Atomic Structure and Interatomic Bonding

Flashcards covering vocabulary and key concepts in atomic structure, interatomic bonding, properties, and behaviors based on the lecture notes.

Atomic number (Z)

For a chemical element, the number of protons within the atomic nucleus.

Isotope

Atoms of the same element that have different atomic masses.

Atomic weight (A)

The weighted average of the atomic masses of an atom's naturally occurring isotopes. It may be expressed in terms of atomic mass units (on an atomic basis), or the mass per mole of atoms.

Atomic mass unit (amu)

A measure of atomic mass; 1/12 of the mass of an atom of $^{12}C$.

Mole

The quantity of a substance corresponding to $6.022\cdot10^{23}$ atoms or molecules.

Quantum mechanics

A branch of physics that deals with atomic and subatomic systems; allows only discrete values of energy.By contrast,for classical mechanics, continuous energy values are permissible.

Bohr atomic model

An early atomic model in which electrons revolve around the nucleus in discrete orbitals.

Wave mechanical model

An atomic model treating electrons as wavelike.

Quantum number

A set of four numbers used to label possible electron states. Three of the quantum numbers are integers that specify the size, shape, and spatial orientation of an electron’s probability density; the fourth number designates spin orientation.

Pauli exclusion principle

The postulate that at most two electrons can occupy the same state with opposite spins.

Electron state (level)

One of a set of discrete, quantized energies that are allowed for electrons. In the atomic case, each state is specified by four quantum numbers.

Ground state

A normally filled electron energy state from which an electron excitation may occur.

Electron configuration

The manner in which possible electron states are filled with electrons in an atom.

Valence electron

The electrons in the outermost occupied electron shell participating in interatomic bonding.

Periodic table

The arrangement of chemical elements by increasing atomic number, reflecting periodic variation in electron structure. Nonmetallic elements are positioned at the far right-hand side of the table.

Electropositive

An atom having a tendency to release valence electrons, typically metallic elements.

Electronegative

An atom's tendency to accept valence electrons, typically nonmetallic elements.

Bonding energy

The energy required to separate two atoms that are chemically bonded. It may be expressed on a per-atom basis or per mole of atoms.

Primary bonds

Interatomic bonds that are relatively strong; types include ionic, covalent, and metallic.

Ionic bond

A coulombic interatomic bond between two adjacent and oppositely charged ions.

Coulombic force

A force between charged particles, attractive for opposite charges.

Covalent bond

A primary interatomic bond involving the nondirectional sharing of nonlocalized valence electrons (“sea of electrons”) that are mutually shared by all the atoms in the metallic solid.

Metallic bond

A primary bond involving nondirectional sharing of nonlocalized valence electrons.

Secondary bonds

Interatomic and intermolecular bonds that are relatively weak and for which bonding energies are relatively small. Normally, atomic or molecular dipoles are involved. Examples of secondary bonding types are van der Waals forces and hydrogen bonding.

Van der Waals bond

A secondary interatomic bond between adjacent molecular dipoles that may be permanent or induced.

Dipole (electric)

A pair of equal and opposite electrical charges separated by a small distance.

Hydrogen bond

A strong secondary interatomic bond between a bound hydrogen atom (its unscreened proton) and the electrons of adjacent atoms.

Polar molecule

A molecule with a permanent electric dipole moment due to unequal charge distribution.

Face-centered cubic (FCC)

A crystal structure in some common elemental metals where atoms are at all corners and face-centered positions.

Crystalline

A solid characterized by a periodic and repeating three-dimensional array of atoms, ions, or molecules.

Unit cell

The basic structural unit of a crystal structure, defined by atom (or ion) positions within a parallelepiped volume.

Coordination number

The number of nearest neighbors to an atomic or ionic site.

Atomic packing factor (APF)

The fraction of unit cell volume occupied by hard-sphere atoms or ions.

Polymorphism

The ability of a solid to exist in more than one form or crystal structure.

Allotropy

The existence of two or more different crystal structures for the same substance.

Microstructure

The structural features of an alloy observed under a microscope.

Diffusion

Mass transport by atomic motion.

Elastic deformation

Deformation that is nonpermanent and recovers upon stress release.

Plastic deformation

Deformation that is permanent or nonrecoverable after release of the applied load. It is accompanied by permanent atomic displacements.

Yield strength (σ_y)

The stress required to produce a specified amount of plastic strain; a strain offset of 0.002 is commonly used.

Fracture toughness (K_c)

The measure of a material's resistance to fracture when a crack is present.

Corrosion

The deteriorative loss of a metal due to environmental reactions.

Thermal conductivity (k)

For steady-state heat flow, the proportionality constant is between the heat flux and the temperature gradient. Also, a parameter characterizing the ability of a material to conduct heat.

crystal structure

For crystalline materials, the manner in which atoms or ions are arrayed in space. It is defined in terms of the unit cell geometry and the atom positions within the unit cell.

lattice

The regular geometrical arrangement of points in crystal space

body-centered cubic (BCC)

A common crystal structure found in some elemental metals. Within the cubic unit cell, atoms are located at corner and cell center positions.

hexagonal close-packed (HCP)

A crystal structure found for some metals.The HCP unit cell is of hexagonal geometry and is generated by the stacking of close-packed planes of atoms.

lattice parameters

The combination of unit cell edge lengths and interaxial angles that defines the unit cell geometry.

crystal system

A scheme by which crystal structures are classified according to unit cell geometry. This geometry is specified in terms of the relationships between edge lengths and interaxial angles. There are seven different crystal systems.

miller indices

a set of three integers (four for hexagonal) that designate crystallographic planes, as determined from reciprocals of fractional axial intercepts.

single crystal

a crystalline solid for which the periodic and repeated atomic pattern extends throughout its entirety without interruption.

grain

An individual crystal in a polycrystalline metal or ceramic.

polycrystalline

Crystalline materials composed of more than one crystal or grain.

grain boundary

The interface separating two adjoining grains having different crystallographic orientations.

anisotropic

Exhibiting different values of a property in different crystallographic directions.

isotropic

Having identical values of a property in all crystallographic directions.

diffraction (x-ray)

Constructive interference of x-ray beams scattered by atoms of a crystal.

Bragg's law

A relationship that stipulates the condition for diffraction by a set of crystallographic planes

noncrystalline

The solid state in which there is no long-range atomic order. Sometimes the terms amorphous, glassy, and vitreous are used synonymously.

amorphous

having a noncrystalline structure

imperfections

a deviation from perfection; normally applied to crystalline materials in which there is a deviation from atomic/molecular order and/or continuity.

point defect

a crystalline defect associated with one or, at most, several atomic sites.

vacancy

A normally occupied lattice site from which an atom or ion is missing.

Boltzmann's constant(\\(k\\))

A thermal energy constant having the value of $1.38\cdot10^{-23}$

J/atom* K $8.62\cdot10^{-5}$ eV/atom*K

self-interstitial

a host atom or ion position on an interstitial lattice site

alloy

A metallic substance that is composed of two or more elements.

solid solution

A homogeneous crystalline phase that contains two or more chemical species. Both substitutional and interstitial solid solutions are possible.

solute

One component or element of a solution present in a minorconcentration. It is dissolved in the solvent.

solvent

The component of a solution present in the greatest amount. It is the component that dissolves a solute.

substitutional solid solution

A solid solution in which the solute atoms replace or substitute for the host atoms.

interstitial solid solution

a solid solution in which relatively small solute atoms occupy interstitial positions between the solvent or host atoms.

composition

The relative content of a particular element or constituent within an alloy, usually expressed in weight percent or atom percent.

weight percent (wt%)

A concentration specification on the basis of weight(or mass) of a particular element relative to the total alloy weight (or mass).

atom percent (at%)

A concentration specification on the basis of the number of moles (or atoms) of a particular element relative to the total number of moles (or atoms) of all elements within an alloy.

edge dislocation

A linear crystalline defect associated with the lattice distortion produced in the vicinity of the end of an extra half-plane of atoms within a crystal. The Burgers vector is perpendicular to the dislocation line.

dislocation line

The line that extends along the end of the extra half-plane of atoms for an edge dislocation and along the center of the spiral of a screw dislocation.

screw dislocation

a linear crystalline defect associated with the lattice distortion created when normally parallel planes are joined together to form a helical ramp. The Burgers vector is parallel to the dislocation line.

mixed dislocation

A dislocation that has both edge and screw components.

Burgers vector (b)

A vector that denotes the magnitude and direction of lattice distortion associated with a dislocation.

atomic vibration

The vibration of an atom about its normal position in a substance.

microscopy

The investigation of microstructural elements using some type of microscope.

photomicrograph

A photograph made with a microscope that records a microstructural image.

transmission electron microscope (TEM)

A microscope that produces an image by using electron beams that are

transmitted (pass through) the specimen. Examination of internal features at high magnification is possible.

scanning electron microscope (SEM)

A microscope that produces an image by using an electron beam that scans the surface of a specimen; an image is produced by reflected electron beams. Examination of surface and/or microstructural features at high magnifications is possible.

scanning probe microscope (SPM)

A microscope that does not produce an image using light radiation. Rather, a very small and sharp probe raster-scans across the specimen surface; out-of-surface plane deflections in response to electronic or other interactions with the probe are monitored, from which a topographical map of the specimen surface (on a nanometer scale) is produced.

grain size

The average grain diameter as determined from a randomcross section.

interdiffusion

Diffusion of atoms of one metal into another metal.

self-diffusion

Atomic migration in pure metals.

vacancy diffusion

The diffusion mechanism in which net atomic migration is from a lattice site to an adjacent vacancy

interstitial diffusion

A diffusion mechanism by which atomic motion is from an interstitial site to another interstitial site

diffusion flux

The quantity of mass diffusing through and perpendicular to a unit cross-sectional area of material per unit time.

Frick’s first law

The diffusion flux is proportional to the concentration gradient. This relationship is used for steady-state diffusion situations.

Diffusion coefficient

The constant of proportionality between the diffusion flux and the concentration gradient in Fick's first law. Its magnitude is indicative of the rate of atomic diffusion.

steady-state diffusion

The diffusion condition for which there is no net accumulation or depletion of diffusing species. The diffusion flux is independent of time.

concentration profile

The curve that results when the concentration of a chemical species is plotted versus position in a material.

concentration gradient

The slope of the concentration profile at a specific position.

driving force

The impetus behind a reaction, such as diffusion, grain growth, or a phase transformation. Usually attendant to the reaction is a reduction in some type of energy (e.g., free energy).

nonsteady-state diffusion

The diffusion condition for which there is some net accumulation or depletion of diffusing species. The diffusion flux is dependent on time.

Fick's second law

The time rate of change of concentration is proportional to the second derivative of concentration. This relationship is used in non-steady-state diffusion situations.

carburizing

The process by which the surface carbon concentration of a ferrous alloy is increased by diffusion from the surrounding environment.