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Area of Science:

  • Statistical Mechanics
  • Computational Physics
  • Materials Science

Background:

  • Understanding fluid anomalies is crucial for materials science.
  • Dimeric particles offer a simplified model for complex molecular systems.
  • Core-softened potentials are used to mimic realistic interparticle interactions.

Purpose of the Study:

  • To investigate the impact of dimer elongation and potential softness on fluid structure.
  • To analyze density and structural anomalies in dimeric particle systems.
  • To determine how geometrical and interaction parameters influence anomalous behavior.

Main Methods:

  • Monte Carlo simulations were employed to model the fluid structure.
  • A repulsive inverse-power potential, softened over a specific distance range, was used.
  • Systematic variation of dimer aspect ratio and potential softness was performed.

Main Results:

  • Dimeric fluids exhibited both density and structural anomalies.
  • Increasing dimer aspect ratio progressively hindered these anomalies.
  • Structural anomalies persisted even after density anomalies disappeared.

Conclusions:

  • Dimer elongation and potential softness significantly affect fluid anomalies.
  • Geometrical and interaction parameters are key determinants of anomalous behavior in non-spherical molecular systems.
  • Findings provide insights into the behavior of complex molecular fluids.