Molecular dynamics

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Start from a molten salt and change anything, including drawing your own potential.

TemperatureK

Particles

Fraction Na⁺

– Na⁺–Na⁺

ε (well depth)eV

σ (size)Å

– Cl⁻–Cl⁻

ε (well depth)eV

σ (size)Å

– Na⁺–Cl⁻

Combining rules

ε = √(ε₁ε₂) = 0.150 eV · σ = (σ₁ + σ₂)/2 = 2.93 Å

Coulomb strength×

CutoffÅ

Thermostat

Time stepfs

Steps per frame

20 fs simulated per frame

Label, charge (e) and colour.

Particle size

Neighbour-list cellsInteracting pairsCutoff radius

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Software

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