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We consider a simple model of maghemite nanoparticles and study their magnetic properties using Monte Carlo methods. The particles have a spherical geometry with diameters ranging from 3 nm to 8 nm. The interior of the particles consists of…
We present a microscopic model for nanoparticles, of the maghemite ($\gamma $% -Fe$_{2}$O$_{3}$) type, and perform classical Monte Carlo simulations of their magnetic properties. On account of M\"{o}ssbauer spectroscopy and high-field…
This study presents a comprehensive computational investigation of magnetite nanoparticles, systematically evaluating a range of force fields against experimental results. We analyze the influence of particle size, temperature, and…
Some of the synthesis methods and physical properties of iron-oxide based magnetic nanoparticles such as Fe3-xO4 and CoxFe3-xO4 are reviewed because of their interest in health, environmental applications, and ultra-high-density magnetic…
We study the finite-size and surface effects on the thermal and spatial behaviors of the magnetisation of a small magnetic particle. We consider two systems: 1) A box-shaped isotropic particle of simple cubic structure with either periodic…
The linear and cubic dynamic susceptibilities of solid dispersions of nano-sized maghemite particles have been measured for three samples with a volume concentration of magnetic particles ranging from 0.3 % to 17 %, in order to study the…
The cohesion of particles has a significant effect on the properties of small bodies. In this study, we measured in open air, the cohesive forces of tens of micron-sized irregularly shaped meteorite, silica sand, glass powder, and spherical…
Analytical expressions for the osmotic pressure of electrolytes confined within electrolyte-filled, hollow, charged nanoparticles are studied using contact theorems for cavity nanoshells immersed in a low-concentration electrolyte. Three…
We present the results of Monte Carlo simulations of a model of a single maghemite ferrimagnetic nanoparticle with the aim to clarify the role played by the increased anisotropy at the surface and by the shape (spherical or elliptical) of…
The rheology of nanoparticle suspensions for nanoparticles of various shapes with equal mass is studied using molecular dynamics simulations. The equilibrium structure and the response to imposed shear are analyzed for suspensions of…
Amorphous solids, which show characteristic differences from crystals, are common in daily usage. Glasses, gels, and polymers are familiar examples, and polymers are particularly important in terms of their role in construction and…
Effective pair potentials for hollow nanoparticles like the ones made from carbon (fullerenes) or metal dichalcogenides (inorganic fullerenes) consist of a hard core repulsion and a deep, but short-ranged, van der Waals attraction. We…
The theoretical analysis of the effect of uniaxial stress on the magnetization of the system of noninteracting nanoparticles is done by an example of heterophase particles of maghemite, epitaxially coated with cobalt ferrite. It is shown…
The influence of surface anisotropy on the magnetization processes of maghemite nanoparticles with ellipsoidal shape is studied by means of Monte Carlo simulations. Radial surface anisotropy is found to favor the formation of hedgehog-like…
We introduce a computational approach to estimate the hardness and stiffness of diamond surfaces and nanoparticles by studying their elastic response to atomic nanoindentation. Results of our ab initio density functional calculations…
High fraction of the surface atoms considerably enhances the influence of size and shape on the magnetic and electronic properties of nanoparticles. Shape effects in ferromagnetic nanoparticles are well understood and allow to set and…
The influence of the pressure of a chemically inert carrier-gas on the nucleation rate is one of the biggest puzzles in the research of gas-liquid nucleation. Different experiments can show a positive effect, a negative effect, or no effect…
We establish a computational framework to explore the atomic configuration of a metal-hydrogen (M-H) system when in equilibrium with a H environment. This approach combines Diffusive Molecular Dynamics with an iteration strategy, aiming to…
We have developed a model for the interacting ore/shell nanoparticles, which we used to analyze the dependence of the coercive field Hc, the remanent saturation magnetization Mrs and the satu- ration magnetization Ms on the interfacial…
Molecular dynamics simulations are used to examine hysteretic effects and distinctions between equilibrium and non-equilibrium aspects of particle adsorption on the walls of nano-sized fluidfilled channels. The force on the particle and the…