Related papers: Combining rare events techniques: phase change in …
Thermodynamic phase transitions, a central concept in physics and chemistry, are typically controlled by an interplay of enthalpic and entropic contributions. In most cases, the estimation of the enthalpy in simulations is straightforward…
A characteristic feature of thermalized non-equilibrated matter is that, in spite of energy relaxation (thermalization), a phase memory of the way the strongly interacting many-body system was excited remains. In this contribution we…
Spherical magnetite nanoparticles having average particle size <d> = 5 nm have been synthesized by coprecipitation of Fe(II) and Fe(III) salts in KOH with Polyvinylalcohol (PVA). The resulting dry powder displayed superparamgnetic (SPM)…
Controlling the temperature in architectures involving nanoparticles and substrates is a key issue for applications involving micro and nanoscale heat transfer. We study the thermal behavior of a single nanoparticle interacting with a flat…
Freezing of simple liquid metals and the relative stabilities of competing crystalline solids are investigated using thermodynamic perturbation theory, the interactions between ions being modeled by effective pair potentials derived from…
Via numerical simulations and analytical calculations, depletion forces are studied in mixtures of small and big particles that interact via soft repulsive potentials. While big particles are spherical, small particles are nonspherical with…
We study the phase transition in a system composed of dimers interacting with each other via a nearest-neighbor (NN) exchange $J$ and competing interactions taken from a truncated dipolar coupling. Each dimer occupies a link between two…
A significant amount of attention was dedicated in recent years to the phenomenon of jamming of athermal amorphous solids by increasing the volume fraction of the microscopic constituents. At a critical value of the volume fraction,…
The thermal conductivity of nanometric objects or nanostructured materials can be determined using non equilibrium molecular dynamics (NEMD) simulations. The technique is simple in its principle, and resembles a numerical guarded hot plate…
We study the effect of periodic, spatially uniform temperature variation on mechanical properties and structural relaxation of amorphous alloys using molecular dynamics simulations. The disordered material is modeled via a non-additive…
A description of strange quark matter at finite temperature is given, with emphasis on the inclusion of finite size effects. For massless quarks all thermodynamic quantities can be evaluated analytically, while the case of massive quarks…
We analyze different microscopic RNA models at zero temperature. We discuss both the most simple model, that suffers a large degeneracy of the ground state, and models in which the degeneracy has been remove, in a more or less severe…
Nanobubbles in liquids are mysterious gaseous objects having exceptional stability. They promise a wide range of applications but their production is not well controlled and localized. Alternating polarity electrolysis of water is a tool…
Slow dynamics of difluorotetrachloroethane in both supercooled plastic crystal and supercooled liquid states have been investigated from Molecular Dynamics simulations. The temperature and wave-vector dependence of collective dynamics in…
The degree of randomness, or partial order, present in two-dimensional supramolecular arrays of isophthalate tetracarboxylic acids is shown to vary due to subtle chemical changes such as the choice of solvent or small differences in…
The structure of the tilted phase of monolayer-protected nanoparticles is investigated by means of a simple Ginzburg-Landau model. The theory contains two dimensionless parameters representing the preferential tilt angle and the ratio…
Aggregation and settling are crucial phenomena that involve particulate systems. For particle sizes of millimetre and above, there are reasonable accurate predicting tools. However for smaller particle sizes, there appears to be a void in…
Nanoparticles (size 20, 40 and 60 nm) of Pr_0.5Sr_0.5MnO_3 are prepared by sol-gel technique and their magnetic properties are studied using ferromagnetic resonance and magnetization measurements. A comparison with the properties of the…
Hydrodynamics is known to have strong effects on the kinetics of phase separation. There exist open questions on how such effects manifest in systems under confinement. Here, we have undertaken extensive studies of the kinetics of phase…
Neutron elastic, inelastic and high energy x-ray scattering techniques are used to explore the nature of the polaron order and dynamics in La0.7Ca0.3MnO3. Static polaron correlations develop within a narrow temperature regime as the Curie…