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There are two main descriptions of motion: dynamics and kinematics.Dynamics is general, since the momenta, forces and energy of the particles are taken into account. In this instance, sometimes the term dynamics refers to the differential equations that the system satisfies (e.g., Newton's second law or Euler–Lagrange equations), and sometimes to the solutions to those equations.
A molecular dynamics simulation requires the definition of a potential function, or a description of the terms by which the particles in the simulation will interact. In chemistry and biology this is usually referred to as a force field and in materials physics as an interatomic potential.
In physics, transport phenomena are all irreversible processes of statistical nature stemming from the random continuous motion of molecules, mostly observed in fluids. Every aspect of transport phenomena is grounded in two primary concepts : the conservation laws, and the constitutive equations.
The Newton and the Schrödinger equations in the absence of the macroscopic magnetic fields and in the inertial frame of reference are T-invariant: if X(t) is a solution then X(-t) is also a solution (here X is the vector of all dynamic variables, including all the coordinates of particles for the Newton equations and the wave function in the configuration space for the Schrödinger equation).
In physics, Brownian dynamics is a mathematical approach for describing the dynamics of molecular systems in the diffusive regime. It is a simplified version of Langevin dynamics and corresponds to the limit where no average acceleration takes place. This approximation is also known as overdamped Langevin dynamics or as Langevin dynamics ...
In chemistry, a dynamic equilibrium exists once a reversible reaction occurs. Substances transition between the reactants and products at equal rates , meaning there is no net change. Reactants and products are formed at such a rate that the concentration of neither changes.
When differential equations are employed, the theory is called continuous dynamical systems. From a physical point of view, continuous dynamical systems is a generalization of classical mechanics, a generalization where the equations of motion are postulated directly and are not constrained to be Euler–Lagrange equations of a least action ...
In addition to electronic quantum states, molecules have internal degrees of freedom corresponding to rotational and vibrational motion. At appreciable temperatures, many of these new motional modes are excited, resulting in constant motion as seen above. Molecular physics is the study of the physical properties of molecules and molecular dynamics.