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Surface charges play a fundamental role in physics and chemistry, particularly in shaping the catalytic properties of nanomaterials. Tracking nanoscale surface charge dynamics remains challenging due to the involved length and time scales.…
The miscibility of two interacting quantum systems is an important testing ground for the understanding of complex quantum systems. Two-component Bose-Einstein condensates enable the investigation of this scenario in a particularly well…
The key parameter controlling the glass transition of colloidal suspensions is $\varphi$, the fraction of the sample volume occupied by the particles. Unfortunately, changing $\varphi$ by varying an external parameter, \textit{e.g.}…
The dispersive spreading of microscopic particles in shear flows is influenced both by advection and thermal motion. At the nanoscale, interactions between such particles and their confining boundaries become unavoidable. We address the…
As a generic model system of an asymmetric binary fluid mixture, hexadecane dissolved in carbon dioxide is considered, using a coarse-grained bead-spring model for the short polymer, and a simple spherical particle with Lennard-Jones…
The phase transition layered Li$_{0.5}$NiO$_2$ to spinel Li(NiO$_2$)$_2$ is a potential degradation pathway in LiNiO$_2$-based lithium-ion battery cathodes. We investigated the mechanism of this phase transformation from first principles.…
The thermodynamics of a first order chiral phase transition is considered in the presence of spinodal phase separation within the Nambu-Jona-Lasinio (NJL) model. The properties of the basic thermodynamic observables in the coexistence phase…
The paper concerns the nanopowder high-speed, $10^4$ - $10^9$ s${}^{-1}$, compaction processes modeling by a two-dimensional granular dynamics method. Nanoparticles interaction, in addition to known contact laws, included dispersive…
(Li,Al)-co-doped magnesium spinel (Li$_x$Mg$_{1-2x}$Al$_{2+x}$O$_4$) is a solid lithium-ion electrolyte with potential use in all-solid-state lithium-ion batteries. Interfaces with spinel electrodes, such as Li$_y$Mn$_2$O$_4$ and…
We analyze the low-energy properties of superconductors near the onset of accidental nodes, i.e. zeroes of the gap function not enforced by symmetry. The existence of such nodes has been motivated by recent experiments suggesting a…
Self-assembly via nanoscale phase-separation offers an elegant route to fabricate nanocomposites with physical properties unattainable in single-component systems. One important class of nanocomposites are optical metamaterials which…
Nickel-based layered oxides offer an attractive platform for the development of energy-dense cobalt-free cathodes for lithium-ion batteries but suffer from degradation via oxygen gas release during electrochemical cycling. While such…
Recent experiments have shown that spatial dispersion may have a conspicuous impact on the response of plasmonic structures. This suggests that in some cases the Drude model should be replaced by more advanced descriptions that take spatial…
Understanding the behavior of nanobubbles (NBs) in various aqueous solutions is a challenging task. The present work investigates the effects of various surfactants (i.e., anionic, cationic, and nonionic) and pH medium on bulk NBs…
The increase of sliding friction upon increasing load is a classic in the macroscopic world. Here we discuss the possibility that friction rise might sometimes turn into a drop when, at the mesoscale and nanoscale, a confined lubricant film…
We propose a simple model to describe the cavitation-induced breakage of mesoscale filaments during their sonication in solution. The model predicts a limiting length below which scission no longer occurs. This characteristic length is a…
The use of electrophoretic forces to tune friction at material-nanoparticle-liquid interfaces with static or low frequency (0.6-50 mHz) electric fields is reported for the first time. External electric fields were employed to reposition…
Microgels are soft colloidal particles that, when dispersed in a solvent, swell and deswell in response to changes in environmental conditions, such as temperature, concentration, and $p$H. Using Monte Carlo simulation, we model bulk…
Silicon (Si) anodes attract a lot of research attention for their potential to enable high energy density lithium-ion batteries (LIBs). Many studies focus on nanostructured Si anodes to counteract deterioration. In this work, we model LIBs…
Binary mixtures are known to phase separate via both nucleation and spinodal decomposition, depending on the initial composition and extent of the quench. Here we develop an energy landscape view of phase separation and non-ideality in…