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1.
Soft Matter ; 12(10): 2737-43, 2016 Mar 14.
Article in English | MEDLINE | ID: mdl-26932530

ABSTRACT

This paper presents a homogeneous system of magnetic colloidal particles that self-assembles via two structural patterns of different symmetry. Based on a qualitative comparison between a real magnetic particles system, analytical calculations and molecular dynamics simulations, it is shown that bistability can be achieved by a proper tailoring of an anisotropic magnetization distribution inside the particles. The presented bistability opens new possibilities to form two-dimensionally extended and flexible structures where the connectivity between the particles can be changed in vivo.

2.
J Chem Phys ; 140(21): 211101, 2014 Jun 07.
Article in English | MEDLINE | ID: mdl-24907981

ABSTRACT

In the late 1970s, Hubbard and Onsager predicted that adding salt to a polar solution would result in a reduced dielectric permittivity that arises from the unexpected tendency of solvent dipoles to align opposite to the applied field. Here we develop a novel non-equilibrium molecular dynamics simulation approach to determine this decrement accurately. Using a thermodynamic consistent all-atom force field we show that for an aqueous solution containing sodium chloride around 4.8 mol/l, this effect accounts for 12% of the total dielectric permittivity. The dielectric decrement can be strikingly different if a less accurate force field for the ions is used. Using the widespread GROMOS parameters, we observe in fact an increment of the dielectric permittivity rather than a decrement, caused by ion pairing and introduced by a too low dispersion force.


Subject(s)
Electrolytes/chemistry , Sodium/chemistry , Solutions/chemistry , Thermodynamics , Chlorine Compounds/chemistry , Kinetics , Molecular Dynamics Simulation , Potassium/chemistry , Salts/chemistry , Solvents/chemistry , Water/chemistry
3.
Phys Rev E Stat Nonlin Soft Matter Phys ; 77(1 Pt 1): 013501; discussion 013502, 2008 Jan.
Article in English | MEDLINE | ID: mdl-18351898

ABSTRACT

In a recent paper [Phys. Rev. E 75, 011506 (2007)] Hentschke presented new results on the vapor-liquid transition in the Stockmayer fluid. In this Comment, we analyze the data further and demonstrate that at high dipole strength, the isotropic attractive part of the Stockmayer potential is negligible compared to the thermal energy at the vapor-liquid critical point. The results therefore suggest that the transition is largely driven by the dipolar interactions.

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