A density-functional theory study of microphase formation in binary Gaussian mixtures

被引:10
作者
Carta, M. [1 ]
Pini, D. [1 ]
Parola, A. [2 ]
Reatto, L. [1 ]
机构
[1] Univ Milan, Dipartimento Fis, I-20133 Milan, Italy
[2] Univ Insubria, Dipartimento Sci & Alta Tecnol, I-22100 Como, Italy
关键词
CORE MODEL; FLUID;
D O I
10.1088/0953-8984/24/28/284106
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
We use density-functional theory to study the formation of inhomogeneous phases in a binary mixture of particles interacting by repulsive, athermal Gaussian potentials with suitably chosen strengths and ranges. Both the potential parameters and the free-energy functional are the same as those adopted in a previous investigation by other authors (Archer A J, Likos C N and Evans R 2004 J. Phys.: Condens. Matter 16 L297), but here a fully numerical minimization of the functional is performed, without any assumption about the functional form of the density profile. We find lamellar, rod and cluster phases. In the lamellar phase, the two species arrange into intercalating stripes; in the rod and cluster phases, the minority species is localized at the site of a periodic lattice, either triangular (for rods) or body-centred cubic (for clusters), while the other species is distributed non-uniformly in the remaining region, so that it forms a percolating network. The order of the transition from the homogeneous to the inhomogeneous phase and the phase diagram of the mixture are also discussed.
引用
收藏
页数:6
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共 22 条
[11]   Fluid and solid phases of the Gaussian core model [J].
Lang, A ;
Likos, CN ;
Watzlawek, M ;
Löwen, H .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2000, 12 (24) :5087-5108
[12]   Monomer-Resolved Simulations of Cluster-Forming Dendrimers [J].
Lenz, Dominic A. ;
Mladek, Bianca M. ;
Likos, Christos N. ;
Kahl, Gerhard ;
Blaak, Ronald .
JOURNAL OF PHYSICAL CHEMISTRY B, 2011, 115 (22) :7218-7226
[13]   Why do ultrasoft repulsive particles cluster and crystallize? Analytical results from density-functional theory [J].
Likos, Christos N. ;
Mladek, Bianca M. ;
Gottwald, Dieter ;
Kahl, Gerhard .
JOURNAL OF CHEMICAL PHYSICS, 2007, 126 (22)
[14]   Effective interactions in soft condensed matter physics [J].
Likos, CN .
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS, 2001, 348 (4-5) :267-439
[15]   Criterion for determining clustering versus reentrant melting behavior for bounded interaction potentials -: art. no. 031206 [J].
Likos, CN ;
Lang, A ;
Watzlawek, M ;
Löwen, H .
PHYSICAL REVIEW E, 2001, 63 (03) :031206-031206
[16]   Mean-field fluid behavior of the Gaussian core model [J].
Louis, AA ;
Bolhuis, PG ;
Hansen, JP .
PHYSICAL REVIEW E, 2000, 62 (06) :7961-7972
[17]   Formation of polymorphic cluster phases for a class of models of purely repulsive soft spheres (vol 96, art no 045701, 2006) [J].
Mladek, Bianca M. ;
Gottwald, Dieter ;
Kahl, Gerhard ;
Neumann, Martin ;
Likos, Christos N. .
PHYSICAL REVIEW LETTERS, 2006, 97 (01)
[18]   Formation of polymorphic cluster phases for a class of models of purely repulsive soft spheres [J].
Mladek, BM ;
Gottwald, D ;
Kahl, G ;
Neumann, M ;
Likos, CN .
PHYSICAL REVIEW LETTERS, 2006, 96 (04)
[19]   Influence of topology on effective potentials: coarse-graining ring polymers [J].
Narros, Arturo ;
Moreno, Angel J. ;
Likos, Christos N. .
SOFT MATTER, 2010, 6 (11) :2435-2441
[20]   Clustering in nondemixing mixtures of repulsive particles [J].
Overduin, Sarah D. ;
Likos, Christos N. .
JOURNAL OF CHEMICAL PHYSICS, 2009, 131 (03)