Materials Science 101
01 Structure
Chapter 02

Atomic Structure

Standing Waves · Orbital Shapes · Quantum Numbers · Electron Configuration

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Mode n =

Energy Quantisation (log₂ n scale)

🎸 Vibrating String

Only discrete standing-wave modes persist on a plucked string. Fixed endpoints require an integer number of half-wavelengths:

λₙ = 2Ln  ·  Eₙ ∝ n²

Energy is therefore quantised — only specific values are permitted. The integer n is a mode index.

⚛ Schrödinger Equation

An electron bound to a nucleus obeys a 3-D wave equation. Atomic orbitals are the 3-D standing-wave solutions confined by the Coulomb potential:

Ĥψ = Eψ

The quantum numbers n, ℓ, m are the 3-D mode indices. Each unique triple defines one orbital "mode shape."

Mode n = 1 — Analogy

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s Block — ℓ = 0

ℓ (azimuthal)
0
m range
{ 0 }
Orbitals
1
Max e⁻
2
Angular nodes
0

Why These Orientations?

Phase & Axis Legend

Blue — positive phase (ψ > 0)

Orange — negative phase (ψ < 0)

Axes: x (red) · y (green) · z (blue)

1PROTONS
H
Hydrogen
Z = 1

Electron Configuration

Cr & Cu anomalies included · toggle for noble gas notation

Filling Principles

Aufbau Lowest-energy subshells first: 1s → 2s → 2p → 3s → 3p → 4s → 3d → 4p

Pauli Max 2 electrons per orbital, opposite spins (↑↓)

Hund Half-fill all orbitals in a subshell with ↑ before any pairing

Bohr shell model

Outermost Subshell

s-block
1s

Subshell Energy Levels — Aufbau order

0 / 0 e⁻
Two atoms · arrows = net force
r r₀ (equilibrium)
EQUILIBRIUM · F = 0

Two Competing Forces

Every pair of neighboring atoms feels both a short-range repulsion (electron clouds resist overlap — Pauli exclusion) and a longer-range attraction (Coulombic / van der Waals / shared electrons).

At a unique distance r₀ these forces cancel exactly. That balance point is the equilibrium bond length — and the energy reaches its minimum, −Ebond.

Lennard-Jones Potential (12-6 model)

E(r) = 4ε [ σ12r12σ6r6 ]

The r−12 term dominates at short range → steep repulsive wall. The r−6 term dominates at long range → gentle attractive tail. Minimum at r₀ = 21/6 σ ≈ 1.122 σ.

Force = −dU/dr

F(r) = 24εr [ 2(σr)12 − (σr)6 ]

The slope of the energy curve is the force. Where the curve is flat (r = r₀) the force is zero. Where the curve dives steeply, the force is large.

Why the Asymmetry Matters

The repulsive wall (r < r₀) is much steeper than the attractive tail (r > r₀). Push the atoms closer → huge restoring force, they snap back. Pull them apart → only a mild pull, they drift back slowly (no sudden bounce). This is why solids resist compression strongly but stretch more readily — and why they ultimately break in tension once r exceeds the inflection point.