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We expand on a recent study of a lattice model of interacting particles [Phys. Rev. Lett. 111, 110601 (2013)]. The adsorption isotherm and equilibrium fluctuations in particle number are discussed as a function of the interaction. Their…
The diffusive motion of metal nanoparticles Au and Ag on monolayer and between bilayer heterostructures of transition metal dichalcogenides and graphene are investigated in the framework of density functional theory. We found that the…
Recently, it has been realized that liquids are able to support solid-like transverse modes with an interesting gap in momentum space developing in the dispersion relation. We show that this gap is also present in simple holographic…
White dwarfs with metal-polluted atmospheres have been studied widely in the context of the accretion of rocky debris from evolved planetary systems. One open question is the geometry of accretion and how material arrives and mixes in the…
We have studied the trends in CO adsorption on close-packed metal surfaces: Co, Ni, Cu from the 3d row, Ru, Rh, Pd, Ag from the 4d row and Ir, Pt, Au from the 5d row using density functional theory. In particular, we were concerned with the…
Intercalation of magnetic atoms into van der Waals materials provides a versatile platform for tailoring unconventional magnetic properties. However, its impact on electronic dimensionality and exchange mechanisms remains poorly understood.…
Halogenated aromatic molecules assemble on surfaces forming both hydrogen and halogen bonds. Even though these systems have been intensively studied on flat metal surfaces, high-index vicinal surfaces remain challenging, as they may induce…
Understanding heat transfer across solid-liquid interfaces is central to thermal management and energy technologies, yet whether the interfacial thermal conductance (ITC) depends on the timescale of heating remains unclear. Here we use…
A calculation of the inelastic scattering rate of Xe atoms on Cu(111) is presented. We focus in the regimes of low and intermediate velocities, where the energy loss is mainly associated to the excitation electron-hole pairs in the…
Model analogies and exchange of ideas between physics or chemistry with biology or epidemiology have often involved inter-sectoral mapping of techniques. Material mechanics has benefitted hugely from such interpolations from mathematical…
Established theoretical studies of diffusion in rugged (or rough) potential surfaces have largely focused on quenched energy landscapes. Here we study diffusion on a rugged energy landscape in the presence of dynamic disorder, a situation…
Until recently, it was textbook knowledge that the diffusion coefficients could not be estimated in a multi-component system following the widely practised diffusion couple method. The recently proposed constrained diffusion couple methods…
Based on a coarse-grained model, we carry out molecular dynamics simulations to analyze the diffusion of a small tracer particle inside a cylindrical channel whose inner wall is covered with randomly grafted short polymeric chains. We…
High-Tc superconductivity in layered cuprates is described in a BCS-BEC formalism with linearly-dispersive s- and d-wave Cooper pairs moving in quasi-2D finite-width layers about the CuO_2 planes. This yields a closed formula for Tc…
In anisotropic or layered superconductors thermal fluctuations as well as impurities induce a van der Waals (vdW) attraction between flux lines, as has recently been shown by Blatter and Geshkenbein in the thermal case [Phys. Rev. Lett. 77,…
This paper provides indoor reflection, scattering, transmission, and large-scale path loss measurements and models, which describe the main propagation mechanisms at millimeter wave and Terahertz frequencies. Channel properties for common…
We exploit the holographic realization of a conformal theory coupled to an external bath realized via a double trace deformation and its gravity dual in terms of transparent boundary conditions in order to map out some basic dissipative…
We study low-dimensional quantum systems with analytical and computational methods. Firstly, the one-dimensional extended $t$-$V$ model of fermions with interactions of a finite range is investigated. The model exhibits a phase transition…
Light transport in strongly scattering porous photocatalytic materials governs the spatial distribution of absorbed photons and therefore the generation of charge carriers driving photocatalytic reactions. Yet translating measured optical…
The interdiffusion coefficients are estimated either following the Wagner's method expressed with respect to the composition (mol or atomic fraction) normalized variable after considering the molar volume variation or the den Broeder's…