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In recent experiments on sodium chloride clusters structural transitions between nanocrystals with different cuboidal shapes were detected. Here we determine reaction pathways between the low energy isomers of one of these clusters,…

Condensed Matter · Physics 2007-05-23 Jonathan Doye , David Wales

We present molecular dynamics (MD) simulations results for dense fluids of ultrasoft, fully-penetrable particles. These are a binary mixture and a polydisperse system of particles interacting via the generalized exponential model, which is…

Soft Condensed Matter · Physics 2012-12-24 Daniele Coslovich , Marco Bernabei , Angel J. Moreno

Using molecular simulation, we study the nucleation process from supercooled liquid alloys of Cu and Pd. The simulations reveal a complex interplay between the size of the crystal nucleus and its composition that greatly impacts the…

Statistical Mechanics · Physics 2021-08-19 Caroline Desgranges , Jerome Delhommelle

Our understanding of the growth of crystals is dominated by the classical description according to which individual atoms or molecules, driven by supersaturation, add to crystal facets. As a result, the growth of hard matter is still mostly…

Chemical Physics · Physics 2020-05-26 Bin Yuan , Ludovico Cademartiri

Deposits of dipolar particles are investigated by means of extensive Monte Carlo simulations. We found that the effect of the interactions is described by an initial, non-universal, scaling regime characterized by orientationally ordered…

Statistical Mechanics · Physics 2009-11-10 F. de los Santos , J. M. Tavares , M. Tasinkevych , M. M. Telo da Gama

The process of homogeneous crystal nucleation has been considered in a model liquid, where the interparticle interaction is described by a short-range spherical oscillatory potential. Mechanisms of initiating structural ordering in the…

Materials Science · Physics 2018-12-18 Bulat N. Galimzyanov , Dinar T. Yarullin , Anatolii V. Mokshin

The formation of galaxy clusters in hierarchically clustering universes is investigated by means of high resolution N-body simulations. The simulations are performed using a newly developed multi-mass scheme which combines a PM code with a…

Astrophysics · Physics 2007-05-23 A. Huss , B. Jain , M. Steinmetz

We generalize the model of transition-metal nanocluster growth in aqueous solution, proposed recently [Phys. Rev. E \textbf{87}, 022132 (2013)]. In order to model time evolution of the system, kinetic equations describing time dependence of…

Chemical Physics · Physics 2013-11-27 Jakub Jȩdrak

A recently developed method of nanoclusters growth in a pulsed plasma is studied by means of molecular dynamics. A model that allows one to consider high-energy charged particles in classical molecular dynamics is suggested, and applied for…

Mesoscale and Nanoscale Physics · Physics 2015-03-10 Alexey A. Tal , E. Peter Müger , Igor A. Abrikosov , Nils Brenning , Iris Pilch , Ulf Helmersson

We discuss a simple model of particles hopping in one dimension with attractive interactions. Taking a hydrodynamic limit in which the interaction strength increases with the system size, we observe the formation of multiple clusters of…

Statistical Mechanics · Physics 2017-05-05 Matthew Burman , Daniel Carpenter , Robert L. Jack

Over the past two decades polymer nanocomposites have received tremendous interest from industry and academia due to their advanced properties comparative to polymer blends. Many computational studies have revealed that the macroscopic…

Materials Science · Physics 2015-04-07 Argyrios Karatrantos

A simple three-dimensional model of a fluid whose constituent particles interact via a short range attractive and long range repulsive potential is used to model the aggregation into large spherical-like clusters made up of hundreds of…

Soft Condensed Matter · Physics 2025-02-11 Antonio Díaz-Pozuelo , Diego González-Salgado , Enrique Lomba

We present an experimental study on the collective behavior of macroscopic self-propelled particles that are externally excited by light. This property allows testing the system response to the excitation intensity in a very versatile…

Soft Condensed Matter · Physics 2025-09-03 Sára Lévay , Axel Katona , Hartmut Löwen , Raúl Cruz Hidalgo , Iker Zuriguel

We report on the growth of nanostructured rods fabricated by electrostatic co-assembly between iron oxide nanoparticles and polymers. The nanoparticles put under scrutiny, {\gamma}-Fe2O3 or maghemite, have diameter of 6.7 nm and 8.3 nm and…

Materials Science · Physics 2010-10-15 M. Yan , J. Fresnais , J. -F. Berret

We present large-scale molecular dynamics simulations to study the free evolution of granular gases. Initially, the density of particles is homogeneous and the velocity follows a Maxwell-Boltzmann (MB) distribution. The system cools down…

Statistical Mechanics · Physics 2016-09-21 Prasenjit Das , Sanjay Puri , Moshe Schwartz

Monolayer cluster growth in far-from-equilibrium systems is investigated by applying simulation and analytic techniques to minimal hard core particle (exclusion) models. The first model (I), for post-deposition coarsening dynamics, contains…

Statistical Mechanics · Physics 2009-11-10 F. D. A. Aarao Reis , R. B. Stinchcombe

Polymer-grafted nanoparticles (PGNPs) can provide property profiles than cannot be obtained individually by polymers or nanoparticles (NPs). Here, we have studied the mixing--demixing transition of symmetric copolymer melts of…

Soft Condensed Matter · Physics 2020-01-23 Peter Yatsyshin , Nikolaos G. Fytas , Panagiotis E. Theodorakis

When dissipative particles are left alone, their fluctuation energy decays due to collisional interactions, clusters build up and grow with time until the system size is reached. When the effective dissipation is strong enough, this may…

Statistical Mechanics · Physics 2009-10-31 S. Luding , H. J. Herrmann

Clustering and dynamics of nano-sized particles (nano dust) is investigated using high-resolution ($1024^3$) simulations of compressible isothermal hydrodynamic turbulence, intended to mimic the conditions inside cold molecular clouds in…

Astrophysics of Galaxies · Physics 2018-11-27 Lars Mattsson

Monodispersed spherical cadmium sulfide particles were used as a model system in order to explain the size selection in the formation of colloids by aggregation of nanosize subunits. Several procedures of mixing the reactants were employed…

Materials Science · Physics 2010-10-12 Sergiy Libert , Vyacheslav Gorshkov , Vladimir Privman , Dan Goia , Egon Matijevic
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