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The curvature dependence of interfacial free energy, which is crucial in quantitatively predicting nucleation kinetics and the stability of bubbles and droplets, can be described in terms of the Tolman length {\delta}. For solid-liquid…

Statistical Mechanics · Physics 2018-08-01 Bingqing Cheng , Michele Ceriotti

Letting free polymers diffuse from solution into a crosslinked polymer gel is often a crucial processing step in the synthesis of multiphase polymer-based gels, e.g., core-shell microgels. Here we use coarse-grained molecular dynamics…

Soft Condensed Matter · Physics 2024-12-17 Jude Ann Vishnu , Torsten Gereon Linder , Sebastian Seiffert , Friederike Schmid

We analyze a (1+1)-dimension directed random walk model of a polymer dipped in a medium constituted by two immiscible solvents separated by a flat interface. The polymer chain is heterogeneous in the sense that a single monomer may…

Probability · Mathematics 2007-05-23 Erwin Bolthausen , Giambattista Giacomin

We review recent simulation studies of interfaces between immiscible homopolymer phases. Special emphasis is given to the presentation of efficient simulation techniques and powerful methods of data analysis, such as the analysis of…

Soft Condensed Matter · Physics 2016-11-03 M. Mueller , F. Schmid

Many multiphase fluid systems, such as those involving immiscible polymers or liquid-liquid systems with surfactants, have shown a breakdown of the no-slip condition at the material interface. This results in systems where the tangential…

Fluid Dynamics · Physics 2023-04-05 Afsoun Rahnama Falavarjani , David Salac

A coarse grained description of a two phase fluid is used to study the steady state configuration of the interface separating the coexisting phases, and the motion of the contact line at which the interface intersects a solid boundary. The…

Statistical Mechanics · Physics 2009-10-31 Hsuan-Yi Chen , David Jasnow , Jorge Vinals

The results obtained from molecular dynamics simulations of the friction at an interface between polymer melts and weakly attractive crystalline surfaces are reported. We consider a coarse-grained bead-spring model of linear chains with…

Soft Condensed Matter · Physics 2012-06-12 Nikolai V. Priezjev

A brief review of modeling and simulation methods for a study of polymers at interfaces is provided. When studying truly multiscale problems as provided by realistic polymer systems, coarse graining is practically unavoidable. In this…

Soft Condensed Matter · Physics 2009-10-19 Fathollah Varnik , Kurt Binder

We investigate numerically, using the bond-fluctuation model, the adsorption of many random AB--copolymers with excluded volume interactions at the interface between two solvents. We find two regimes, controlled by the total number of…

Soft Condensed Matter · Physics 2007-05-23 Gongwen Peng , Jens-Uwe Sommer , Alexander Blumen

A coarse-grained multi-blob description of polymer solutions is presented, based on soft, transferable effective interactions between bonded and non-bonded blobs. The number of blobs is chosen such that the blob density does not exceed…

Soft Condensed Matter · Physics 2009-11-13 Carlo Pierleoni , Barbara Capone , Jean-Pierre Hansen

The density profile and surface tension for the interface of phase-separated colloid-polymer mixtures have been studied in the framework of the square gradient approximation for both ideal and interacting polymers in good solvent. The…

Soft Condensed Matter · Physics 2009-11-10 A. Moncho-Jorda , B. Rotenberg , A. A. Louis

The interfacial tension of a liquid droplet surrounded by another liquid in the presence of microscopic ions is studied as a function of the droplet radius. An analytical expression for the interfacial tension is obtained within a linear…

Soft Condensed Matter · Physics 2011-09-14 Markus Bier , Joost de Graaf , Jos Zwanikken , Rene van Roij

Molecular dynamics simulations of a short-chain polymer melt between two brush-covered surfaces under shear have been performed. The end-grafted polymers which constitute the brush have the same chemical properties as the free chains in the…

Soft Condensed Matter · Physics 2016-08-31 Claudio Pastorino , Torsten Kreer , Marcus Mueller , Kurt Binder

Curved fluid interfaces are investigated on the nanometre length scale by molecular dynamics simulation. Thereby, droplets surrounded by a metastable vapour phase are stabilized in the canonical ensemble. Analogous simulations are conducted…

In equilibrium the interface potential that describes the interaction between two AB interfaces in a binary blend of A and B homopolymers is attractive at all distances, resulting in coarsening of the blend morphology even in the absence of…

Soft Condensed Matter · Physics 2019-06-18 Louis Pigard , Marcus Müller

We study closed liquid membranes that segregate into three phases due to differences in the chemical and physical properties of its components. The shape and in-plane membrane arrangement of the phases are coupled through phase-specific…

Soft Condensed Matter · Physics 2012-08-17 Matthew F. Demers , Rastko Sknepnek , Monica Olvera de la Cruz

This paper studies a polymer chain in the vicinity of a linear interface separating two immiscible solvents. The polymer consists of random monomer types, while the interface carries random charges. Both the monomer types and the charges…

Probability · Mathematics 2015-06-05 Frank den Hollander , Alex A. Opoku

A popular concept which describes the structure of polymer interfaces by ``intrinsic profiles'' centered around a two dimensional surface, the ``local interface position'', is tested by extensive Monte Carlo simulations of interfaces…

Soft Condensed Matter · Physics 2009-10-31 A. Werner , F. Schmid , M. Mueller , K. Binder

We study the thermodynamics of binary mixtures with the volume fraction of the minority component less than the amount required to form a flat interface and show that the surface tension dominated equilibrium phase of the mixture forms a…

Soft Condensed Matter · Physics 2023-03-07 Subhadip Biswas , Biswaroop Mukherjee , Buddhapriya Chakrabarti

Multiphase flows are characterized by sharp moving interfaces, separating different fluids or phases. In many cases the dynamics of the interface determines the behavior of the flow. In a coarse, or reduced order model, it may therefore be…

Fluid Dynamics · Physics 2021-08-12 Xianyang Chen , Jiacai Lu , Gretar Tryggvason
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