相关论文: Melting Point Shift in Supported Metal Nanocluster…
We present a study on the melting dynamics of neighbouring ice bodies by means of idealised simulations, focusing on collective effects, with the goal of obtaining fundamental insight into how collective interactions influence the melting…
Finite-temperature structures of Cu, Ag, and Au metal nanoclusters are calculated in the entire temperature range from 0 K to melting using a computational methodology that we proposed recently [Settem \emph{et al.}, Nanoscale, 2022, 14,…
Magnetic nanoflowers are densely packed aggregates of superferromagnetically coupled iron oxide nanocrystallites, which excel during magnetic hyperthermia experiments. Here, we investigate the nature of the moment coupling within a powder…
The water-repellence properties of superhydrophobic surfaces make them promising for many applications. However, in some extreme environments, such as high humidities and low temperatures, condensation on the surface is inevitable, which…
This paper focuses on flow-adapted point-shifts of point processes on topological groups, which map points of a point process to other points of the point process in a translation invariant way. Foliations and connected components generated…
A molecular theory of the glass transition of network forming liquids is developed using a combination of self-consistent phonon and liquid state approaches. Both the dynamical transition and the entropy crisis characteristic of random…
Atomic cluster-based networks represent a promising architecture for the realization of neuromorphic computing systems, which may overcome some of the limitations of the current computing paradigm. The formation and breakage of synapses…
As in the available literature there are still misconceptions about powder diffraction phenomena observed for small nanocrystals ($D<10$ nm), we propose here a systematic and concise review of the involved issues that can be approached by…
We use molecular dynamics with an embedded atom potential to study the behavior of palladium nanoclusters near the melting point in the microcanonical ensemble. We see transitions from both fcc and decahedral ground state structures to…
In a cluster crystal, each lattice site is occupied by multiple soft-core particles. As the number density is increased at zero temperature, a `cascade' of isostructural phase transitions can occur between states whose site occupancy…
We study {\em dynamic} melting of confined vortex matter moving in disordered, mesoscopic channels by mode-locking experiments. The dynamic melting transition, characterized by a collapse of the mode-locking effect, strongly depends on the…
The partition function of the finite $1+\epsilon$ state Potts model is shown to yield a closed form for the distribution of clusters in the immediate vicinity of the percolation transition. Various important properties of the transition are…
Multi-walled hollow nanoparticles made from tungsten disulphide (WS$_2$) show exceptional tribological performance as additives to liquid lubricants due to effective transfer of low shear strength material onto the sliding surfaces. Using a…
It is shown that negative heat capacity in nanoclusters is an artifact of applying equilibrium thermodynamic formalism on a small system trapped out of equilibrium in a particular structural motif representing only part of the energetically…
Supported metal nanoparticle (NP) catalysts are vital for the sustainable production of chemicals, but their design and implementation are limited by the ability to identify and characterize their structures and atomic sites that are…
We address the nature of the Mott transition in the Hubbard model at half-filling using cluster Dynamical Mean Field Theory (DMFT). We compare cluster DMFT results with those of single site DMFT. We show that inclusion of the short range…
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…
This paper investigates the size effect on the coalescence process of contacting nanoparticles. It is revealed by molecular dynamics that the nanometer-sized surface curvature coupled with the effective melting temperature exhibits a strong…
The conversion of $\mathrm{CO_2}$ into useful products such as methanol is a key strategy for abating climate change and our dependence on fossil fuels. Developing new catalysts for this process is costly and time-consuming and can thus…
Sublattice melting is the loss of order of one lattice component in binary or ternary ionic crystals upon increase in temperature. A related transition has been predicted in colloidal crystals. To understand the nature of this transition,…