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Davi Felipe Kray Silva

Publications and source records attributed to Davi Felipe Kray Silva.

2 recordsLinked to original sources

Activity and Competing Length Scales in an Anomalous Core-Softened Fluid

The interplay between activity and competing interaction length scales remains largely unexplored, despite its relevance to many soft and biological systems. Here, we study Active Brownian Particles interacting through a ramp-like core-softened potential that exhibits water-like anomalies in equilibrium. By varying the activity over a broad range of densities along two representative isotherms, one within the anomalous region and the other above it, we examine how self-propulsion modifies the structure and dynamics of the fluid. To gain microscopic insight into these changes, we construct effective interactions from the steady-state pair correlations using iterative Boltzmann inversion. We find that activity progressively suppresses the anomalies of the passive fluid, although signatures of the underlying structural crossover remain visible in normalized quantities. The effective interactions reveal that self-propulsion lowers the distinction between the local environments and facilitates population transfer between the two characteristic length scales. These results indicate that activity primarily acts by facilitating population transfer between the two local environments, thereby reducing the structural competition responsible for the anomalous response.

cond-mat.soft↗

How Soft is Too Soft? Tuning Order and Disorder in Dimeric Core-Soft Colloids with Bond Flexibility

We employ molecular dynamics simulations to explore how internal flexibility affects phase transitions in soft-matter systems composed of dimers interacting via a core-softened potential with two characteristic length scales. Monomers are connected by harmonic springs with varying stiffness, allowing us to tune the dimer rigidity from highly flexible to nearly rigid. Flexible dimers reproduce the behavior of monomeric systems, displaying well-defined BCC and HCP crystalline phases separated by a narrow amorphous region. As the bond stiffness increases, this amorphous phase gives way to a coexistence region between BCC and HCP structures. In the rigid limit, amorphous regions reemerge and expand, and high-density systems fail to crystallize completely, instead forming mixed phases with HCP-like and disordered local environments. This transition arises from geometric frustration: rigid dimers are unable to adjust their internal configuration to optimize local packing, thereby suppressing crystallization and promoting amorphization. Our findings reveal that bond flexibility is a key control parameter governing structural organization in core-softened colloidal and molecular systems, offering insights for the design of tunable soft materials.

cond-mat.soft↗