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Polymers with both soluble and insoluble blocks typically self-assemble into micelles, aggregates of a finite number of polymers where the soluble blocks shield the insoluble ones from contact with the solvent. Upon increasing…
In this study, we compare two analytic energy balance models with explicit dependence on obliquity to study the likelihood of different stable ice configurations. We compare the results of models with different methods of heat transport and…
In contrast to simple monatomic alkali and halide ions, complex polyatomic ions like nitrate, acetate, nitrite, chlorate etc. have not been studied in any great detail. Experiments have shown that diffusion of polyatomic ions exhibits many…
The stability of a ternary system composed of decane/water/Aerosol-OT and salt is revisited. Phase diagrams and emulsions similar in composition to those previously studied by Hofman and Stein [Hofman, 1991] were made. Ac- cording to our…
A recent version of statistical associating fluid theory (SAFT), namely SAFT2, is coupled with the van der Waals and Platteeuw theory to study the alkane hydrate phase equilibrium conditions. The model is found to provide an accurate…
In non-centrosymmetric superconductors, where the crystal structure lacks a centre of inversion, parity is no longer a good quantum number and an electronic antisymmetric spin-orbit coupling (ASOC) is allowed to exist by symmetry. If this…
We present Monte Carlo simulations of the reversible transverse susceptibility (RTS) for a hexagonal array of dipolar interacting magnetic nanoparticles with random anisotropy. RTS curves with the bias-field in-plane and out-of-plane are…
It is shown that structuring at the microlevel, a previously not described in detail phenomenon, is the intrinsic property of water and aqueous solutions. At room conditions water (including "ultrapure" one) and aqueous solutions are…
In this work we study the existence, stability, and dynamics of select topological point and line defects in anti-ferromagnetic, polar phase, $F=1$ $^{23}$Na spinor condensates. Specifically, we leverage fixed-point and numerical…
We study, both theoretically and experimentally, the transverse modulational instability of spatial stripe solitons in anisotropic nonlocal photorefractive media. We demonstrate that the instability scenarios depend strongly on the stripe…
An approach has been devised and tested for preserving the molecular geometry and taking into account energetic considerations during Reverse Monte Carlo modeling. Instead of the commonly used fixed neighbour constraints, where molecules…
The amorphous aluminium silicate (Al2O3)2(SiO2) [AS2] is investigated by means of large scale molecular dynamics computer simulations. We consider fully equilibrated melts in the temperature range 6100K >= T >= 2300K as well as glass…
Thermodiffusion in aqueous electrolyte solutions exhibits complex dependencies on temperature, concentration, and salt composition, yet its microscopic origins remain incompletely understood. Here, we employ non-equilibrium molecular…
The charge inversion phenomenon is studied by molecular dynamics simulations, focusing on size and valence asymmetric salts, and a threshold of surface charge density for charge inversion. The charge inversion criteria by the…
Metallic ion adsorption on surfactant aggregates were studied with Molecular dynamics simulations. Using ionic salts, such as lead sulfate (PbSO$_4$) and aluminum sulfate [Al$_2$(SO$_4$)$_3$], adsorption of lead and aluminum were…
It is shown that nonsymmetric microobjects orient while settling under gravity in a viscous fluid. To analyze this process, a simple shape is chosen: a non-deformable `chain'. The chain consists of two straight arms, made of touching solid…
Known method of fibrous oxides production (first of all, V2O5) by intensive stirring in water is treated in the frame of driven systems approach developed in 80s by Georges Martin et al for systems under irradiation or severe plastic…
The hydrophobic effect is the dominant force which drives a protein towards its native state, but its physics has not been thoroughly understood yet. We introduce an exactly solvable model of the solvation of non-polar molecules in water,…
We study electrostatic mechanisms of destabilization of highly asymmetric electrolytes. For this purpose, we perform primitive model Monte Carlo simulations of charged macroions immersed in multivalent salt solution. At low salt…
Conventional gas-liquid phase transitions feature a coexistence line that has a monotonic and positive slope in line with our intuition that cooling always leads to condensation. Here we study the inverse phenomenon, condensation of…