The scientific interest in the simple-liquids is additionally justified because of the fact that the form of one of the most popular pair-wise potentials, i.e., Lennard Jones (LJ) potential, is theoretically derived on the base of interaction occurring between real molecules. Consequently, the molecular dynamics simulations of so-called simple-liquids (i.e., systems composed of many particles interacting via radially symmetric pair potential) have been commonly employed.
Therefore the computational techniques, which enable precise parameterization of intermolecular interactions, seems to be ideal method to study the crystallization process on the most fundamental level. Intuitively, the reasons for different crystallization behavior of the molecular liquids are looking for within intermolecular interactions similarly as they affect numerous of the structural and dynamic features of the viscous liquids 6, 7, 8. Therefore the determination of the physical quantities which favor or impede the crystallization is recognized as one of the most critical tasks for the contemporary condensed matter physics, which furthermore is expected to provide many industrial benefits 1, 2, 3, 4, 5. It is due to that the both mentioned process are inherently related phenomena because appropriate suppression of the crystallization during cooling is a way to obtain the supercooled liquid and subsequently the amorphous solid. A discussed possibility of the occurrence of two mentioned and completely different scenarios is one of the main reasons for the actual researches’ fascination with the solidification. However, if the change of temperature is fast enough, the crystallization can be omitted, and after cooling to the glass transition temperature, supercooled liquid transforms into the amorphous solid, which exhibits lack of the atomic order. The liquid may form the crystal, which is characterized by long-range order of the atomic structure. Using this protocol two different solid can be produced. Cooling of any liquid results in its solidification.
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