# Lennard-Jones Molecular Dynamics

Interactive Lennard-Jones molecular dynamics simulation: observe phase transitions, crystallization, and gas-liquid-solid behavior by tuning temperature and interaction parameters

> Canonical page: https://elysiatools.com/en/visualizations/lennard-jones-md

- **Category:** Chemistry

## Overview

Interactive 2D molecular dynamics simulation using the Lennard-Jones potential V(r) = 4ε[(σ/r)¹² - (σ/r)⁶]. Features Velocity Verlet integrator, Berendsen thermostat, periodic boundary conditions, and minimum image convention. Adjustable parameters: temperature T (0.01-3.0), well depth ε (0.1-3.0), atomic radius σ (0.5-2.0), particle count N (30-200). Four phase presets: Crystal (low T, hexagonal lattice), Liquid (moderate T, flowing), Gas (high T, free motion), Freeze (rapid quench to glass). Display options: bonds, velocity arrows, trails, potential curve. Real-time thermodynamic statistics: measured temperature, pressure (virial), kinetic and potential energy. Bottom canvas shows the LJ potential V(r) with equilibrium distance marker. Particles colored by kinetic energy (blue=cold, red=hot). Educational content covers LJ potential theory (Pauli repulsion, van der Waals attraction), phase transitions (triple point T*≈0.694, critical point T*≈1.326), applications (materials science, protein folding, drug design, nanotechnology). Multi-language support (zh, en, es, fr, de, ru, pt).

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