Adiabatic limit collapse and local interaction effects in non-linear active microrheology molecular simulations of two-dimensional fluids

• Published in: Soft matter Vol. 19; no. 28; pp. 5288 - 5299
• Main Authors: Munguía-Valadez, J, Ledesma-Durán, A, Moreno-Razo, J. A, Santamaría-Holek, I
• Format: Journal Article
• Language: English
• Published: England Royal Society of Chemistry 19.07.2023
• Subjects: Adiabatic; Diffusion theory; Mobility; Molecular dynamics; Tracer particles; Transport properties; Velocity; Velocity distribution
• ISSN: 1744-683X; 1744-6848
• DOI: 10.1039/d3sm00358b

Nonlinear active microrheology molecular dynamics simulations of high-density two-dimensional fluids show that the presence of strong confining forces and an external pulling force induces a correlation between the velocity and position dynamics of the tracer particle. This correlation manifests in the form of an effective temperature and an effective mobility of the tracer particle, which is responsible for the breaking of the equilibrium fluctuation-dissipation theorem. This fact is shown by measuring the tracer particle's temperature and mobility directly from the first two moments of the velocity distribution of a tracer particle and by formulating a diffusion theory in which effective thermal and transport properties are decoupled from the velocity dynamics. Furthermore, the flexibility of the attractive and repulsive forces in the tested interaction potentials allowed us to relate the temperature and mobility behaviors to the nature of the interactions and the structure of the surrounding fluid as a function of the pulling force. These results provide a refreshing physical interpretation of the phenomena observed in non-linear active microrheology. MD simulations of high-density fluids show that strong external and confining forces induce a correlation between velocity and position coordinates and the modification of the fluctuation-dissipation theorem through an effective temperature.