Related papers: Melting Point and Lattice Parameter Shifts in Supp…
The van der Waals interaction is implemented in a Hadron Resonance Gas model. It is shown that this model can describe Lattice QCD data of different thermodynamical quantities satisfactorily with the van der Waals parameters $a = 1250 \pm…
Nanostructures can be bound together at equilibrium by the van der Waals (vdW) effect, a small but ubiquitous many-body attraction that presents challenges to density functional theory. How does the binding energy depend upon the size or…
The kinetics and thermodynamics of structural transformations under pressure depend strongly on particle size due to the influence of surface free energy. By suitable design of surface structure, composition, and passivation it is possible,…
We study high-field electrical breakdown and heat dissipation from carbon nanotube (CNT) devices on SiO2 substrates. The thermal "footprint" of a CNT caused by van der Waals interactions with the substrate is revealed through molecular…
Various soft materials share some common features, such as significant entropic effect, large fluctuations, sensitivity to thermodynamic conditions, and mesoscopic characteristic spatial and temporal scales. However, no quantitative…
Nanomechanical responses (force-time profiles) of crystal lattices under deformation exhibit random critical jumps, reflecting the underlying structural transition processes. Despite extensive data collection, interpreting dynamic critical…
We use molecular dynamics simulations to study the melting of gold icosahedral clusters of a few thousand atoms. We pay particular attention to the behavior of surface atoms, and to the equilibrium shape of the cluster. We find that…
We study in this article properties of a nanodot embedded in a support by Monte Carlo simulation. The nanodot is a piece of simple cubic lattice where each site is occupied by a mobile Heisenberg spin which can move from one lattice site to…
We show that strong Luttinger correlations of the electron liquid in armchair carbon nanotubes lead to a significant enhancement of the onset temperature of the putative twist Peierls instability. The instability results in a spontaneous…
We use in situ transmission electron microscopy with automated tracking to study supported gold nanoparticles (NPs) during high-temperature vacuum annealing. \rev{The average mass loss per NP is governed by a flat, nearly size-independent…
We derive expressions for the jumps in entropy and magnetization characterizing the first-order melting transition of a flux line lattice. In our analysis we account for the temperature dependence of the Landau parameters and make use of…
Encapsulation protects functional layers, ensuring structural stability and improving the quality of assembled van der Waals heterostructures. Here, we develop a model that describes lattice relaxation in twisted bilayers accounting for…
Two dimensional (2D) classical system of dipole particles confined by a quadratic potential is studied. For clusters of N < 81 particles ground state configurations and appropriate eigenfrequencies and eigenvectors for the normal modes are…
Classical nucleation theory predicts size-dependent nucleation and melting due to surface and confinement effects at the nanoscale. In correlated electronic states, observation of size-dependent nucleation and melting is rarely reported,…
We present our current results from ongoing lattice investigations of the Berenstein--Maldacena--Nastase deformation of maximally supersymmetric Yang--Mills quantum mechanics. We focus on the thermal phase structure of this theory, which…
We study the interplay between an isostructural critical point and dislocation mediated two-dimensional melting, using a combination of Landau and continuum elasticity theory. If dislocations are excluded, coupling to the elastic degrees of…
The high-pressure dynamics of a computer-modeled silica melt is studied in the framework of the mode-coupling theory of the glass transition (MCT) using static-structure input from molecular-dynamics (MD) computer simulation. The theory…
We study metastability and nucleation for the Blume-Capel model: a ferromagnetic nearest neighbour two-dimensional lattice system with spin variables taking values in -1,0,+1. We consider large but finite volume, small fixed magnetic field…
We consider the vortex matter in a three-dimensional two-component superconductor with individually conserved condensates with different bare phase stiffnesses in a finite magnetic field, such as the projected superconducting state of…
Using the correlative method of unsymmetrized self-consistent field for strongly anharmonic crystals, the thermodynamic stability and the mechanism its loss is studied for crystals with various types of the chemical bond. The following…