分子动力学模拟不同纳米粒子在基质的模拟

The ideal-gas equation, which is empirical, describes the behavior of gases by establishing relationships between their macroscopic properties. For example, Charles’ law states that volume and temperature are directly related. Gases, therefore, expand when heated at constant pressure. Although gas laws explain how the macroscopic properties change relative to one another, it does not explain the rationale behind it.

The equation of motion for a single particle can be expanded to encompass a system of particles consisting of n particles. For any arbitrarily chosen particle within this system, the net force acting upon it is the aggregate of both internal and external forces. Extending this principle to all particles within the system results in the equation of motion for the entire assembly.
Internal forces between any pair of particles manifest as collinear pairs of equal magnitude but opposite directions,...

The kinetic model of gases explains the properties of a perfect gas using three main assumptions: molecules move in ceaseless random motion, their size is negligible compared to the distances between them, and they do not interact except during perfectly elastic collisions. The total energy of a gas is the sum of the kinetic energies of all its constituent molecules. The pressure exerted by the gas arises from the continual bombardment of the container walls by billions of colliding molecules.