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The minimum total potential energy principle is a fundamental concept used in physics and engineering. It dictates that at low temperatures a structure or body shall deform or displace to a position that (locally) minimizes the total potential energy , with the lost potential energy being converted into kinetic energy (specifically heat).
The Lennard-Jones potential is a simple model that still manages to describe the essential features of interactions between simple atoms and molecules: Two interacting particles repel each other at very close distance, attract each other at moderate distance, and eventually stop interacting at infinite distance, as shown in the Figure.
The principle of minimum energy is essentially a restatement of the second law of thermodynamics. It states that for a closed system, with constant external parameters and entropy, the internal energy will decrease and approach a minimum value at equilibrium. External parameters generally means the volume, but may include other parameters which ...
In particular: (see principle of minimum energy for a derivation) [8] When the entropy S and "external parameters" (e.g. volume) of a closed system are held constant, the internal energy U decreases and reaches a minimum value at equilibrium. This follows from the first and second laws of thermodynamics and is called the principle of minimum ...
It is an approximation of the tendency to the least energy state. [1] Other examples are "what goes up must come down" and "heat goes from hot to cold" (second law of thermodynamics). But these simple descriptions are not derived from laws of physics and in more complicated cases these heuristics will fail to give even approximately correct ...
In the field of computational chemistry, energy minimization (also called energy optimization, geometry minimization, or geometry optimization) is the process of finding an arrangement in space of a collection of atoms where, according to some computational model of chemical bonding, the net inter-atomic force on each atom is acceptably close to zero and the position on the potential energy ...
The uncertainty principle requires every quantum mechanical system to have a fluctuating zero-point energy greater than the minimum of its classical potential well. This results in motion even at absolute zero. For example, liquid helium does not freeze under atmospheric pressure regardless of temperature due to its zero-point energy.
Another class of machine-learned interatomic potential is the Gaussian approximation potential (GAP), [87] [88] [89] which combines compact descriptors of local atomic environments [90] with Gaussian process regression [91] to machine learn the potential energy surface of a given system.