Related papers: Nanothermomechanics
Contrary to previous studies of boson peak, we analyze the density of states and specific heat contribution of dispersion forces in an amorphous solid of nano-scales ($\sim 3 nm$). Our analysis indicates a universal semi-circle form of the…
An atomistic effective Hamiltonian technique is used to investigate the finite-temperature energy storage properties of a ferroelectric nanocomposite consisting of an array of BaTiO$_{3}$ nanowires embedded in a SrTiO$_{3}$ matrix, for…
We have used soft x-ray photoemission electron microscopy to image the magnetization of single domain La$_{0.7}$Sr$_{0.3}$MnO$_{3}$ nano-islands arranged in geometrically frustrated configurations such as square ice and kagome ice…
We investigated the complete thermodynamic cycle of aluminium nanoparticles through classical molecular dynamics simulations, spanning a wide size range from 200 atoms to 11000 atoms. The aluminium-aluminium interactions are modelled using…
In this work, we present a new model for the interpretation of the local dynamic behavior and the mechanical reinforcement mechanism in polymer nanocomposites. The temperature dependence of the dynamics in the glassy region is described by…
Antiferromagnets hosting real-space topological spin textures are promising platforms to model fundamental ultrafast phenomena and explore spintronics. However, to date, they have only been fabricated epitaxially on specific…
The thermodynamic equilibrium conditions for compact structures composed by mass varying particles are discussed assuming that the so-called dynamical mass behaves like an additional extensive thermodynamic degree of freedom. It then…
In this work, a theoretical study of phase equilibrium in mixtures of a calamitic nematic liquid crystal and hard spherical nanoparticles is presented. A mean-field thermodynamic model is used, where the interactions are considered to be…
High-throughput ab-initio calculations, cluster expansion techniques and thermodynamic modeling have been synergistically combined to characterize the binodal and the spinodal decompositions features in the pseudo-binary lead chalcogenides…
We consider thermodynamic properties, e.g. specific heat, magnetic susceptibility, of alternating Heisenberg spin chains. Due to a hidden Ising symmetry these chains can be decomposed into a set of finite chain fragments. The problem of…
Self-assembly kinetics is usually described by approaches which assume that the shape of the aggregates has a definite form (e.g., spherical, cylindrical, cubic, etc), however that is unlikely to be the case in many finite-sized…
The melting of metallic nanoparticles is governed by surface pre-melting, a phenomenon traditionally modeled as the isotropic growth of a uniform liquid shell. Challenging this classical view, we report facet-dependent surface pre-melting…
In order to provide a formally correct thermodynamical description of inhomogeneous fluids valid on all length scales down to the classical limit we postulate that all extensive quantities have locally extensive analogues. We derive local…
In traditional thermodynamics, temperature is a local quantity: a subsystem of a large thermal system is in a thermal state at the same temperature as the original system. For strongly interacting systems, however, the locality of…
The thermodynamic and structural properties of (NH$_4$Cl)$_n$ clusters, n=3-10 are studied. Using the method of simulated annealing, the geometries of several isomers for each cluster size are examined. Jump-walking Monte Carlo simulations…
Composition, atomic structure, and electronic properties of TM$_x$Mg$_y$O$_z$ clusters (TM = Cr, Ni, Fe, Co, $x+y \leq 3$) at realistic temperature $T$ and partial oxygen pressure $p_{\textrm{O}_2}$ conditions are explored using the {\em ab…
We have performed large-scale Lennard-Jones molecular dynamics simulations of homogeneous vapor-to-liquid nucleation, with $10^9$ atoms. This large number allows us to resolve extremely low nucleation rates, and also provides excellent…
Classical density-functional theory is employed to study finite-temperature trends in the relative stabilities of one-component quasicrystals interacting via effective metallic pair potentials derived from pseudopotential theory. Comparing…
In this letter, we address the thermal processes occurring in plasmonic nanoparticles. We determine constrains imposed upon the plasmonic excitation in such nanoparticle by the resulting heat generation. Taking into account temperature…
The relationship between thermodynamics and statistical physics is valid in the thermodynamic limit - when the number of particles becomes very large. Here, we study thermodynamics in the opposite regime - at both the nano scale, and when…