scholarly journals Self-assembly and crystallisation of indented colloids at a planar wall

Soft Matter ◽  
2015 ◽  
Vol 11 (30) ◽  
pp. 6089-6098 ◽  
Author(s):  
Douglas J. Ashton ◽  
Samantha J. Ivell ◽  
Roel P. A. Dullens ◽  
Robert L. Jack ◽  
Nigel B. Wilding ◽  
...  
Keyword(s):  
Spherical Particle ◽  
Computer Simulations ◽  
Self Assembly ◽  
Particle Shape ◽  
Hard Wall ◽  
Planar Wall

Experiments and computer simulations of indented colloids near a hard wall demonstrate the suppression of crystallisation, due to the non-spherical particle shape.

Contact Value Formulae for the Density Profiles of the Electric Double Layer

2008 ◽  
Vol 73 (4) ◽  
pp. 558-574 ◽  
Author(s):  
Douglas J. Henderson ◽  
Lutful B. Bhuiyan
Keyword(s):  
Computer Simulations ◽  
Density Profile ◽  
Physical Interpretation ◽  
Electric Double Layer ◽  
Reasonable Agreement ◽  
Hard Wall ◽  
Density Profiles ◽  
Sum Rule ◽  
Recent Computer ◽  
Local Expression

An exact sum rule, due to Henderson, Blum, and Lebowitz, for the contact value of the density profile of ions in a primitive model electrolyte next to a planar, nonpolarizable charged hard wall, has been known for some years. This result has a pleasing physical interpretation and is local. It has been useful in assessing the accuracy of theoretical approximations. However, a sum rule for the contact value of the charge profile for the same system has, until recently, not been known. A few years ago, Boda and Henderson proposed what they thought might be a useful, but approximate, local expression for the contact value of the charge profile at a weakly charged electrode. Very recent computer simulations indicate that this expression may well be exact at low electrode charge. Recently, Holovko, Badiali, and di Caprio have obtained a more general, but nonlocal, sum rule for the contact value of the charge profile that is valid for all electrode charge. In this paper, we develop an alternative, nonlocal, but nonrigorous expression for this quantity. Both the expression of Holovko et al. and our new expression are examined by means of computer simulations. The Holovko et al. expression is exact and, within numerical uncertainties, seems supported by our simulations. Although admittedly nonrigorous, our simpler expression is in seemingly reasonable agreement with simulation and thus appears to be useful. The relation between the two expressions has not been established.

Self-assembly of conformationally flexible molecules under 2D confinement: structural analysis from computer simulations

2018 ◽  
Vol 54 (63) ◽  
pp. 8749-8752 ◽  
Author(s):  
Damian Nieckarz ◽  
Paweł Szabelski
Keyword(s):  
Monte Carlo ◽  
Structural Analysis ◽  
Monte Carlo Simulations ◽  
Computer Simulations ◽  
Self Assembly ◽  
Flexible Molecules

Monte Carlo simulations reveal the role of surface conformers in self-assembly on crystalline supports.

Structure of chemically reacting particles near a hard wall from integral equations and computer simulations

1996 ◽  
Vol 74 (1-2) ◽  
pp. 65-76 ◽  
Author(s):  
A. Trokhymchuk ◽  
D. Henderson ◽  
S. Sokołowski
Keyword(s):  
Monte Carlo ◽  
Computer Simulations ◽  
Hard Spheres ◽  
Total Density ◽  
Hard Wall ◽  
Monte Carlo Data ◽  
Density Profiles ◽  
Interparticle Potential ◽  
Theoretical Predictions ◽  
Chemically Reacting

We performed Monte-Carlo computer simulations of a fluid of chemically reacting, or overlapping, hard spheres near a hard wall. The model of the interparticle potential is that introduced by Cummings and Stell. This investigation is directed to the determination of the structure of the fluid at the wall, and the orientation of the dimers in particular. In addition, we applied the singlet Percus–Yevick, hypernetted chain and Born–Green–Yvon equations to calculate the total density profiles of the particles. A comparison with the Monte-Carlo data indicates that the singlet Percus–Yevick theory is superior and leads to results that are in reasonable agreement with simulations for all the parameters investigated. We also calculated the average numbers of dimers formed in the bulk part of the system and the results are compared with different theoretical predictions.

scholarly journals Self Assembly of Disordered Folded Multiphase Proteins by Computer Simulations

2016 ◽  
Vol 110 (3) ◽  
pp. 323a
Author(s):  
Eduardo R. Cruz-Chu ◽  
Konstantinos Gkagkas ◽  
Frauke Graeter
Keyword(s):  
Computer Simulations ◽  
Self Assembly

Some properties of spherical and rod-shaped semiconductor and metal nanocrystals

2002 ◽  
Vol 74 (9) ◽  
pp. 1675-1692 ◽  
Author(s):  
Christy F. Landes ◽  
Stephan Link ◽  
Mona B. Mohamed ◽  
Babak Nikoobakht ◽  
Mostafa A. El-Sayed
Keyword(s):  
Raman Scattering ◽  
Spherical Particle ◽  
Gold Nanorods ◽  
Self Assembly ◽  
Surrounding Medium ◽  
Cdse Nanocrystals ◽  
Size And Shape ◽  
Metal Nanocrystals ◽  
Enhanced Raman Scattering

In this paper, we summarize our results on the effect of changing size and shape of semiconductor and metallic nanocrystals. The change in size (from 3.5 to 1.1 nm) and shape (from spherical to rod) of CdSe nanocrystals is found to affect both their optical and nonradiative properties. In gold quasi-spherical nanocrystals, results on the dependence of the electron-phonon relaxation of the surrounding medium are presented. For gold nanorods, results and conclusions on the mechanism of their self-assembly are presented. Enhanced Raman scattering on their surfaces is studied and compared with that on spherical particle surfaces.

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