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Antirelaxation surface coatings allow long spin relaxation times in alkali-metal cells without buffer gas, enabling faster diffusion of the alkali atoms throughout the cell and giving larger signals due to narrower optical linewidths.…
Aluminum is the most earth-abundant metal, is trivalent, is inert in ambient humid air, and has a density approximately four-times that of lithium at room temperature. These attributes make it an attractive material for cost-effective,…
We show that the off-diagonal exchange anisotropy drives Mott insulators with strong spin-orbit coupling to a classical spin liquid regime, characterized by an infinite number of ground states and Ising variables living on closed or open…
Mutual interactions in many-body systems bring about a variety of exotic phases, among which liquid-like states failing to order due to frustration are of keen interest. Recently, an organic system with an anisotropic triangular lattice of…
Urea denatures proteins due to its strong tendency to dehydrate the first solvation shell via urea-residue preferential binding. However, even after extensive experimental and computational investigations, the influence of urea on the…
Conventional lithium-ion batteries, and many next-generation technologies, rely on organic electrolytes with multiple solvents to achieve the desired physicochemical and interfacial properties. The complex interplay between these properties…
Model chains are studied via Monte Carlo simulations which are deposited with a fixed flux on a substrate. They may represent, e.g., stiff lipophilic chains with an head group and tail groups mimicking the alkyl chain. After some subsequent…
The structure and transport properties of SiO2-Al2O3 melts containing 13 mol% and 47 mol% Al2O3 are investigated by means of large scale molecular dynamics computer simulations. The interactions between the atoms are modelled by a pair…
Explicit molecular dynamics simulations were applied to a pair of amorphous silica nanoparticles in aqueous solution, of diameter 4.4 nm with four different background electrolyte concentrations, to extract the mean force acting between the…
Active hydrodynamic theories are a powerful tool to study the emergent ordered phases of internally driven particles such as bird flocks, bacterial suspension and their artificial analogues. While theories of orientationally ordered phases…
Using molecular dynamics simulations, the structure of model mini-protein was thoroughly characterized in the imidazolium-based amino acid ionic liquids and their aqueous solutions. We report that the mini-protein is more stable when AAIL…
The physicochemical characterization of trivalent ions is limited due to a lack of accurate force fields. By leveraging the latest machine learning force field to model aqueous $\text{AlCl}_{3}$, we discover that upon dissolution of…
We report molecular-dynamics simulation results performed for a model of molecular liquid orthoterphenyl in supercooled states, which we then compare with both experimental data and mode-coupling-theory (MCT) predictions, aiming at a better…
Six-line ferrihydrite(FH) nanoparticles have been synthesized in the core of reverse micelles, used as nanoreactors to obtain average particle sizes $<d>$ $\approx$ 2 to 4 nm. The blocking temperatures $T_B^m$ extracted from magnetization…
The Self-Organized Hydrodynamics model of collective behavior is studied on an annular domain. A modal analysis of the linearized model around a perfectly polarized steady-state is conducted. It shows that the model has only pure imaginary…
Investigating microstructure of suspensions with particles having anisotropic shape that share complex interactions is a challenging task leading to competing claims. This work investigates phase behavior of one such system: aqueous…
We construct families of one-dimensional (1D) stable solitons in two-component $\mathcal{PT}$-symmetric systems with spin-orbit coupling (SOC) and quintic nonlinearity, which plays the critical role in 1D setups. The system models light…
This paper presents a broad theoretical and simulation study of the high temperature behavior of crystalline alkali halide surfaces typified by NaCl(100), of the liquid NaCl surface near freezing, and of the very unusual partial wetting of…
We have investigated thermodynamic and dynamic properties as well as the dielectric constant of water-metha\-nol model mixtures in the entire range of composition by using constant pressure molecular dynamics simulations at ambient…
Binary mixture of oppositely charged of colloids can be used to stabilize water-in-oil or oil-in-water emulsions. A Monte Carlo simulation study to address the effect of charge ratio of colloids on the stability of Pickering emulsions is…