Μοριακή Προσομοίωση

• Main Authors: Koutselos, Andreas, Κούτσελος, Ανδρέας
• Format: 7
• Language: Greek
• Published: 2016
• Subjects: ΣΤΑΤΙΣΤΙΚΗ ΘΕΡΜΟΔΥΝΑΜΙΚΗ; ΣΤΑΤΙΣΤΙΚΗ ΜΗΧΑΝΙΚΗ; ΔΙΑΚΥΜΑΝΣΕΙΣ; ΣΤΑΤΙΣΤΙΚΑ ΣΥΝΟΛΑ; ΜΗ ΙΔΑΝΙΚΑ ΑΕΡΙΑ; ΜΟΡΙΑΚΗ ΔΥΝΑΜΙΚΗ ΠΡΟΣΟΜΟΙΩΣΗ; Statistical Thermodynamics; Statistical Mechanics; Fluctuations; Statistical Ensembles; Imperfect Gases; Molecular Dynamics Simulation

The molecular motion can be reproduced through integration of the equation of motion of the particles through the use of computers. In this chapter we present the calculation of properties based on the method of molecular dynamics. The procedure produces mean molecular properties correlation and transport properties. The results depend on the interaction potentials, as well as the accuracy and the speed of the calculation methods.