Search arXivSearch

arXiv · 1701.01018

Effects of particles on spinodal decomposition: A Phase field study

Abstract

In this thesis, we study the interplay of phase separation and wetting in multicomponent systems. For this purpose, we have examined the phase separation pattern of a binary mixture (AB) in presence of stationary spherical particles (C) which prefers one of the components of the binary (say, A). Binary AB is composed of critical composition(50:50) and off-critical compositions(60:40, 40:60). Particle sizes of 8 units and 16 units are used in the simulations. Two types of particle loading are used, 5\% and 10\%. We have employed a ternary form of Cahn-Hilliard equation to incorporate immobile fillers in our system. To elucidate the effect of wetting on phase separation we have designed three sets of $χ_{ij}$ and $κ_{ij}$ to include the effects of neutral preference, weak preference and strong preference of the particle for one of the binary components. If the particles are preferentially wetted by one of the components then early stage microstructures show transient concentric alternate layers of preferred and non-preferred phases around the particles. When particles are neutral to binary components then such a ring pattern does not form. At late times, neutral preference between particles and binary components yields a continuous morphology whereas preferential wetting produces isolated domains of non-preferred phases dispersed in a continuous matrix of preferred phase. For off-critical compositions, if minor component wets the particle then a bicontinuous morphology results whereas if major component wets the network a droplet morphology is seen. When majority component wets the particle, a possibility of double phase separation is reported. In such alloys phase separation starts near the particle surface and propagates to the bulk at intermediate to late times forming spherical or nearly spherical droplets of the minor component.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Supriyo Ghosh. 2020-05-04. Effects of particles on spinodal decomposition: A Phase field study. https://arxiv.org/abs/1701.01018

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

Scale dependent chirality in twist-bend liquid crystals

The discovery of new classes of lyotropic and thermotropic liquid crystals (e.g., twist-bend, splay, and ferroelectric phases), together with significant advances in experimental techniques for their investigation, has renewed interest in a number of physical phenomena that have been studied in classical liquid crystals (nematics, cholesterics, and smectics) for more than a century. In this paper, we revisit one such ''old--new'' problem, recently highlighted in the preprint by A. Ashkinazi, H. Chhabra, A. El Moumane, M. M. C. Tortora, and J. P. K. Doye, ''Chirality Transfer in Lyotropic Twist-Bend Nematics,'' arXiv:2508.03544v1 (2025), in which various mechanisms of chirality transfer from the molecular scale to the structural scale were discussed. Here we present a simple theoretical analysis of chirality transfer within a Landau theory describing the phase transition between cholesteric and chiral twist-bend liquid crystals. We demonstrate that the handedness of the heliconical structure is opposite to that of the parent cholesteric phase. This relationship originates from the orthogonality between the cholesteric director and the vector order parameter characterizing the phase.

cond-mat.soft

Why life is hot

The process of evolution by natural selection leads to phenotypes of increasing fitness. For cellular chemical reaction networks, this means optimising a variety of fitness functions such as robustness, precision, or sensitivity to external stimuli. We argue that these diverse goals can be achieved by a versatile, generic mechanism: coupling chemical reaction networks to reservoirs that are strongly out of equilibrium. Using theory and numerics we show that this mechanism of optimisation comes at the price of significant heat dissipation. We compute the heat flux caused by kinetic proofreading in {\it Escherichia coli} and show that it constitutes a significant fraction of the total heat flux experimentally measured in this model organism. We then demonstrate that the degree of optimality achievable saturates, and that Nature appears to operate near saturation despite high energetic costs. We argue that `life is hot' largely because of the need for a versatile mechanism to optimise a variety of fitness functions.

cond-mat.soft

Understanding Structural Representation in Foundation Models for Polymers

From the relative scarcity of training data to the lack of standardized benchmarks, the creation of effective foundation models for polymers faces significant and multi-faceted challenges. At the core, many of these issues are tied directly to the structural representation of polymers. Here, we present a chemical language foundation model built on using a SMILES-based polymer graph representation (CPG) that incorporates polymer architectural features and connectivity that are often missing in other line notations. This foundation model exhibited excellent performance on 30 different polymer property benchmark datasets. Critical evaluation of the developed representation against other variations in control experiments reveals this approach to be a robust method of representing polymers in language-based foundation models. These experiments also reveal a strong invariance of structural representations to small perturbations, with many variations of structural representation exceeding or equaling state-of-the-art (SOTA) performance. Surprisingly, SMILES representations which are chemically or semantically invalid also provided near or SOTA performance in several instances--underscoring an unexamined blind spot in the development of chemistry language models. Examination of error sources and attention maps for the evaluated structural representations corroborate the findings of the control experiments, highlighting the ability of the model to interpolate SMILES sequence space in a manner that is loosely congruent to chemical and architectural space for polymers. Overall, this work highlights the surprising robustness of chemistry language models to structural representation perturbations and identifies the conditions under which CPG representation provides meaningful advantages.

cond-mat.soft