Related papers: Analytic Theory of Finite-size Effects in Supercel…
Electrode-electrolyte interfaces are crucial for electrochemical energy conversion and storage. At these interfaces, the liquid electrolytes form electrical double layers (EDLs). However, despite more than a century of active research, the…
We analyze thermodynamic models for fluid systems in equilibrium based on a virial expansion of the internal energy in terms of the volume density. We prove that the models, formulated for finite-size systems with $N$ particles, are exactly…
Cellular elastomeric metamaterials are interesting for various applications, e.g. soft robotics, as they may exhibit multiple microstructural pattern transformations, each with its characteristic mechanical behavior. Numerical literature…
Interface states at a boundary between regions with different spin-orbit interactions (SOIs) in two-dimensional (2D) electron systems are investigated within the one-band effective mass method with generalized boundary conditions for…
We consider paramagnetic, spin-glass and ferromagnetic phases. At $T=0$ model gives for the some values of connectivity (near the critical) extremal suppression of finite size effects (decoding error probability).
The total elastic stiffness of two contacting bodies with a microscopically rough interface has an interfacial contribution K that is entirely attributable to surface roughness. A quantitative understanding of K is important because it can…
The errors arising in ab initio density functional theory studies of semiconductor point defects using the supercell approximation are analyzed. It is demonstrated that a) the leading finite size errors are inverse linear and inverse cubic…
The effects of the finite size of the simulation box in equilibrium molecular dynamics simulations are investigated for prototypical superionic conductors of different types, namely the fluorite-structure materials PbF2, CaF2, and UO2…
Periodic boundary conditions have not a unique implementation in magnetic systems where all spins interact with each other through a power law decaying interaction of the form $1/r^\alpha$, $r$ being the distance between spins. In this work…
We test the concepts of renormalized charge and potential saturation, introduced within the framework of highly asymmetric Coulomb mixtures, on exactly solvable Coulomb models. The object of study is the average electrostatic potential…
The electron-phonon interaction corresponding to the Holstein model (with Coulomb repulsion) is simulated in infinite dimensions using a novel quantum Monte Carlo algorithm. The thermodynamic phase diagram includes commensurate…
We present the finite-size scaling theory of one-dimensional quantum critical systems in the presence of boundaries. While the finite-size spectrum in the conformal limit, namely of a conformal field theory with conformally invariant…
We study the finite-size effects for the thermal QCD Deconfinement Phase Transition (DPT), and use a numerical finite size scaling analysis to extract the scaling exponents characterizing its scaling behavior when approaching the…
Electronic stopping power models describing fuel heating processes in inertial fusion energy concepts typically assume linear-response behavior through quadratic scaling with the projectile charge. We report the results of real-time…
We extend the post-processing finite-size (FS) correction method, developed by Kwee, Zhang, and Krakauer [Phys. Rev. Lett. 100, 126404 (2008)], to spin polarized systems. The method estimates the FS effects in many-body electronic structure…
We study the effect of dielectric inhomogeneities on the interaction between two planparallel charged surfaces with oppositely charged mobile charges in between. The dielectric constant between the surfaces is assumed to be different from…
We study zero-range processes which are known to exhibit a condensation transition, where above a critical density a non-zero fraction of all particles accumulates on a single lattice site. This phenomenon has been a subject of recent…
The finite-size critical properties of the ${\cal O}(n)$ vector $\phi^4$ model, with long-range interaction decaying algebraically with the interparticle distance $r$ like $r^{-d-\sigma}$, are investigated. The system is confined to a…
We study single-channel continuum models of one-dimensional insulators induced by periodic potential modulations which are either terminated by a hard wall (the boundary model) or feature a single region of dislocations and/or impurity…
In core/shell quantum dots (QDs), the interface between semiconductors of different chemical character largely determines their optoelectronic properties. In III-V/II-VI systems, this boundary involves pronounced chemical and electronic…