Low-Temperature Crystal Structures of the Hard Core Square Shoulder Model
AbstractIn 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
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Gabriëlse, A.; Löwen, H.; Smallenburg, F. Low-Temperature Crystal Structures of the Hard Core Square Shoulder Model. Materials 2017, 10, 1280.
Gabriëlse A, Löwen H, Smallenburg F. Low-Temperature Crystal Structures of the Hard Core Square Shoulder Model. Materials. 2017; 10(11):1280.Chicago/Turabian Style
Gabriëlse, Alexander; Löwen, Hartmut; Smallenburg, Frank. 2017. "Low-Temperature Crystal Structures of the Hard Core Square Shoulder Model." Materials 10, no. 11: 1280.
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