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Biomedical subjects

J A Padró

Publications and source records attributed to J A Padró.

5 recordsLinked to original sources
PubMed2001

Molecular dynamics study of the longitudinal modes in disparate-mass binary liquid mixtures.

A series of molecular dynamics simulations of simple liquid binary mixtures of soft spheres with disparate-mass particles were carried out to investigate the origin of the marked differences between the dynamic structure factors of some liquid binary mixtures such as the Li0.7Mg0.3 and Li0.8Pb0.2 alloys. It is shown that the facility for observing peaks associated with fast-propagating modes in the partial Li-Li dynamic structure factor of Li0.8Pb0.2 should be mainly attributed to the structure of this alloy, which is characterized by an incipient ABAB ordering as found in molten salts. The longitudinal dispersion relations at intermediate wave vectors obtained from the longitudinal current spectra are very similar for the two alloys and reflect the existence of both fast-and slow-propagating modes of kinetic character associated with light and heavy particles, respectively. The influence of the hardness of the repulsive potential cores as well as the composition of the mixture on the longitudinal collective modes is also discussed.

Journal Article↗
PubMed2000

Self-dynamic structure factor of dense liquids: theory and simulation.

The self-intermediate dynamic structure factor Fs(k,t) of liquid lithium near the melting temperature is calculated by molecular dynamics. The results are compared with the predictions of several theoretical approaches, paying special attention to the Lovesey model and the Wahnström and Sjögren mode-coupling theory. To this end the results for the Fs(k,t) second memory function predicted by both models are compared with the ones calculated from the simulations.

Journal Article↗
PubMed1999

Dynamic properties of Lennard-Jones fluids and liquid metals.

The dependence of the dynamic properties of liquid metals and Lennard-Jones fluids on the characteristics of the interaction potentials is analyzed. Molecular-dynamics simulations of liquids in analogous conditions but assuming that their particles interact either through a Lennard-Jones or a liquid-metal potential were carried out. The Lennard-Jones potentials were chosen so that both the effective size of the particles and the depth of the potential well were very close to those of the liquid-metal potentials. In order to investigate the extent to which the dynamic properties of liquids depend on the short-range attractive interactions as well as on the softness of the potential cores, molecular-dynamics simulations of the same systems but assuming purely repulsive interactions with the same potential cores were also performed. The study includes both single-particle dynamic properties, such as the velocity autocorrelation functions, and collective dynamic properties, such as the intermediate scattering functions, the dynamic structure factors, the longitudinal and transverse current correlations, and the transport coefficients.

Journal Article↗
PubMed1986

Monte Carlo simulation program for ecosystems.

A Monte Carlo computer simulation program is designed in order to describe the spatial and time evolution of a population of living individuals under preassigned environmental conditions of energy. The simulation is inspired by previous techniques developed in physics--in particular, in molecular dynamics and simulations of liquids--and it already provides some new insights regarding macroscopic deterministic models in ecology and concerning eventual control of artificial biomass production plants.

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