MD Simulation of Structural Transition in Lennard-Jones Melts
Source abstract
Abstract
The structural and thermodynamical properties of Lennard-Jones melts were investigated by the molecular dynamical simulation during heating and cooling process. Reduced potential increased with reduced temperature.The structure transition was found at reduced temperature 0.51 during cooling. The atom configuration of the system was randomly arranged and the first peak of the pair distribution function varied between 4 and 5 in the process of heating. The model system gradually evolved into a structure with the long range order in the process of cooling as indicated by the data from the atom configuration and pair distribution function of the system.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: nanoparticles nucleation surface interactions · Material Dynamics and Properties
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