Biomedical subjects

J J Hoyt

Publications and source records attributed to J J Hoyt.

7 recordsLinked to original sources

PubMed2006

Equilibrium adsorption at crystal-melt interfaces in Lennard-Jones alloys.

Although the properties of crystal-melt interfaces have been extensively studied in pure materials, effects of alloying on the interfacial free energy remain relatively poorly understood. In this work we make use of Monte Carlo computer simulations for model binary Lennard-Jones alloys to explore the effects which variations in atomic-size mismatch and the chemical contributions to mixing energies have upon density and composition profiles, as well as the resulting magnitudes of equilibrium adsorption coefficients in concentrated alloys. We study four different model systems covering a range of chemical and size mismatch, finding relatively small adsorption values which are nevertheless statistically different from zero.

Journal Article↗

PubMed2006

Effect of stress on melting and freezing in nanopores.

A thermodynamic treatment of the freezing of fluids confined to nanosized closed pores is presented. The model includes the effects of pressure in the liquid, the volume change on solidification, and the strain energy in both the solidifying material and the wall material. When applied to the system of Pb droplets in Al, the model predicts an elevation of the melting point, in agreement with experiment.

Journal Article↗

PubMed2002

Elastic relaxations in ultrathin epitaxial alloy films.

Elastic interactions responsible for the stability of nanometer-scale patterns in ultrathin, bulk-immiscible-alloy films are analyzed within the context of a hybrid atomistic-continuum model. Two apparently different descriptions of alloy film behavior, a continuum elasticity theory describing a deformable substrate and a rigid substrate atomistic scheme, emerge naturally as limiting cases on long and short length scales, respectively. Quantitative first-principles calculations explain the origin of recently observed nanoscale patterns in Co-Ag/Ru(0001), and reveal a surprising failure of the continuum model.

Journal Article↗

PubMed2001

Method for computing the anisotropy of the solid-liquid interfacial free energy.

We present a method to compute accurately the weak anisotropy of the solid-liquid interfacial free energy, a parameter which influences dendritic evolution in materials with atomically rough interfaces. The method is based on monitoring interfacial fluctuations during molecular dynamics simulation and extracting the interfacial stiffness which is an order of magnitude more anisotropic than the interfacial free energy. We present results for pure Ni with interatomic potentials derived from the embedded atom method.

Journal Article↗

PubMed2001

Role of stress in thin film alloy thermodynamics: competition between alloying and dislocation formation.

Using scanning tunneling microscopy (STM) and first-principles local-spin-density-approximation calculations to study submonolayer films of Co (1-c)Ag (c)/Ru(0001) alloys, we have discovered a novel phase-separation mechanism. When the Ag concentration c exceeds 0.4, the surface phase separates between a dislocated, pure Ag phase and a pseudomorphically strained Co(0.6)Ag (0.4) surface alloy. We attribute the phase separation to the competition between two stress relief mechanisms: surface alloying and dislocation formation. The agreement between STM measurements and our calculated phase diagram supports this interpretation.

Journal Article↗

PubMed2000

Test of the universal scaling law for the diffusion coefficient in liquid metals.

The recently proposed scaling law relating the diffusion coefficient and the excess entropy of a liquid [M. Dzugutov, Nature (London) 381, 137 (1996)] is tested for several metals using molecular dynamics simulations. Interatomic potentials derived from the embedded atom method are used to study Ag, Au, Cu, Ni, Pd, Pt, Ni(3)Al, and AuPt and the angular dependent Stillinger-Weber form is used to investigate Si.

Journal Article↗

PubMed1998

Boundary element modeling of electrokinetically driven fluid flow in two-dimensional microchannels.

In recent years there has been considerable interest in fabricating electrophoretic separation systems on microchips. In this study the boundary element method is used to numerically model both the electrical charge density and the electrokinetically driven fluid flow velocity field in two-dimensional microchannels containing an arbitrary configuration of circular flow obstacles. An estimate of both the average velocity and the resolution has been determined for various obstacle configurations, obstacle sizes, area fractions, surface line lengths per unit area and for different values of the thickness of the electrical double layer. Based on the results, an optimal microchannel design is suggested. In addition, the recently observed phenomenon of recirculated flow in an open region of an otherwise packed electrochromatography column has been confirmed with the numerical model.

Chemical Phenomena↗