = VC NA
where n = number of atoms/unit cell
A = atomic weight VC = Volume of unit cell = a3 for cubic NA = Avogadro’s number = 6.022 x 1023 atoms/mol 14 Theoretical Density, • Ex: Cr (BCC) A = 52.00 g/mol R = 0.125 nm n = 2 atoms/unit cell R Adapted from a a = 4R/ 3 = 0.2887 nm Fig. 3.2(a), Callister & Rethwisch 8e. atoms g unit cell 2 52.00 theoretical = 7.18 g/cm3 mol = actual = 7.19 g/cm3 a3 6.022 x 1023 volume atoms 15
unit cell mol
In general Metals/ Graphite/ Composites/ metals > ceramics > polymers Ceramics/ Polymers
Why? Densities of Material Classes 30 Alloys Semicond fibers
Based on data in Table B1, Callister
Platinum *GFRE, CFRE, & AFRE are Glass, 20 Gold, W Metals have... Tantalum Carbon, & Aramid Fiber-Reinforced Epoxy composites (values based on • close-packing 60% volume fraction of aligned fibers 10 Silver, Mo in an epoxy matrix). (metallic bonding) Cu,Ni Steels • often large atomic masses Tin, Zinc Zirconia
(g/cm3 ) 5 Ceramics have... 4 Titanium Al oxide Diamond • less dense packing 3 Si nitride Aluminum Glass -soda Glass fibers • often lighter elements Concrete Silicon PTFE GFRE* 2 Polymers have... Magnesium Graphite Silicone Carbon fibers CFRE* Aramid fibers PVC • low packing density PET PC AFRE* 1 (often amorphous) HDPE, PS PP, LDPE • lighter elements (C,H,O) 0.5 Composites have... 0.4 Wood
• intermediate values 0.3 16
Data from Table B.1, Callister & Rethwisch, 8e. Crystals as Building Blocks • Some engineering applications require single crystals: -- diamond single -- turbine blades crystals for abrasives Fig. 8.33(c), Callister & Rethwisch 8e. (Fig. 8.33(c) (Courtesy Martin Deakins, courtesy of Pratt and GE Superabrasives, Whitney). Worthington, OH. Used with permission.)
• Properties of crystalline materials
often related to crystal structure. -- Ex: Quartz fractures more easily
along some crystal planes than
others. (Courtesy P.M. Anderson)
17 Polycrystals Anisotropic • Most engineering materials are polycrystals.
Adapted from Fig. K,
color inset pages of Callister 5e. (Fig. K is courtesy of Paul E. Danielson, Teledyne Wah Chang Albany) 1 mm
• Nb-Hf-W plate with an electron beam weld. Isotropic
• Each "grain" is a single crystal. • If grains are randomly oriented, overall component properties are not directional. • Grain sizes typically range from 1 nm to 2 cm 18 (i.e., from a few to millions of atomic layers). Single vs Polycrystals • Single Crystals E (diagonal) = 273 GPa Data from Table 3.3, -Properties vary with Callister & Rethwisch 8e. (Source of data is direction: anisotropic. R.W. Hertzberg, Deformation and -Example: the modulus Fracture Mechanics of Engineering Materials, of elasticity (E) in BCC iron: 3rd ed., John Wiley and Sons, 1989.)
E (edge) = 125 GPa
• Polycrystals -Properties may/may not 200 m Adapted from Fig. 4.14(b), Callister & vary with direction. Rethwisch 8e. (Fig. 4.14(b) is courtesy -If grains are randomly of L.C. Smith and C. Brady, the National oriented: isotropic. Bureau of Standards, Washington, DC [now (Epoly iron = 210 GPa) the National Institute of -If grains are textured, Standards and Technology, anisotropic. Gaithersburg, MD].) 19 • Two or more distinct crystal structures for the same Polymorphism material (allotropy/polymorphism) iron system titanium liquid , -Ti 1538ºC BCC -Fe carbon 1394ºC diamond, graphite FCC -Fe 912ºC BCC -Fe 20 X-Ray Diffraction
• Diffraction gratings must have spacings comparable to the
wavelength of diffracted radiation. • Can’t resolve spacings • Spacing is the distance between parallel planes of atoms. 21 z z z c X-Ray Diffraction c Pattern c
y (110) y y a b a b a b Intensity (relative)
x x x (211)
(200)
Diffraction angle 2
Diffraction pattern for polycrystalline -iron (BCC)
Adapted from Fig. 3.22, Callister 8e. 22 SUMMARY • Atoms may assemble into crystalline or amorphous structures. • Common metallic crystal structures are FCC, BCC, and
HCP. Coordination number and atomic packing factor
are the same for both FCC and HCP crystal structures. • We can predict the density of a material, provided we know the atomic weight, atomic radius, and crystal geometry (e.g., FCC, BCC, HCP). • Crystallographic points, directions and planes are specified in terms of indexing schemes. Crystallographic directions and planes are related to atomic linear densities and planar densities. 23 SUMMARY
• Materials can be single crystals or polycrystalline.
Material properties generally vary with single crystal orientation (i.e., they are anisotropic), but are generally non-directional (i.e., they are isotropic) in polycrystals with randomly oriented grains. • Some materials can have more than one crystal structure. This is referred to as polymorphism (or allotropy). • X-ray diffraction is used for crystal structure and interplanar spacing determinations.
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