Related papers: Associative and Segregative Liquid-Liquid Phase Se…
Recent advances in nano-rheology require that new methods and models be developed to describe the equilibrium and non-equilibrium properties of entangled polymeric materials and their interfaces at a molecular level of detail. In this work…
We consider and compare the structural properties of bulk TIP4P water and of a sodium chloride aqueous solution in TIP4P water with concentration c = 0.67 mol/kg, in the metastable supercooled region. In a previous paper [D. Corradini, M.…
The phase behavior of a cross-linked polymer blend made of two incompatible species, $A$ and $B$, of different chemical nature is analyzed. Besides a homogeneous phase, this system also exhibits two microphases and a phase of total…
Machine learning interatomic potentials (MLIPs) have become a workhorse of modern atomistic simulations, and recently published universal MLIPs, pre-trained on large datasets, have demonstrated remarkable accuracy and generalizability.…
In this work insights into the structural rearrangements occurring in aqueous solution, prior to the nucleation of different 4'-hydroxyacetophenone (HAP) forms from water were obtained, through a combination of thermomicroscopy,…
In numerous solution-processed thin films, a complex morphology resulting from liquid-liquid phase separation (LLPS) or from polycrystallization arises during the drying or subsequent processing steps. The morphology has a strong influence…
Active phase separations evade canonical thermodynamic descriptions and have thus challenged our understanding of coexistence and interfacial phenomena. Considerable progress has been made towards a non-equilibrium theoretical description…
We present a scaled particle density functional study of two-dimensional binary mixtures of hard convex particles with one or both species being ellipses. In particular, we divide our study into two parts. The first part is devoted to the…
It has been hypothesized that liquid polyamorphism, the existence of multiple amorphous states in a single component substance, may be caused by molecular or supramolecular interconversion. A simple microscopic model [Caupin and Anisimov,…
We analyze motility-induced phase separation and bubbly phase separation in a two-dimensional lattice model of self-propelled particles. We compare systems where the dense (liquid) phase has slab and droplet geometries. We find that…
The relation between liquid-liquid phase transitions and waterlike density anomalies in core-softened potentials of fluids was investigated in an exactly solvable one dimensional lattice model and a in a three dimensional fluid with…
Understanding how microscopic motility shapes emergent collective behaviors is a challenging task in active matter, especially when self-propulsion is regulated by external cues or via quorum-sensing interactions. To address this problem,…
We consider a system of spherical colloidal particles with a size polydispersity and use a simple van der Waals description in order to study the combined effect of both the polydispersity and the spatial non-uniformity induced by a planar…
We report the effect of interstitial fluid on the extent of segregation by imaging the pile that results after bidisperse color-coded particles are poured into a silo. Segregation is sharply reduced and preferential clumping of small…
The effective solid liquid interfacial tension (SL IFT) between pure liquids and rough solid surfaces is studied through coarse grained simulations. Using the dissipative particle dynamics method, we design solid liquid interfaces,…
Proteins and nucleic acids can spontaneously self-assemble into membraneless droplet-like compartments, both in vitro and in vivo. A key component of these droplets are multi-valent proteins that possess several adhesive domains with…
For classical discrete system under constant composition, typically reffered to as substitutional alloys, correspondence between interatomic many-body interactions and structure in thermodynamic equilibrium exhibit profound, complicated…
Materials with strong electronic correlations may exhibit a superconducting (SC) phase when tuning some parameters, but they almost always also have multiple other phases, typically insulating ones, that are in close competition with SC. It…
We study motility-induced phase separation~(MIPS) in active AB binary mixtures undergoing the chemical reaction $A \rightleftharpoons B$. Starting from the evolution equations for the density fields $\rho_i(\vec r, t)$ describing MIPS, we…
Self-rewetting fluids (SRFs), such as aqueous solutions of long-chain alcohols, exhibit anomalous quadratic dependence of surface tension on temperature having a minimum and with a positive gradient. When compared to the normal fluids…