Cell dynamics simulations of block copolymers

Hamley, Ian W.

doi:10.1002/1521-3919(20000801)9:7<363::aid-mats363>3.0.co;2-7

Cited by 60 publications

(76 citation statements)

References 43 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Here, the parameter τ is related to temperature by means of the Flory-Huggins parameter χ through [34,35] …”

Section: Modelmentioning

confidence: 99%

“…In recent years, such models have been used to study a variety of systems under different conditions, including shear and other external fields, curvature and patterned substrates, and pattern formation in 3D [20,33,[36][37][38][39][40]. In this work, the free energy parameters were selected to capture the desired symmetry and segregation strength of the block copolymer hexagonal phase [20,34,35]. More details about the equilibrium phase diagram and the different spinodals can be found elsewhere [34,35,[41][42][43][44].…”

Section: Modelmentioning

confidence: 99%

“…In this work, the free energy parameters were selected to capture the desired symmetry and segregation strength of the block copolymer hexagonal phase [20,34,35]. More details about the equilibrium phase diagram and the different spinodals can be found elsewhere [34,35,[41][42][43][44].…”

Section: Modelmentioning

confidence: 99%

See 2 more Smart Citations

Pattern formation mechanisms in sphere-forming diblock copolymer thin films

Gómez¹,

García²,

et al. 2018

Pap. Phys.

View full text Add to dashboard Cite

The order-disorder transition of a sphere-forming block copolymer thin film was numerically studied through a Cahn-Hilliard model. Simulations show that the fundamental mechanisms of pattern formation are spinodal decomposition and nucleation and growth. The range of validity of each relaxation process is controlled by the spinodal and order-disorder temperatures. The initial stages of spinodal decomposition are well approximated by a linear analysis of the evolution equation of the system. In the metastable region, the critical size for nucleation diverges upon approaching the order-disorder transition, and reduces to the size of a single domain as the spinodal is approached. Grain boundaries and topological defects inhibit the formation of superheated phases above the orderdisorder temperature. The numerical results are in good qualitative agreement with experimental data on sphere-forming diblock copolymer thin films.

show abstract

“…Here, the parameter τ is related to temperature by means of the Flory-Huggins parameter χ through [34,35] …”

Section: Modelmentioning

confidence: 99%

Section: Modelmentioning

confidence: 99%

See 1 more Smart Citation

Pattern formation mechanisms in sphere-forming diblock copolymer thin films

Gómez¹,

García²,

et al. 2018

Pap. Phys.

View full text Add to dashboard Cite

show abstract

“…A great deal of simulation work on copolymer melts has been done with timedependent Ginzburg-Landau approaches [364][365][366][367][368][369][370][371][372][373][374][375][376][377][378]. These studies have mostly addressed dynamical questions, i.e., the kinetics of ordering, disordering processes in pure melts [366][367][368][369][370][371][372][373][374] and in mixtures containing copolymers [375][376][377][378].…”

Section: 25)mentioning

confidence: 99%

Theory and Simulation of Multiphase Polymer Systems

Schmid

2011

Handbook of Multiphase Polymer Systems

View full text Add to dashboard Cite

The theory of multiphase polymer systems has a venerable tradition. The 'classical' theory of polymer demixing, the Flory-Huggins theory, was developed in the 1940s [1,2]. It is still the starting point for most current approaches -be they improved theories for polymer (im)miscibility that take into account the microscopic structure of blends more accurately, or sophisticated field theories that allow to study inhomogeneous multicomponent systems of polymers with arbitrary architectures in arbitrary geometries. In contrast, simulations of multiphase polymer systems are quite young. They are still limited by the fact that one must simulate a large number of large molecules in order to obtain meaningful results. Both powerful computers and smart modeling and simulation approaches are necessary to overcome this problem.In the limited space of this chapter, we can only give a taste of the state-of-the-art in both areas, theory and simulation. Since the theory has reached a fairly mature stage by now, many aspects of it are covered in textbooks on polymer physics [3][4][5][6][7][8][9]. The information on the state-of-the art of simulations is much more scattered. This is why we have put some effort into putting together a representative list of references in this area -which is of course still far from complete.The chapter is organized as follows. In Section II, we briefly introduce some basic concepts of polymer theory. The purpose of this part is to make the chapter accessible to readers who are not very familiar with polymer physics; it can safely be skipped by the others. Section III is devoted to the theory of multiphase polymer systems. We recapitulate the Flory-Huggins theory and introduce in particular the concept of the Flory interaction parameter (the χ parameter), which is a central ingredient in most theoretical descriptions of multicomponent polymer systems. Then we focus on one of the most successful mean-field theories for inhomogeneous (co)polymer blends, the self-consistent field theory. We sketch the main idea, discuss various Handbook of Multiphase Polymer Systems, First Edition. Edited by Abderrahim Boudenne, Laurent Ibos, Yves Candau, and Sabu Thomas.

show abstract

“…We emphasize that when the C component is absent y 0 the above model reduces to the well-known model for block copolymers [56][57][58][59] or reactive polymer blends [9,10]. In this case, the evolution of the reactive AB system is governed solely by Eq.…”

Section: The Modelmentioning

confidence: 99%

Modeling the Self‐Assembly of Ternary Blends that Encompass Photosensitive Chemical Reactions: Creating Defect‐Free, Hierarchically Ordered Materials

Kuksenok

Travasso

Dayal

et al. 2010

Encyclopedia of Polymer Blends

View full text Add to dashboard Cite

There is a significant drive to harness self-assembling polymers in various micro electronic devices; the fact that the materials are polymers reduces the cost of fabrication and the self-assembling aspect reduces the number of processing steps, which again reduces cost. However, several critical requirements, typically, must be met before self-assembling polymers can be implemented in the production of electronic components. In particular, the following conditions must be satisfied: 1) the system should form hierarchical structures, with some domains being on the sub-micron or nanoscale scale, while other domains are on the micron scale; 2) the material should be defect free on the mm to cm length scale; 3) it should be possible to form a wide variety of patterns.Researchers have addressed these issues, particularly conditions (2) and (3), by directing the self-organization of block copolymer films with an underlying patterned substrate [1][2][3][4][5]. In this manner, the systems exhibited nanoscale features and macroscopic order (with ordered regions that are 1 cm 2 in size) [2][3][4]. In addition, the substrate could be patterned into non-regular shapes and the overlying copoly mers or copolymer/homopolymer mixture could be made to replicate the underlying design [2][3][4].In recent studies [6-8], we proposed an alternative approach that does not rely on self-assembling copolymers to address the issues listed above. In particular, we used a computational model to demonstrate how homopolymer blends undergoing a photo-induced chemical reaction can yield structures with long-range order in thin films [6, 7] and bulk materials [8]. The process is initiated by shining a spatially uniform light over a photosensitive AB binary homopolymer blend, which thereby undergoes both a reversible chemical reaction and phase separation. We then introduce a well-collimated, higher intensity light source. By rastering this secondary light over the sample we could comb out any defects in the material and thereby create spatially regular, periodic structures. These binary structures resemble either the lamellar or hexagonal phases of microphase-separated diblock copolymers [9, 10].Edited by Avraam I. Isayev

show abstract

Cell dynamics simulations of block copolymers

Cited by 60 publications

References 43 publications

Pattern formation mechanisms in sphere-forming diblock copolymer thin films

Pattern formation mechanisms in sphere-forming diblock copolymer thin films

Theory and Simulation of Multiphase Polymer Systems

Modeling the Self‐Assembly of Ternary Blends that Encompass Photosensitive Chemical Reactions: Creating Defect‐Free, Hierarchically Ordered Materials

Contact Info

Product

Resources

About