Generalised local bond order parameter analysis: application to colloidal particles with dendritic polymer brushes

被引:5
作者
Mizuno, Ryo [1 ]
Okumura, Kentaro [1 ]
Oguri, Junya [1 ]
Terao, Takamichi [2 ]
机构
[1] Gifu Univ, Dept Intelligence Sci & Engn, Gifu, Japan
[2] Gifu Univ, Dept Elect Elect & Comp Engn, Gifu, Japan
关键词
Colloidal crystals; polymer brushes; dendrimers; order-disorder transition; MOLECULAR-DYNAMICS; NANOPARTICLES; POLYSTYRENE; SIMULATION; SYSTEM;
D O I
10.1080/08927022.2019.1582774
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
This study examines the self-assembly of colloidal particles with spherical dendritic brushes. The effective interaction between these particles was studied in Monte Carlo simulations of the Kremer-Grest model. Results confirmed the transferability of the effective potential at different temperatures. Using the potential of mean force obtained from Monte Carlo simulations, the structural formation of the system was studied in a three-dimensional system. The system is a crystalline state in the intermediate density range and exhibits re-entrant melting at much higher densities. Based on generalised local bond order analysis, a refined numerical method is proposed for analysing the structural formation of colloidal particles in three-dimensional systems. The numerical technique accurately reproduced the formation of the colloidal system.
引用
收藏
页码:743 / 751
页数:9
相关论文
共 45 条
[1]  
[Anonymous], 2017, COMPUTER SIMULATION
[2]  
Binder K., 1995, Monte Carlo and Molecular Dynamics Simulations in Polymer Science
[3]   Self-Assembly of Colloidal Nanocrystals: From Intricate Structures to Functional Materials [J].
Boles, Michael A. ;
Engel, Michael ;
Talapin, Dmitri V. .
CHEMICAL REVIEWS, 2016, 116 (18) :11220-11289
[4]   Interactions between Brushes of Root-Tethered Dendrons [J].
Borisov, O. V. ;
Zhulina, E. B. ;
Polotsky, A. A. ;
Leermakers, F. A. M. ;
Birshtein, T. M. .
MACROMOLECULES, 2014, 47 (19) :6932-6945
[5]   Pair interaction between end-grafted polymers onto spherical surfaces:: A Monte Carlo study [J].
Cerdà, JJ ;
Sintes, T ;
Toral, R .
MACROMOLECULES, 2003, 36 (04) :1407-1413
[6]   Structure of Dendrimer Brushes: Mean-Field Theory and MD Simulations [J].
Cui, Wei ;
Su, Chan-Fei ;
Merlitz, Holger ;
Wu, Chen-Xu ;
Sommer, Jens-Uwe .
MACROMOLECULES, 2014, 47 (11) :3645-3653
[7]  
Frenkel D., 1996, Understanding molecular dynamics simulation from algorithms to applications
[8]   Dendritic Brushes under Good Solvent Conditions: A Simulation Study [J].
Gergidis, Leonidas N. ;
Kalogirou, Andreas ;
Vlahos, Costas .
LANGMUIR, 2012, 28 (49) :17176-17185
[9]   PEG-Stabilized Core-Shell Nanoparticles: Impact of Linear versus Dendritic Polymer Shell Architecture on Colloidal Properties and the Reversibility of Temperature-Induced Aggregation [J].
Gillich, Torben ;
Acikgoez, Canet ;
Isa, Lucio ;
Schlueter, A. Dieter ;
Spencer, Nicholas D. ;
Textor, Marcus .
ACS NANO, 2013, 7 (01) :316-329
[10]   MOLECULAR-DYNAMICS SIMULATION FOR POLYMERS IN THE PRESENCE OF A HEAT BATH [J].
GREST, GS ;
KREMER, K .
PHYSICAL REVIEW A, 1986, 33 (05) :3628-3631