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Point defects in real crystals at finite temperatures are inevitable. Their dynamics severely influence the mechanical properties of crystals under shear giving rise to nonlinear effects such as ductility. Therefore, it is crucial to…

Soft Condensed Matter · Physics 2021-02-02 Gaurav P. Shrivastav , Gerhard Kahl

Spin crossover molecules have recently emerged as a family of compounds potentially useful for implementing molecular spintronics devices. The calculations of the electronic properties of such molecules is a formidable theoretical challenge…

Materials Science · Physics 2015-06-04 Andrea Droghetti , Dario Alfe' , Stefano Sanvito

Charged colloidal dispersions make up the basis of a broad range of industrial and commercial products, from paints to coatings and additives in cosmetics. During drying, an initially liquid dispersion of such particles is slowly…

Soft Condensed Matter · Physics 2019-01-07 Lucas Goehring , Joaquim Li , Pree-Cha Kiatkirakajorn

Recent experiments have shown that various structures may be formed during the evaporative dewetting of thin films of colloidal suspensions. Nano-particle deposits of strongly branched `flower-like', labyrinthine and network structures are…

Soft Condensed Matter · Physics 2011-10-03 M. J. Robbins , A. J. Archer , U. Thiele

It is far well accepted that the morphology of nanoparticles and nanoalloys is of paramount importance to understand their properties. Furthemore, the morphology depends on the growth mechanism with coalescence generally accepted as one the…

Mesoscale and Nanoscale Physics · Physics 2023-07-27 Sofia Zinzani , Francesca Baletto

A simple, non-disordered spin model has been studied in an effort to understand the origin of the precipitous slowing down of dynamics observed in supercooled liquids approaching the glass transition. A combination of Monte Carlo…

Statistical Mechanics · Physics 2009-11-07 Hui Yin , Bulbul Chakraborty

We develop a dynamical density functional theory based model for the drying of colloidal films on planar surfaces. We consider mixtures of two different sizes of hard-sphere colloids. Depending on the solvent evaporation rate and the…

Soft Condensed Matter · Physics 2021-01-28 Boshen He , Ignacio Martin-Fabiani , Roland Roth , Gyula I. Tóth , Andrew J. Archer

We study colloidal particle dynamics of a model glass system using confocal and fluorescence microscopy as the sample evolves from a hard-sphere glass to a liquid with attractive interparticle interactions. The transition from hard-sphere…

Soft Condensed Matter · Physics 2015-05-13 Andrzej Latka , Yilong Han , Ahmed M. Alsayed , Andrew B. Schofield , A. G. Yodh , Piotr Habdas

The effects of an externally applied one-dimensional periodic potential on the freezing/melting behaviour of two-dimensional systems of colloidal particles with a short-range attractive interaction are studied using Monte Carlo simulations.…

Soft Condensed Matter · Physics 2010-05-07 Pinaki Chaudhuri , Chinmay Das , Chandan Dasgupta , H. R. Krishnamurthy , A. K. Sood

A simple, discrete, parametric model is proposed to describe conditional (correlated) deposition of particles on a surface and formation of a connecting (percolating) cluster. The surface changes spontaneously its properties (phase…

Statistical Mechanics · Physics 2007-05-23 Ana Proykova , Boris Karadjov

Phase transformations can be difficult to characterize at the microscopic level due to the inability to directly observe individual atomic motions. Model colloidal systems, by contrast, permit the direct observation of individual particle…

Soft Condensed Matter · Physics 2015-04-21 Ye Yang , Lin Fu , Catherine Marcoux , Joshua E. S. Socolar , Patrick Charbonneau , Benjamin B. Yellen

We study nonequilibrium dynamical properties of inhomogeneous systems, in particular at a free surface or at a defect plane. Thereby we consider nonconserved (model-A) dynamics of a system which is prepared in the high-temperature phase and…

Statistical Mechanics · Physics 2009-11-10 Michel Pleimling , Ferenc Igloi

We study a dense colloidal suspension confined between two quasiparallel glass plates as a model system for a supercooled liquid in confined geometries. We directly observe the three-dimensional Brownian motion of the colloidal particles…

Soft Condensed Matter · Physics 2012-06-01 Kazem V. Edmond , Carolyn R. Nugent , Eric R. Weeks

Using the classical density functional theory of freezing and Monte Carlo computer simulations, we explore the liquid-crystalline phase behavior of hard rectangles on flat and cylindrical manifolds. Moreover, we study the effect of a static…

Soft Condensed Matter · Physics 2018-02-19 Christoph E. Sitta , Frank Smallenburg , Raphael Wittkowski , Hartmut Löwen

In a recent study we have reported a new type of trial wave function symmetric under the exchange of particles and which is able to describe a supersolid phase. In this work, we use the diffusion Monte Carlo method and this model wave…

Other Condensed Matter · Physics 2015-05-28 C. Cazorla , G. E. Astrakharchik , J. Casulleras , J. Boronat

Coffee extraction involves many complex physical and transport processes extremely difficult to model. Among the many factors that will affect the final quality of coffee, the microstructure of the coffee matrix is one of the most critical…

Fluid Dynamics · Physics 2023-10-10 Chaojie Mo , Richard Johnston , Luciano Navarini , Furio Suggi Liverani , Marco Ellero

We use a theoretical model to explore how fluid dynamics, in particular, the pressure gradient and wall shear stress in a channel, affect the deposition of particles flowing in a microfluidic network. Experiments on transport of colloidal…

Soft Condensed Matter · Physics 2023-03-28 Gess Kelly , Navid Bizmark , Bulbul Chakraborty , Sujit S. Datta , Thomas G. Fai

We combine the swap Monte Carlo algorithm to long multi-CPU molecular dynamics simulations to analyse the equilibrium relaxation dynamics of model supercooled liquids over a time window covering ten orders of magnitude for temperatures down…

Soft Condensed Matter · Physics 2022-12-16 Camille Scalliet , Benjamin Guiselin , Ludovic Berthier

Using Monte Carlo simulations, we have studied aging phenomena in three-dimensional Gaussian Ising spin-glass model focusing on quasi-equilibrium behavior of the spin auto-correlation functions. Weak violation of the time translational…

Disordered Systems and Neural Networks · Physics 2015-06-25 H. Takayama , H. Yoshino , T. Komori

Using Brownian dynamics computer simulations we show that a two-dimensional suspension of self-propelled ("active") colloidal particles crystallizes at sufficiently high densities. Compared to the equilibrium freezing of passive particles…

Soft Condensed Matter · Physics 2012-06-12 Julian Bialké , Thomas Speck , Hartmut Löwen