Related papers: Combining rare events techniques: phase change in …
We perform molecular dynamics simulations of 512 water-like molecules that interact via the TIP5P potential and are confined between two smooth hydrophobic plates that are separated by 1.10 nm. We find that the anomalous thermodynamic…
We study heterogeneities in a binary Lennard-Jones system below the glass transition using molecular dynamics simulations. We identify mobile and immobile particles and measure their distribution of vibrational amplitudes. For temperatures…
A binary mixture of particles interacting with spherically-symmetric potentials leading to microsegregation is studied by theory and molecular dynamics (MD) simulations. We consider spherical particles with equal diameters and volume…
Using molecular dynamics simulations we study the temperature-density phase diagram of a simple model system of particles in two dimensions. In addition to translational degrees of freedom, each particle has two internal states and…
The low temperature behavior of densely packed interacting spherical single domain nanoparticles (MNP) is investigated by Monte Carlo simulations in the framework of an effective one spin model. The particles are distributed through a hard…
Molecular dynamics simulations are performed for a supercooled simple liquid with changing the system size from N=108 to $10^4$ to examine possible finite-size effects. Although almost no systematic deviation is detected in the static pair…
We demonstrate levitation and three-dimensionally stable trapping of a wide variety of particles in a vacuum chamber through the use of the thermophoretic force in the presence of a strong temperature gradient. Typical sizes of the trapped…
Using a simple example of biological macromolecules which are partitioned between bulk solution and membrane, we investigate T.L. Hill's phenomenological nanothermodynamics for small systems. By introducing a {\em systems size dependent}…
Si nanopillars of less than 50 nm diameter have been irradiated in a helium ion microscope with a focused Ne$^+$ beam. The morphological changes due to ion beam irradiation at room temperature and elevated temperatures have been studied…
There is so far no clear-cut experimental analysis that can determine whether dipole-dipole interactions enhance or reduce the blocking temperature $T_{B}$ of nanoparticle assemblies. It seems that the samples play a central role in the…
The atomistic structure of metallic glasses is closely related to properties such as strength and ductility. Here, Ni1-xBx metallic glass nanoparticles of two different sizes are compressed under quasi-hydrostatic high-pressure conditions…
Employing Monte-Carlo simulation techniques we investigate the statistical properties of equally charged particles confined in a one-dimensional box trap and detect a crossover from a crystalline to a cluster phase with increasing…
We introduce a new method to simulate the physics of rare events. The method, an extension of the Temperature Accelerated Molecular Dynamics, comes in use when the collective variables introduced to characterize the rare events are either…
We use direct numerical simulations to investigate the interaction between the temperature field of a fluid and the temperature of small particles suspended in the flow, employing both one and two-way thermal coupling, in a statistically…
We present evidence that the concurrent existence of two populations of particles with different effective diameters is not a prerequisite for the occurrence of anomalous phase behaviors in systems of particles interacting through…
This study theoretically considers the motion of N identical inelastic particles between two oscillating walls. The particles' average energy increases abruptly at certain critical filling fractions, wherein the system changes into a…
In this paper we present a modeling approach to bridge the atomistic with macroscopic scales in crystalline materials. The methodology combines identification and modeling of the controlling unit processes at microscopic level with the…
We study the effects of long range interactions on the phases observed in cohesive granular materials. At high vibration amplitudes, a gas of magnetized particles is observed with velocity distributions similar to non-magnetized particles.…
We consider finite sized atomic systems with varying number of particles which have dipolar interactions among them and also under the collective driving and dissipative effect of thermal photon environment. Focusing on the simple case of…
The magnetic properties and critical behavior of both ferromagnetic pure and metallic nanoparticles having concurrently atomic disorder, dilution and competing interactions, are studied in the framework of an Ising model. We have used both…