Molecular Dynamics Study of the Primary Ferrofluid Aggregate Formation

TL;DR

This study uses molecular dynamics simulations to explore phase transitions and self-organization in ferrofluid aggregates, revealing the potential for long-range ordered phases with distinctive shapes and suggesting medical applications.

Contribution

It demonstrates the existence of long-range ordered ferrofluid phases in equilibrium, which had not been previously obtained in direct molecular dynamics simulations.

Findings

Long-range ordered ferrofluid aggregates can form in equilibrium.

Predicted faceted shapes may be observed experimentally.

Crystallized aggregates could have antiviral medical applications.

Abstract

Investigations of the phase transitions and self-organization in the magnetic aggregates are of the fundamental and applied interest. The long-range ordering structures described in the Tom\'anek's systematization (M. Yoon, and D. Tom\'anek, 2010 [1]) are not yet obtained in the direct molecular dynamics simulations. The resulted structures usually are the linear chains or circles, or, else, amorphous (liquid) formations. In the present work, it was shown, that the thermodynamically equilibrium primary ferrofluid aggregate has either the long-range ordered or liquid phase. Due to the unknown steric layer force and other model idealizations, the clear experimental verification of the real equilibrium phase is still required. The predicted long-range ordered (crystallized) phase produces the faceting shape of the primary ferrofluid aggregate, which can be recognized experimentally. The medical (antiviral) application of the crystallized aggregates has been suggested. Dynamic formation of all observed ferrofluid nanostructures conforms to the Tom\'anek's systematization.