Browsing Exact and Earth Sciences by Author "Torres, Evy Augusto Salcedo"
Now showing items 1-12 of 12
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Core-softened fluids, water-like anomalies, and the liquid-liquid critical points
(2011) [Journal article]Molecular dynamics simulations are used to examine the relationship between water-like anomalies and the liquid-liquid critical point in a family of model fluids with multi-Gaussian, core-softened pair interactions. The ... -
Effects of the attractive interactions in the thermodynamic, dynamic, and structural anomalies of a two length scale potential
(2010) [Journal article]Using molecular dynamic simulations, we study a system of particles interacting through a continuous core-softened potentials consisting of a hard core, a shoulder at closest distances, and an attractive well at further ... -
Entropy, diffusivity and the energy landscape of a waterlike fluid
(2010) [Journal article]Molecular dynamics simulations and instantaneous normal mode (INM) analysis of a fluid with core-softened pair interactions and waterlike liquid-state anomalies are performed to obtain an understanding of the relationship ... -
Multiple liquid-liquid critical points and density anomaly in core-softened potentials
(2013) [Journal article]The relation between liquid-liquid phase transitions andwaterlike density anomalies in core-softened potentials of fluids was investigated in an exactly solvable one-dimensional lattice model and in a three-dimensional ... -
Nanoscale sliding friction versus commensuration ratio : molecular dynamics simulations
(2006) [Journal article]The pioneer work of Krim and Widom [Phys. Rev. B 38, 12184 (1988)] unveiled the origin of the viscous nature of friction at the atomic scale. This generated extensive experimental and theoretical activity. However, fundamental ... -
Propagation of transverse domain walls in homogeneous magnetic nanowires
(2008) [Journal article]The field driven nucleation and propagation of transverse domain walls in a uniform Ni nanowire is examined by means of Monte Carlo simulations combined with a scaling technique. Simulations show a nonlinear behavior ... -
Relation between boundary slip mechanisms and waterlike fluid behavior
(2018) [Journal article]The slip of a fluid layer in contact with a solid confining surface is investigated for different temperatures and densities using molecular dynamic simulations. We show that for an anomalous waterlike fluid the slip goes ... -
Relation between occupation in the first coordination shells and widom line in core-softened potentials
(2013) [Journal article]Three core-softened families of potentials are checked for the presence of density and diffusion anomalies. These potentials exhibit a repulsive core with a softening region and at larger distances an attractive well. We ... -
Thermodynamic, dynamic, and structural anomalies for shoulderlike potentials
(2009) [Journal article]Using molecular dynamic simulations we study a family of continuous core-softened potentials consisting of a hard core, a shoulder at closest distances, and an attractive well at further distance. The repulsive shoulder ... -
Thermodynamic, dynamic, structural, and excess entropy anomalies for core-softened potentials
(2011) [Journal article]Using molecular dynamic simulations, we study three families of continuous core-softened potentials consisting of two length scales: a shoulder scale and an attractive scale. All the families have the same slope between ... -
Water diffusion in carbon nanotubes : Interplay between confinement, surface deformation, and temperature
(2020) [Journal article]In this article, we investigate, through molecular dynamics simulations, the diffusion behavior of the TIP4P/2005 water confined in pristine and deformed carbon nanotubes (armchair and zigzag). To analyze different diffusive ... -
Water diffusion in rough carbon nanotubes
(2020) [Journal article]We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotubes with different degrees of deformation at 300 K. We found that the number of hydrogen bonds that water forms depends on ...
