Next Article in Journal
Temperature-Dependent Photoluminescence Emission from Unstrained and Strained GaSe Nanosheets
Next Article in Special Issue
Assembly Modulated by Particle Position and Shape: A New Concept in Self-Assembly
Previous Article in Journal
Optimizing Low-Concentration Mercury Removal from Aqueous Solutions by Reduced Graphene Oxide-Supported Fe3O4 Composites with the Aid of an Artificial Neural Network and Genetic Algorithm
Previous Article in Special Issue
Tuning Patchy Bonds Induced by Critical Casimir Forces
 
 
Article

Low-Temperature Crystal Structures of the Hard Core Square Shoulder Model

Institut für Theoretische Physik II: Weiche Materie, Heinrich-Heine-Universität Düsseldorf, Universitätsstr. 1, 40225 Düsseldorf, Germany
*
Author to whom correspondence should be addressed.
Materials 2017, 10(11), 1280; https://doi.org/10.3390/ma10111280
Received: 30 September 2017 / Revised: 22 October 2017 / Accepted: 3 November 2017 / Published: 7 November 2017
(This article belongs to the Special Issue Designed Colloidal Self-Assembly)
In many cases, the stability of complex structures in colloidal systems is enhanced by a competition between different length scales. Inspired by recent experiments on nanoparticles coated with polymers, we use Monte Carlo simulations to explore the types of crystal structures that can form in a simple hard-core square shoulder model that explicitly incorporates two favored distances between the particles. To this end, we combine Monte Carlo-based crystal structure finding algorithms with free energies obtained using a mean-field cell theory approach, and draw phase diagrams for two different values of the square shoulder width as a function of the density and temperature. Moreover, we map out the zero-temperature phase diagram for a broad range of shoulder widths. Our results show the stability of a rich variety of crystal phases, such as body-centered orthogonal (BCO) lattices not previously considered for the square shoulder model. View Full-Text
Keywords: colloidal crystals; hard core square-shoulder model; cell theory; phase behavior; computer simulation colloidal crystals; hard core square-shoulder model; cell theory; phase behavior; computer simulation
Show Figures

Graphical abstract

MDPI and ACS Style

Gabriëlse, A.; Löwen, H.; Smallenburg, F. Low-Temperature Crystal Structures of the Hard Core Square Shoulder Model. Materials 2017, 10, 1280. https://doi.org/10.3390/ma10111280

AMA Style

Gabriëlse A, Löwen H, Smallenburg F. Low-Temperature Crystal Structures of the Hard Core Square Shoulder Model. Materials. 2017; 10(11):1280. https://doi.org/10.3390/ma10111280

Chicago/Turabian Style

Gabriëlse, Alexander, Hartmut Löwen, and Frank Smallenburg. 2017. "Low-Temperature Crystal Structures of the Hard Core Square Shoulder Model" Materials 10, no. 11: 1280. https://doi.org/10.3390/ma10111280

Find Other Styles
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Article Access Map by Country/Region

1
Back to TopTop