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We report molecular dynamics simulation results on the equilibrium properties of polymer thin films adsorbed onto flat and curved substrates. We first systematically determine the contact angle of polymer droplets on flat substrates as a…

Soft Condensed Matter · Physics 2023-12-15 Gabriel Catalini , Nicolás A. García , Daniel A. Vega , Arash Nikoubashman

We investigate the morphology of diblock copolymers in the vicinity of flat, chemically patterned surfaces. Using a Ginzburg-Landau free energy, spatial variations of the order parameter are given in terms of a general two-dimensional…

Soft Condensed Matter · Physics 2009-10-31 Yoav Tsori , David Andelman

Block copolymers often create droplets when placed on a substrate. Such nanostructured droplets can be arranged into regular microstructured arrays, thereby forming hierarchically organized materials that can be used in microelectronics,…

Soft Condensed Matter · Physics 2026-05-04 Artem Petrov , Guillermo A. Hernández-Mendoza , Alfredo Alexander-Katz

While recent efforts have shown how local structure plays an essential role in the dynamic heterogeneity of homogeneous glass-forming materials, systems containing interfaces such as thin films or composite materials remain poorly…

Soft Condensed Matter · Physics 2022-04-27 Entao Yang , James F. Pressly , Bharath Natarajan , Robert Colby , Karen I. Winey , Robert A. Riggleman

The packing geometry of macromolecules in complex mesophases is of key importance to self-organization in synthetic and biological soft materials. While approximate or heuristic models rely on often-untested assumptions about how flexible…

Soft Condensed Matter · Physics 2023-10-05 Benjamin R. Greenvall , Michael S. Dimitriyev , Gregory M. Grason

Co-assembly of inorganic nanoparticles (NPs) and nanostructured polymer matrix represents an intricate interplay of enthalpic or entropic forces. Particle size largely affects the phase behavior of the nanocomposite. Theoretical studies…

Soft Condensed Matter · Physics 2022-04-25 Le Ma , Hejin Huang , Peter Ercius , Alfredo Alexander-Katz , Ting Xu

Understanding how polymer architecture governs transport through nanopores is essential for nanocomposite fabrication, membrane design, and polymer upcycling. However, the effect of the nanoscale structure of copolymers on chain transport…

Soft Condensed Matter · Physics 2026-02-18 Sang Yup Lee , Tae-Young Heo , Uiseok Hwang , Theophile Ienn , Julien Bernard , Robert A Riggleman , Daeyeon Lee

The ordering of nanoparticles into predetermined configurations is of importance to the design of advanced technologies. In this work, we moderate the surface anchoring against the bulk elasticity of liquid crystals to dynamically shape…

Soft Condensed Matter · Physics 2023-12-01 Lisa Tran , Hye-Na Kim , Ningwei Li , Shu Yang , Kathleen J. Stebe , Randall D. Kamien , Martin F. Haase

This paper reports the experimental determination of the growth exponents and activation enthalpies for the ordering process of standing cylinder-forming all-organic polystyrene-block-poly (methyl methacrylate) (PS-b-PMMA) block copolymer…

Soft Condensed Matter · Physics 2018-05-30 Gabriele Seguini , Fabio Zanenga , Michele Laus , Michele Perego

Star block copolymers (s-BCPs) have potential applications as novel surfactants or amphiphiles for emulsification, compatbilization, chemical transformations and separations. s-BCPs are star-shaped macromolecules comprised of linear chains…

We explore the shape and internal structure of diblock copolymer (di-BCP) nanoparticles (NPs) by using the Ginzburg-Landau free-energy expansion. The self-assembly of di-BCP lamellae confined in emulsion droplets can form either ellipsoidal…

Soft Condensed Matter · Physics 2022-05-16 Yanyan Zhu , Bin Zheng , David Andelman , Xingkun Man

The orientation of the lamellae formed by the phase separation of symmetric diblock copolymer thin films is strongly affected by the wetting properties of the polymer blocks with respect to the substrate. On bare silicon wafers the lamellae…

The presence of nanoparticles in a diblock copolymer leads to changes in the morphology and properties of the matrix and can produce highly organized hybrid materials. The resulting material properties depend not only on the polymer…

Soft Condensed Matter · Physics 2018-05-30 Javier Diaz , Marco Pinna , Andrei Zvelindovsky , Adelchi Asta , Ignacio Pagonabarraga

In drying liquid films of polymer-colloid mixtures, the stratification in which polymers are placed on top of larger colloids is studied. It is often presumed that the formation of segregated polymer-colloid layers is solely due to the…

Soft Condensed Matter · Physics 2020-03-12 Kyoungmun Lee , Siyoung Q. Choi

We investigate the effect of chemically patterned surfaces on the morphology of diblock copolymers below the order-disorder transition. Profiles for lamellar phases in contact with one surface, or confined between two surfaces are obtained…

Soft Condensed Matter · Physics 2009-11-07 Yoav Tsori , David Andelman

We study the free-surface deformation dynamics of an immersed glassy thin polymer film supported on a substrate, induced by an air nanobubble at the free surface.We combine analytical and numerical treatments of the glassy thin film…

Materials Science · Physics 2021-04-08 Christian Pedersen , Shuai Ren , Yuliang Wang , Andreas Carlson , Thomas Salez

We study surface effects in amorphous polymer systems by means of computer simulation. In the framework of molecular dynamics, we present two different methods to prepare such surfaces. {\em Free} surfaces are stabilized solely by…

Condensed Matter · Physics 2009-10-28 Thorsten Hapke , Andreas Linke , Gerald Paetzold , Dieter W. Heermann

We present few ordering mechanisms in block copolymer melts in the coarse-graining approach. For chemically homogeneous or modulated confining surfaces, the surface ordering is investigated above and below the order-disorder temperature. In…

Soft Condensed Matter · Physics 2012-01-31 Yoav Tsori , David Andelman

Finding affordable ways of generating high-density ordered nanostructures that can be transferred to a substrate is a major challenge for industrial applications like memories or optical devices with high resolution features. In this work,…

The structure of polymer coils near interfaces between coexisting phases of symmetrical polymer mixtures (AB) is discussed, as well as the structure of symmetric diblock copolymers of the same chain length N adsorbed at the interface. The…

Soft Condensed Matter · Physics 2015-06-25 K. Binder , M. Mueller , F. Schmid , A. Werner