57 citations · 347 across the 33 of their papers we have counts for
37 papers
Density-Selected Topological Pathways in the Melting of Single-Particle-Thick Stripes
José Rafael Bordin
The melting of stripe-forming systems involves changes in connectivity that are not fully captured by conventional structural and orientational descriptors. We investigate a two-di…
Activity and Competing Length Scales in an Anomalous Core-Softened Fluid
Davi Felipe Kray Silva, Thiago Puccinelli, Walas Silva-Oliveira +2
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…
Amorphous Radial Frustration and Water-Like Anomalies in a Ramp-Shoulder Fluid
Murilo S. Marques, Lucas Axel R. Santana, Gabriel San R. R. Câmara +1
We investigate the thermodynamic, structural, and dynamic behavior of a three-dimensional coarse-grained ramp-shoulder fluid derived from effective interactions between polymer-gra…
Confinement-controlled chase-escape dynamics
R. G. Rossatto, H. Ariel Alvarez, C. Manuel Carlevaro +1
We investigate a minimal chase-and-escape model on a two-dimensional square lattice with randomly distributed static obstacles, focusing on how geometric disorder controls collecti…
Order-Disorder Transitions and Thermal Pathways in Frustrated 2D Colloidal Crystals
Alexandre Vargas, Thiago Puccinelli, José Rafael Bordin
We employ extensive NPT molecular dynamics simulations to explore the thermal transitions of two-dimensional colloidal crystals interacting via a core-softened potential with compe…
How Soft is Too Soft? Tuning Order and Disorder in Dimeric Core-Soft Colloids with Bond Flexibility
Leandro B. Krott, Davi Felipe Kray Silva, A. de J. Ríos-Roldan +3
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 pot…
Competing Length Scales and Symmetry Frustration Govern Non-Universal Melting in 2D Core-softened Colloidal Crystals
Thiago Puccinelli, Alexandre V. Ilha, José Rafael Bordin
We investigate the melting behavior of two-dimensional colloidal crystals stabilized by a core-softened potential featuring two competing interaction length scales. Using molecular…
Nanoscale Water Behavior and Its Impact on Adsorption: A case study with CNTs and Diclofenac
Patrick R. B. Côrtes, Nicolás A. Loubet, Cintia A. Menéndez +3
Water is a fundamental component of life, playing a critical role in regulating metabolic processes and facilitating the dissolution and transport of essential molecules. However,…
TrajPy: empowering feature engineering for trajectory analysis across domains
Maurício Moreira-Soares, Eduardo Mossmann, Rui D. M. Travasso +1
Trajectories, sequentially measured quantities that form a path, are an important presence in many different fields, from hadronic beams in physics to electrocardiograms in medicin…
Stripes polymorphism and water-like anomaly in hard core-soft corona dumbbells
T. P. O. Nogueira, José Rafael Bordin
In this paper we investigate the phase diagram of a dumbbell model composed of two hard-core soft-corona beads through simulations. This particular system was chosen due to i…
Molecular Modeling of Aquaporins and Artificial Transmembrane Channels: a mini-review and perspective for plants
José Rafael Bordin, Alexandre Vargas Ilha, Patrick Ruam Bredow Côrtes +5
Aquaporins (AQPs) are a family of transmembrane channels that are found from archaea, eubacteria, and fungi kingdoms to plants and animals. These proteins play a major role in wate…
Solid-amorphous transition is related to the waterlike anomalies in a fluid without liquid-liquid phase transition
José Rafael Bordin, Leandro B. Krott
The most accepted origin for the water anomalous behavior is the phase transition between two liquids (LLPT) in the supercooled regime connected to the glassy first order phase tra…
Water inside charged nanoslits: Structure and Dielectric study with a novel water model FAB/
Raúl Fuentes-Azcatl, José Rafael Bordin, Marcia C. Barbosa
In this work, the dielectric behavior of water inside charged nanoslit of graphene is studied to analized the water molecules under electrical confinement; through polarizing the n…
Phase classification using neural networks: application to supercooled, polymorphic core-softened mixtures
Vinicius F. Hernandes, Murilo S. Marques, José R. Bordin
Characterization of phases of soft matter systems is a challenge faced in many physicochemical problems. For polymorphic fluids it is an even greater challenge. Specifically, glass…
Hard core-soft shell particles near repulsive interfaces: interplay between adsorption, aggregation and diffusion
Murilo S. Marques, José Rafael Bordin
The behavior of colloidal particles with a hard core and a soft shell has attracted the attention for researchers in the physical-chemistry interface not only due the large number…
Core-softened water-alcohol mixtures: the solute-size effects
Murilo S. Marques, Vinicius F. Hernandes, Jose Rafael Bordin
In a recent work [\textit{J. Mol. Liq}, 2020, \textbf{320}, 114420], using molecular dynamics simulations and a core-softened potential approach, we have shown that adding a simple…
Competing interactions near the liquid-liquid phase transition of core-softened water/methanol mixtures
Murilo S. Marques, Vinicius Fonseca Hernandes, Enrique Lomba +1
Water is an unique material with a long list of thermodynamic, dynamic and structural anomalies, which are usually attributed to the competition between two characteristic length s…
Structural behavior of a two length scale core-softened fluid in two dimensions
Daniel Souza Cardoso, Vinicius Fonseca Hernandes, Thiago Pulcinelli Orlandi Nogueira +1
2D competitive systems shows a large variety of solid and aggregate patterns, re-entrant fluid phase, a continuous melting as predicted by the KTHNY theory and, in some cases, wate…
Salt parameterization can drastically affect the results from classical atomistic simulations of water desalination by MoS nanopores
João P. K. Abal, José Rafael Bordin, Marcia C. Barbosa
Water scarcity is a reality in our world, and scenarios predicted by leading scientists in this area indicate that it will worsen in the next decades. However, new technologies bas…
Tracer diffusion in crowded solutions of sticky polymers
T. P. O. Nogueira, H. O. Frota, Francesco Piazza +1
Macromolecular diffusion in strongly confined geometries and crowded environments is still to a large extent an open subject in soft matter physics and biology. In this paper, we e…
Waterlike anomalies in hard core-soft shell nanoparticles using a effective potential approach: pinned vs adsorbed polymers
Murilo S. Marques, Thiago P. Nogueira, Marcia C. Barbosa +1
In this work, a two dimensional system of polymer grafted nanoparticles is analyzed using large-scale Langevin Dymanics simulations. Effective core-softened potentials were obtaine…
2D nanoporous membrane for cation removal from water: effects of ionic valence, membrane hydrophobicity and pore size
Mateus Henrique Köhler, José Rafael Bordin, Marcia C. Barbosa
Using molecular dynamic simulations we show that single-layers of molybdenum disulfide (MoS) and graphene can effectively reject ions and allow high water permeability. Solutio…
Waterlike anomalies in a 2D core-softened potential
José Rafael Bordin, Marcia C. Barbosa
We investigate the structural, thermodynamic and dynamic behavior of of a two dimensional core-corona system using Langevin Dynamics simulations. The particles are modeled using a…
Distinct aggregation patterns and fluid porous phase in a 2D model for colloids with competitive interactions
José Rafael Bordin
In this paper we explore the self-assembly patterns in a two dimensional colloidal system using extensive Langevin Dynamics simulations. The pair potential proposed to model the co…