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Microstructural origins of crushing strength for inherently anisotropic brittle materials: We study the crushing strength of brittle materials whose internal structure (e.g., mineral particles or graining) presents a layered arrangement reminiscent of sedimentary and metamorphic rocks. Taking a discrete-element appro...
cond-mat_soft
Aging Dynamics of a Fractal Model Gel: Using molecular dynamics computer simulations we investigate the aging dynamics of a gel. We start from a fractal structure generated by the DLCA-DEF algorithm, onto which we then impose an interaction potential consisting of a short-range attraction as well as a long-range repuls...
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Modelling segregation of flowing bidisperse granular mixtures varying simultaneously in size and density: Flowing granular materials segregate due to differences in particle size (driven by percolation) and density (driven by buoyancy). Modelling the segregation of mixtures of large/heavy particles and small/light pa...
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Simulation of a Single Polymer Chain in Solution by Combining Lattice Boltzmann and Molecular Dynamics: In this paper we establish a new efficient method for simulating polymer-solvent systems which combines a lattice Boltzmann approach for the fluid with a continuum molecular dynamics (MD) model for the polymer chai...
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Long-Tail Feature of DNA Words Over- and Under-Representation in Coding Sequences: We have analyzed DNA sequences of known genes from 16 yeast chromosomes (Saccharomyces cerevisiae) in terms of oligonucleotides. We have noticed that the relative abundances of oligonucleotide usage in the genome follow a long-tail Lev...
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Microscopic derivation of the thin film equation using the Mori-Zwanzig formalism: The hydrodynamics of thin films is typically described using phenomenological models whose connection to the microscopic particle dynamics is a subject of ongoing research. Existing methods based on density functional theory provide a ...
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Mass separation in an asymmetric channel: We present a mechanism to sort out particles of different masses in an asymmetric channel, where the entropic barriers arise naturally and control the diffusion of these particles. When particles are subjected to an oscillatory force, with the scaled amplitude $a$ and frequency...
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Microrheology of non mulberry silk varieties by optical tweezer and video microscopy based techniques: We have carried out a comparative study of the microrheological properties of silk fibroin solutions formed from a variety of silks indigenous to the Indian subcontinent. We present the measured viscoelastic moduli ...
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Oscillating membranes: modeling and controlling autonomous shape-transforming sheets: Living organisms have mastered the dynamic control of internal stresses to perform an array of functions, such as change shape and locomote. State-of-the-art attempts to replicate this ability in synthetic materials are rudimentary ...
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Capillary interactions between soft capsules protruding through thin fluid films: When a suspension dries, the suspending fluid evaporates, leaving behind a dry film composed of the suspended particles. During the final stages of drying, the height of the fluid film on the substrate drops below the particle size, ind...
cond-mat_soft
Curvature-driven instabilities in thin active shells: Spontaneous material shape changes, such as swelling, growth or thermal expansion, can be used to trigger dramatic elastic instabilities in thin shells. These instabilities originate in geometric incompatibility between the preferred extrinsic and intrinsic curvatur...
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Critical aspects of hierarchical protein folding: We argue that the first order folding transitions of proteins observed at physiological chemical conditions end in a critical point for a given temperature and chemical potential of the surrounding water. We investigate this critical point using a hierarchical Hamiltoni...
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Synchronized Fractionation and Phase Separation in Binary Colloids: Fractionation is necessary for self-assembly in multicomponent mixtures. Here, reversible fractionation and crystallization are realized and studied in a two-dimensional binary colloids which is supersaturated by enhancing the attraction between colloi...
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Glassy relaxation in de Vries smectic liquid crystal consisting of bent-core molecules: We report the experimental investigations on a liquid crystal comprised of thiophene-based achiral bent-core banana shaped molecules. The results reveal the presence of a short range nematic phase at high temperatures and a long-r...
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Shapes and singularities in triatic liquid crystal vesicles: Determining the equilibrium configuration and shape of curved two-dimensional films with (generalized) liquid crystalline (LC) order is a difficult infinite dimensional problem of direct relevance to the study of generalized polymersomes, soft matter and the ...
cond-mat_soft
Geometric theory of topological defects: methodological developments and new trends: Liquid crystals generally support orientational singularities of the director field known as topological defects. These latter modifiy transport properties in their vicinity as if the geometry was non-Euclidean. We present a state of...
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Topological packing statistics distinguish living and non-living matter: How much structural information is needed to distinguish living from non-living systems? Here, we show that the statistical properties of Delaunay tessellations suffice to differentiate prokaryotic and eukaroytic cell packings from a wide variety ...
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Relaxation with long-period oscillation in defect turbulence of planar nematic liquid crystals: Through experiments, we studied defect turbulence, a type of spatiotemporal chaos in planar systems of nematic liquid crystals, to clarify the chaotic advection of weak turbulence. In planar systems of large aspect ratio, ...
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The Excluded Area of Superellipse Sector Particles: Superellipse sector particles (SeSPs) are segments of superelliptical curves that form a tunable set of hard-particle shapes for granular and colloidal systems. SeSPs allow for continuous parameterization of corner sharpness, aspect ratio, and particle curvature; rods...
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Observation of Heteronuclear Feshbach Resonances in a Bose-Fermi Mixture: Three magnetic-field induced heteronuclear Feshbach resonances were identified in collisions between bosonic 87Rb and fermionic 40K atoms in their absolute ground states. Strong inelastic loss from an optically trapped mixture was observed at the...
cond-mat_soft
Testing quantum correlations in a confined atomic cloud by scattering fast atoms: We suggest measuring one-particle density matrix of a trapped ultracold atomic cloud by scattering fast atoms in a pure momentum state off the cloud. The lowest-order probability of the inelastic process, resulting in a pair of outcomin...
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Shear Induced Pressure Determines a Reduction in Polymer Radius: Shear induced particle pressure has been measured and modelled for concentrated suspensions of particles. Importantly, the significance of the shear induced particle pressure has not been recognized in polymer rheology. The shear induced particle pressure...
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Self-assembly and crystallisation of indented colloids at a planar wall: We report experimental and simulation studies of the structure of a monolayer of indented ("lock and key") colloids, on a planar surface. On adding a non-absorbing polymer with prescribed radius and volume fraction, depletion interactions are indu...
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Steady state particle distribution of a dilute sedimenting suspension: Sedimentation of a non-Brownian suspension of hard particles is studied. It is shown that in the low concentration limit a two-particle distribution function ensuring finite particle correlation length can be found and explicitly calculated. The sed...
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The effect of inter-cluster interactions on the structure of colloidal clusters: Colloidal systems present exciting opportunities to study clusters. Unlike atomic clusters, which are frequently produced at extremely low density, colloidal clusters may interact with one another. Here we consider the effect of such int...
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Ion association in low-polarity solvents: comparisons between theory, simulation, and experiment: The association of ions in electrolyte solutions at very low concentration and low temperature is studied using computer simulations and quasi-chemical ion-pairing theory. The specific case of the restricted primitive mo...
cond-mat_soft
Accelerating Copolymer Inverse Design using AI Gaming algorithm: There exists a broad class of sequencing problems, for example, in proteins and polymers that can be formulated as a heuristic search algorithm that involve decision making akin to a computer game. AI gaming algorithms such as Monte Carlo tree search (MCT...
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Random Isotropic Structures and Possible Glass Transitions in Diblock Copolymer Melts: We study the microstructural glass transitions in diblock-copolymer melts using a thermodynamic replica approach. Our approach performs an expansion in terms of the natural smallness parameter -- the inverse of the scaled degree of...
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Tensile elasticity of semiflexible polymers with hinge defects: It has become clear in recent years that the simple uniform wormlike chain model needs to be modified in order to account for more complex behavior which has been observed experimentally in some important biopolymers. For example, the large flexibility of ...
cond-mat_soft
Transients in sheared granular matter: As dense granular materials are sheared, a shear band and an anisotropic force network form. The approach to steady state behavior depends on the history of the packing and the existing force and contact network. We present experiments on shearing of dense granular matter in a 2D ...
cond-mat_soft
DNA capture into the ClyA nanopore: diffusion-limited versus reaction-limited processes: The capture and translocation of biomolecules through nanometer-scale pores are processes with a potential large number of applications, and hence they have been intensively studied in the recent years. The aim of this paper is t...
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Sedimentation stacking diagram of binary colloidal mixtures and bulk phases in the plane of chemical potentials: We give a full account of a recently proposed theory that explicitly relates the bulk phase diagram of a binary colloidal mixture to its phase stacking phenomenology under gravity [Soft Matter 9, 8636 (201...
cond-mat_soft
W-potentials in nonlinear biophysics of microtubules: In the present article we investigate the nonlinear dynamics of microtubules, the basic components of the eukaryotic cytoskeleton, and rely on the known general model. A crucial interaction among constitutive particles is modelled using W-potential. Three kinds of t...
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Knots in Macromolecules in Constraint Space: We find a power law for the number of knot-monomers with an exponent $0.39 \pm0.13$ in agreement with previous simulations. For the average size of a knot we also obtain a power law $N_m=2.56\cdot N^{0.20\pm0.04}$. We further present data on the average number of knots given...
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Glass transition in Ultrathin Polymer Films : A Thermal Expansion Study: Glass transition process gets affected in ultrathin films having thickness comparable to the size of the molecules. We observe systematic broadening of glass transition temperature (Tg) as the thickness of the polymer film reduces below the radius...
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Anomalous Front Broadening During Spontaneous Imbibition in a Matrix with Elongated Pores: During spontaneous imbibition a wetting liquid is drawn into a porous medium by capillary forces. In systems with comparable pore length and diameter, such as paper and sand, the front of the propagating liquid forms a continuo...
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On Exact Solutions to the Cylindrical Poisson-Boltzmann Equation with Applications to Polyelectrolytes: Using exact results from the theory of completely integrable systems of the Painleve/Toda type, we examine the consequences for the theory of polyelectrolytes in the (nonlinear) Poisson-Boltzmann approximation.
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The Influence on Crystal Nucleation of an Order-Disorder Transition among the Subcritical Clusters: Studies of nucleation generally focus on the properties of the critical cluster, but the presence of defects within the crystal lattice means that the population of nuclei necessarily evolve through a distribution of p...
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Plasticity of a colloidal polycrystal under cyclic shear: We use confocal microscopy and time-resolved light scattering to investigate plasticity in a col- loidal polycrystal, following the evolution of the network of grain boundaries as the sample is submitted to thousands of shear deformation cycles. The grain bounda...
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Current rectification and ionic selectivity of alpha-hemolysin: Coarse-Grained Molecular Dynamics simulations: In order to understand the physical processes of nanopore experiments at the molecular level, microscopic information from molecular dynamics is greatly needed. Coarse-grained models are a good alternative t...
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Dynamic Control of Particle Deposition in Evaporating Droplets by an External Point Source of Vapor: The deposition of particles on a surface by an evaporating sessile droplet is important for phenomena as diverse as printing, thin-film deposition and self-assembly. The shape of the final deposit depends on the flows...
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Optimized Constant Pressure Stochastic Dynamics: A recently proposed method for computer simulations in the isothermal-isobaric (NPT) ensemble, based on Langevin-type equations of motion for the particle coordinates and the ``piston'' degree of freedom, is re-derived by straightforward application of the standard Krame...
cond-mat_soft
Dense granular flow of mixtures of spheres and dumbbells down a rough inclined plane: Segregation and rheology: We study the flow of equal-volume binary granular mixtures of spheres and dumbbells with different aspect ratios down a rough inclined plane, using the discrete element method. We consider two types of mixt...
cond-mat_soft
Confinement-mediated phase behavior of hydrocarbon fluids: Insights from Monte Carlo simulations: The phase behavior of hydrocarbon fluids confined in porous media has been reported to deviate significantly from that in the bulk environment due to the existence of sub-10nm pores. Though experiments and simulations ha...
cond-mat_soft
Self-assembly of anisotropic soft particles in two dimensions: The self assembly of core-corona discs interacting via anisotropic potentials is investigated using Monte Carlo computer simulations. A minimal interaction potential that incorporates anisotropy in a simple way is introduced. It consists in a core-corona ar...
cond-mat_soft
Long-range interactions & parallel scalability in molecular simulations: Typical biomolecular systems such as cellular membranes, DNA, and protein complexes are highly charged. Thus, efficient and accurate treatment of electrostatic interactions is of great importance in computational modelling of such systems. We have...
cond-mat_soft
Collective states of active particles with elastic dipolar interactions: Many types of mammalian cells exert active contractile forces and mechanically deform their elastic substrate, to accomplish biological functions such as cell migration. These substrate deformations provide a mechanism by which cells can sense oth...
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Transport and phase separation of active Brownian particles in fluctuating environments: In this work, we study the dynamics of a single active Brownian particle, as well as the collective behavior of interacting active Brownian particles, in a fluctuating heterogeneous environment. We employ a variant of the diffusi...
cond-mat_soft
Molecular theory of hydrophobic mismatch between lipids and peptides: Effects of the mismatch between the hydrophobic length, d, of transmembrane alpha helices of integral proteins and the hydrophobic thickness, D_h, of the membranes they span are studied theoretically utilizing a microscopic model of lipids. In partic...
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A Discotic Disguised as a Smectic: A Hybrid Columnar Bragg Glass: We show that discotics, lying deep in the columnar phase, can exhibit an x-ray scattering pattern which mimics that of a somewhat unusual smectic liquid crystal. This exotic, new glassy phase of columnar liquid crystals, which we call a ``hybrid columnar...
cond-mat_soft
Manifestation of the collective drift of molecules in argon according to their mean square displacements: The mean square displacement (MSD) of an argon molecule as a function of time is studied. Its deviations from the standard asymptotic law for intermediate times are analyzed in details. It is shown that these dev...
cond-mat_soft
Friction Scaling Laws for Transport in Bacterial Turbulence: Understanding the role of frictional drag in diffusive transport is an important problem in the field of active turbulence. Using a continuum model that applies well to bacterial suspensions, we investigate the role of Ekmann friction on the transport of pass...
cond-mat_soft
Liquid droplets on a free-standing glassy membrane: deformation through the glass transition: In this study, micro-droplets are placed on thin, glassy, free-standing films where the Laplace pressure of the droplet deforms the free-standing film, creating a bulge. The film's tension is modulated by changing temperatur...
cond-mat_soft
Topology of Complex Bridges inside Vibrated Dry Granular Media: After some communications (EMAIL EXCHANGE) with the co-authors, this article has been withdrawn (for appropriate reason, please refer to the comments section).
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Cooperative rheological state-switching of enzymatically-driven composites of circular DNA and dextran: Polymer topology, which plays a principal role in the rheology of polymeric fluids, and non-equilibrium materials, which exhibit time-varying rheological properties, are topics of intense investigation. Here, we pu...
cond-mat_soft
Temperature (de)activated patchy colloidal particles: We present a new model of patchy particles in which the interaction sites can be activated or deactivated by varying the temperature of the system. We study the thermodynamics of the system by means of Wertheim's first order perturbation theory, and use Flory-Stockm...
cond-mat_soft
When is a surface foam-phobic or foam-philic?: By integrating the Young-Laplace equation, including the effects of gravity, we have calculated the equilibrium shape of the two-dimensional Plateau borders along which a vertical soap film contacts two flat, horizontal solid substrates of given wettability. We show that t...
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Instabilities and shape variation phase transitions in tubular lipid membranes: Changes of external parameters in proximity of critical point can increase thermal fluctuations of tubular lipid membrane (TLM) and result in variation of the membrane shape. The phase transitions in the system are shown to be controlled ...
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Partial clustering prevents global crystallization in a binary 2D colloidal glass former: A mixture of two types of super-paramagnetic colloidal particles with long range dipolar interaction is confined by gravity to a flat interface of a hanging water droplet. The particles are observed by video microscopy and the d...
cond-mat_soft
Nonequilibrium steady states in fluids of platelike colloidal particles: Nonequilibrium steady states in an open system connecting two reservoirs of platelike colloidal particles are investigated by means of a recently proposed phenomenological dynamic density functional theory [M. Bier and R. van Roij, Phys. Rev. E 76...
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Impact of dipole-dipole interactions on motility-induced phase separation: We present a hydrodynamic theory for systems of dipolar active Brownian particles which, in the regime of weak dipolar coupling, predicts the onset of motility-induced phase separation (MIPS), consistent with Brownian dynamics (BD) simulations...
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Minimum Entropy Production by Microswimmers with Internal Dissipation: The energy dissipation and entropy production by self-propelled microswimmers differ profoundly from passive particles pulled by external forces. The difference extends both to the shape of the flow around the swimmer, as well as to the internal dis...
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Hidden symmetries generate rigid folding mechanisms in periodic origami: We consider the zero-energy deformations of periodic origami sheets with generic crease patterns. Using a mapping from the linear folding motions of such sheets to force-bearing modes in conjunction with the Maxwell-Calladine index theorem we deri...
cond-mat_soft
Fractional Debye-Stokes-Einstein behaviour in an ultraviscous nanocolloid: glycerol and silver nanoparticles: One of hallmark features of glass forming ultraviscous liquids is the decoupling between translational and orientational dynamics. This report presents studies of this phenomenon in glycerol, a canonical mole...
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Enhanced stability of tetratic phase due to clustering: We show that the relative stability of the nematic tetratic phase with respect to the usual uniaxial nematic phase can be greatly enhanced by clustering effects. Two--dimensional rectangles of aspect ratio $\kappa$ interacting via hard interactions are considered,...
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Statistical field theory for a multicomponent fluid: The collective variables approach: Using the collective variables (CV) method the basic relations of statistical field theory of a multicomponent non-homogeneous fluids are reconsidered. The corresponding CV action depends on two sets of scalar fields - fields $\rh...
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Smectic-$A$ elastomers with weak director anchoring: Experimentally it is possible to manipulate the director in a (chiral) smectic-$A$ elastomer using an electric field. This suggests that the director is not necessarily locked to the layer normal, as described in earlier papers that extended rubber elasticity theory ...
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A systematically coarse-grained model for DNA, and its predictions for persistence length, stacking, twist, and chirality: We introduce a coarse-grained model of DNA with bases modeled as rigid-body ellipsoids to capture their anisotropic stereochemistry. Interaction potentials are all physicochemical and generated f...
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General theory of charge regulation within the Poisson-Boltzmann framework: study of a sticky-charged wall model: This work introduces a sticky-charge wall model as a simple and intuitive representation of charge regulation. Implemented within the mean-field level of description, the model modifies the boundary condi...
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Jet-driven viscous locomotion of confined thermoresponsive microgels: We consider the dynamics of micro-sized, asymmetrically-coated thermoresponsive hydrogel ribbons (microgels) under periodic heating and cooling in the confined space between two planar surfaces. As the result of the temperature changes, the volume an...
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Universal criterion for designability of heteropolymers: Proteins are an example of heteropolymers able to self-assemble in specific target structures. The self-assembly of designed artificial heteropolymers is still, to the best of our knowledge, not possible with control over the single chain self-assembling properti...
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Surface-Mediated Molecular Transport of a Lipophilic Fluorescent Probe in Polydisperse Oil-in-Water Emulsions: Emulsions often act as carriers for water-insoluble solutes that are delivered to a specific target. The molecular transport of solutes in emulsions can be facilitated by surfactants and is often limited by ...
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Constraints on fundamental physical constants from bio-friendly viscosity and diffusion: The problem of understanding fundamental physical constants was discussed in particle physics, astronomy and cosmology. Here, I show that a new insight comes from condensed matter physics and liquid physics in particular: fundame...
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Wall-Fluid and Liquid-Gas Interfaces of Model Colloid-Polymer Mixtures by Simulation and Theory: We perform a study of the interfacial properties of a model suspension of hard sphere colloids with diameter $\sigma_c$ and non-adsorbing ideal polymer coils with diameter $\sigma_p$. For the mixture in contact with a pla...
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The role of the extra cellular matrix on memory: We expose first a biological model of memory based on one hand of the mechanical oscillations of axons during action potential and on the other hand on the changes in the extra cellular matrix composition when a mechanical strain is applied on it. Due to these changes, t...
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Adhesion of microcapsules: The adhesion of microcapsules to an attractive contact potential is studied theoretically. The axisymmetric shape equations are solved numerically. Beyond a universal threshold strength of the potential, the contact radius increases like a square root of the strength. Scaling functions for th...
cond-mat_soft
Relaxation in homogeneous and non-homogeneous polarized systems. A mesoscopic entropy approach: The dynamics of a degree of freedom associated to an axial vector in contact with a heat bath is decribed by means of a probability distribution function obeying a Fokker-Planck equation. The equation is derived by using m...
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Measurements of the self-assembly kinetics of individual viral capsids around their RNA genome: The formation of a viral capsid -- the highly-ordered protein shell that surrounds the genome of a virus -- is the canonical example of self-assembly. The capsids of many positive-sense RNA viruses spontaneously assemble f...
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A molecular dynamics computer simulation study of room-temperature ionic liquids. I. Equilibrium solvation structure and free energetics: Solvation in 1-ethyl-3-methylmidazolium chloride and in 1-ethyl-3-methylimidazolium hexafluorophosphate near equilibrium is investigated via molecular dynamics computer simulations...
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Orientational relaxation in a discotic liquid crystal: We investigate orientational relaxation of a model discotic liquid crystal, consists of disc-like molecules, by molecular dynamics simulations along two isobars starting from the high temperature isotropic phase. The two isobars have been so chosen that (A) the pha...
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Length distribution of stiff, self-assembled polymers at thermal equilibrium: We investigate the length distribution of self-assembled, long and stiff polymers at thermal equilibrium. Our analysis is based on calculating the partition functions of stiff polymers of variable lengths in the elastic regime. Our conclusi...
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Electrophoretic separation of large DNAs using steric confinement: We report an alternative method for electrophoretic separation of large DNAs using steric confinement between solid walls, without gel or obstacles. The change of electrophoretic mobility vs confinement thickness is investigated using fluorescence video...
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Effect of shear flow on Wormlike micelles: We use a hybrid method that combines the Multiparticle collision dynamics (MPCD) for solvent particles with the molecular dynamics for equilibrium polymers to simulate the shearing of the equilibrium polymers (or Wormlike micelles) at a mesoscopic length scale. The MPCD method...
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Charge and hydration structure of dendritic polyelectrolytes: molecular simulations of polyglycerol sulphate: Macromolecules based on dendritic or hyperbranched polyelectrolytes have been emerging as high potential candidates for biomedical applications. Here we study the charge and solvation structure of dendritic p...
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Membrane budding driven by intra-cellular ESCRT-III filaments: Exocytosis is a common transport mechanism via which cells transport out non-essential macro-molecules (cargo) into the extra cellular space. ESCRT-III proteins are known to help in this. They polymerize into a conical spring like structure and help deform ...
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Ordering in granular rod monolayers driven far from thermodynamic equilibrium: The orientational order in vertically agitated granular rod monolayers is investigated experimentally and compared quantitatively with equilibrium Monte Carlo simulations and density functional theory. At sufficiently high number density, ...
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Effective Landau theory of ferronematics: An effective Landau-like description of ferronematics, i.e., suspensions of magnetic colloidal particles in a nematic liquid crystal (NLC), is developed in terms of the corresponding magnetization and nematic director fields. The study is based on a microscopic model and on cla...
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Estimating the density-scaling exponent of a monatomic liquid from its pair potential: This paper investigates two conjectures for calculating the density dependence of the density-scaling exponent of a single-component, pair-potential liquid with strong virial potential-energy correlations. The first conjecture give...
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Translocation Dynamics with Attractive Nanopore-Polymer Interactions: Using Langevin dynamics simulations, we investigate the influence of polymer-pore interactions on the dynamics of biopolymer translocation through nanopores. We find that an attractive interaction can significantly change the translocation dynamics. ...
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Dielectric study on mixtures of ionic liquids: Ionic liquids are promising candidates for electrolytes in energy-storage systems. We demonstrate that mixing two ionic liquids allows to precisely tune their physical properties, like the dc conductivity. Moreover, these mixtures enable the gradual modification of the fra...
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Steady vs. Dynamic Contributions of Different Doped Conducting Polymers in the Principal Components of an Electronic Nose's Response: Multivariate data analysis and machine-learning classification become popular tools to extract features without physical models for complex environments recognition. For electronic nos...
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Viscous Mechano-Electric Response of Ferroelectric Nematic Liquid: Direct viscous mechano-electric response is demonstrated for a room-temperature ferroelectric nematic liquid, which combines large spontaneous electric polarization with 3D fluidity. The mechano-electric transduction is observed in the frequency range 1...
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Onset of glassiness in two-dimensional ring polymers: interplay of stiffness and crowding: The effect of ring stiffness and pressure on the glassy dynamics of a thermal assembly of two-dimensional ring polymers is investigated using extensive coarse-grained molecular dynamics simulations. In all cases, dynamical slow...
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Thermodynamics of protein folding: a random matrix formulation: The process of protein folding from an unfolded state to a biologically active, folded conformation is governed by many parameters e.g the sequence of amino acids, intermolecular interactions, the solvent, temperature and chaperon molecules. Our study, bas...
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Superposition of macroscopic numbers of atoms and molecules: We theoretically examine photoassociation of a non-ideal Bose-Einstein condensate, focusing on evidence for a macroscopic superposition of atoms and molecules. This problem raises an interest because, rather than two states of a given object, an atom-molecule...
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Shear-induced reinforcement in boehmite gels: a rheo-X-ray-scattering study: Boehmite, an aluminum oxide hydroxide $\gamma$-AlO(OH), is broadly used in the form of particulate dispersions in industrial applications, e.g., for the fabrication of ceramics and catalyst supports or as a binder for extrusion processes. Un...
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Free energy of alternating two-component polymer brushes on cylindrical templates: We use computer simulations to investigate the stability of a two-component polymer brush de-mixing on a curved template into phases of different morphological properties. It has been previously shown via molecular dynamics simulations...
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First-principles molecular dynamics study of deuterium diffusion in liquid tin: Understanding the retention of hydrogen isotopes in liquid metals, such as lithium and tin, is of great importance in designing a liquid plasma-facing component in fusion reactors. However, experimental diffusivity data of hydrogen isotop...
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A kinetic perspective of charge transfer reactions: the downfall of hard/soft acid/base interactions: We show how to incorporate the possibility of kinetic control in the conceptual Density Functional Theory formalism. This allow us to prove that the hard/soft acid/base principle will likely fail when the reactions a...
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Statistical mechanics of two-dimensional foams: Physical foundations of the model: In a recent series of papers [1--3], a statistical model that accounts for correlations between topological and geometrical properties of a two-dimensional shuffled foam has been proposed and compared with experimental and numerical da...
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