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Using molecular dynamics simulations we study the static and dynamic properties of spherical nanoparticles (NPs) embedded in a disordered and polydisperse polymer network. Purely repulsive (RNP) as well as weakly attractive (ANP) polymer-NP…

Soft Condensed Matter · Physics 2023-02-15 Valerio Sorichetti , Virginie Hugouvieux , Walter Kob

The influence of spatial confinement on the thermally excited stochastic cation dynamics of the room-temperature ionic liquid 1-N-butylpyridinium bis-((trifluoromethyl)sulfonyl)imide ([BuPy][Tf_2N]) inside porous carbide-derived carbons…

Chemical Physics · Physics 2020-06-02 Mark Busch , Tommy Hofmann , Bernhard Frick , Jan P. Embs , Boris Dyatkin , Patrick Huber

The effect of structural constriction on molecular mobility is investigated by broadband dielectric spectroscopy (BDS) within three types of molecular arrangements: monomers, oligomers and self-assembled monolayers (SAMs). While disordered…

The phase behavior of symmetric diblock copolymers under three-dimensional (3D) soft confinement is investigated using the self-consistent field theory. The soft confinement is realized in binary blends composed AB diblock copolymers and C…

Soft Condensed Matter · Physics 2024-08-28 Zhijuan He , Jin Huang , Kai Jiang , An-Chang Shi

CdS nanotubes with wall thickness comparable to excitonic diameter of the bulk material are synthesized by a chemical route. A change in experimental conditions result in formation of nanowires, and well-separated nanoparticles. The…

Materials Science · Physics 2009-02-16 A. K. Mahapatra

Here, we report an alternative route to achieve two dimensional electron gas (2DEG) in a semiconductor structure. It has been shown that charge accumulation on the side facets can lead to the formation of 2DEG in a network of c-axis…

Mesoscale and Nanoscale Physics · Physics 2014-10-07 H. P. Bhasker , Varun Thakur , S. M. Shivaprasad , S. Dhar

We present a comparative computer simulation study of the phase diagrams and anomalous behavior of two-dimensional ($2D$) and quasi-two-dimensional ($q2D$) classical particles interacting with each other through isotropic core-softened…

Soft Condensed Matter · Physics 2019-06-14 Yu. D. Fomin , E. N. Tsiok , V. N. Ryzhov

We study the magnetization dynamics in nanomagnets excited by stochastic magnetic fields to mimic temperature in a micromagnetic framework. The effect of confinement arising from the finite size of the structures is investigated, and we…

Mesoscale and Nanoscale Physics · Physics 2021-04-09 Samuel D. Slöetjes , Björgvin Hjörvarsson , Vassilios Kapaklis

We consider the statics and dynamics of a flexible polymer confined between parallel plates both in the presence and absence of hydrodynamic interactions. The hydrodynamic interactions are described at the level of the fluctuating,…

Soft Condensed Matter · Physics 2012-11-01 Santtu T. T. Ollila , Colin Denniston , Mikko Karttunen , Tapio Ala-Nissila

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…

Soft Condensed Matter · Physics 2013-05-29 Chandana Mondal , Surajit Sengupta

Similarly to their biological counterparts, suspensions of chemically-active autophoretic swimmers exhibit nontrivial dynamics involving self-organization processes as a result of inter-particle interactions. Using a kinetic model for a…

Soft Condensed Matter · Physics 2022-12-01 Tullio Traverso , Sebastien Michelin

Studies of random close packing of spheres have advanced our knowledge about the structure of systems such as liquids, glasses, emulsions, granular media, and amorphous solids. When these systems are confined their structural properties…

Soft Condensed Matter · Physics 2009-12-17 Kenneth W. Desmond , Eric R. Weeks

The presence of nanoparticles in a diblock copolymer leads to changes in the morphology and properties of the matrix and can produce highly organized hybrid materials. The resulting material properties depend not only on the polymer…

Soft Condensed Matter · Physics 2018-05-30 Javier Diaz , Marco Pinna , Andrei Zvelindovsky , Adelchi Asta , Ignacio Pagonabarraga

The dielectric properties of a bulk dipolar liquid have been subjects of intense interest during the past decades. A surprising result was the discovery of a strong wavenumber dependence in the bulk homogeneous state. Such behaviour seems…

Soft Condensed Matter · Physics 2024-11-25 Sayantan Mondal , Biman Bagchi

Active systems comprising micron-sized self-propelling units, also termed microswimmers, are promising candidates for the bottom-up assembly of small structures and reconfigurable materials. Here we leverage field-driven colloidal assembly…

Soft Condensed Matter · Physics 2024-12-24 Carolina van Baalen , Laura Alvarez , Robert Style , Lucio Isa

We use molecular dynamics simulations to study the dynamics of Janus particles, micro- or nanoparticles which are not spherically symmetric, in the uniform flow of a simple liquid. In particular we consider spheres with an asymmetry in the…

Fluid Dynamics · Physics 2016-06-10 Aurelien Y. M. Archereau , Shaun C. Hendy , Geoff. R. Willmott

Molecular dynamics simulations are carried out to study the translational and rotational diffusion of a single Janus particle immersed in a dense Lennard-Jones fluid. We consider a spherical particle with two hemispheres of different…

Soft Condensed Matter · Physics 2015-06-18 Ali Kharazmi , Nikolai V. Priezjev

The paper presents a short overview of the theoretical, numerical and experimental works on the critical behavior of a dilute polymer solution of long-flexible polymer chains confined in semi-infinite space restricted by a surface or in a…

Soft Condensed Matter · Physics 2018-01-08 Zoryana Usatenko , Krzysztof S. Danel

The three dimensional carrier confinement in GaN nanodiscs embedded in GaN/AlGaN nanowires and its effect on their photoluminescence properties is analyzed for Al concentrations between x = 0.08 and 1. Structural analysis by high resolution…

Mesoscale and Nanoscale Physics · Physics 2011-11-16 F. Furtmayr , J. Teubert , P. Becker , S. Conesa-Boj , J. R. Morante , J. Arbiol , A. Chernikov , S. Schäfer , S. Chatterjee , M. Eickhoff

We simulate a model of self-propelled disks with soft repulsive interactions confined to a box in two dimensions. For small rotational diffusion rates, monodisperse disks spontaneously accumulate at the walls. At low densities, interaction…

Soft Condensed Matter · Physics 2014-03-05 Xingbo Yang , M. Lisa Manning , M. Cristina Marchetti