Related papers: Heat release in clusterization of nanoparticles
A systematic and detailed investigation of the finite-temperature behavior of small sodium clusters, Na_n, in the size range of n= 8 to 50 are carried out. The simulations are performed using density-functional molecular-dynamics with…
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…
Nanothermodynamics is the thermodynamics of small systems, which are signifcantly affected by their surrounding environments. In nanothermodynamics, Hill introduced the concept of subdivision potential, which charaterizes the…
The dependencies of the melting point and the lattice parameter of supported metal nanoclusters as functions of clusters height are theoretically investigated in the framework of the uniform approach. The vacancy mechanism describing the…
We report a molecular dynamics simulation of melting of tungsten (W) nanoparticles. The modified embedded atom method (MEAM) interatomic potentials are used to describe the interaction between tungsten atoms. The melting temperature of…
We calculate the dependence of heat capacity of a free standing thin membrane on its thickness and temperature. A remarkable fact is that for a given temperature there exists a minimum in the dependence of the heat capacity on the…
Temperature imaging of nanoscale systems is a fundamental problem which has myriad potential technological applications. For example, nanoscopic cold spots can be used for spot cooling electronic components while hot spots could be used for…
We present a detailed molecular-dynamics study of the melting, freezing, and coalescence of gold nanoclusters within the framework of the embedded-atom method. Concerning melting, we find the process to first affect the surface…
Recently, there has been a growing interest in the usage of mm-scale composites of plasmonic nanoparticles for enhancing the rates of chemical reactions; the effect was shown recently to be predominantly associated with the elevated…
We study the thermodynamics of Na_8 and Na_{20} clusters using multiple-histogram methods and an ab initio treatment of the valence electrons within density functional theory. We consider the influence of various electron kinetic-energy…
We analyse and quantify the amount of heat generated by a nanoparticle, injected in a background medium, while excited by incident electromagnetic waves. These nanoparticles are dispersive with electric permittivity following the Lorentz…
Nanoparticle (NP) are promising agents to absorb external energy excitation and generate heat. Cluster of NPs or NP array heating have found essential roles for biomedical applications, diagnostic techniques and chemical catalysis. Various…
Nanothermodynamics extends standard thermodynamics to facilitate finite-size effects on the scale of nanometers. A key ingredient is Hill's subdivision potential that accommodates the non-extensive energy of independent small systems,…
Plasmon-assisted hot carrier processes in metal nanoparticles can be described either classically or using the full strength of quantum mechanics. We reconfirm that from the practical applications point of view, when it comes to description…
Molecular dynamics simulations are used to model the thermal properties of a fluid containing solid nanoparticles (nanofluid). The flexibility of molecular simulation allows us to consider the effects of particle mass, particle-particle and…
The thermodynamics and kinetics of crystallization of nanoparticles, as opposed to bulk phases, may be influenced by surface and size effects. We investigate the importance of such factors in the crystallization process of gold, silver, and…
The dependency of the melting point of supported metal nanoclusters as function of clusters height is theoretically investigated in the framework of the uniform approach. The vacancy mechanism describing the melting point shift in…
A precision measurement of the photoionization of pure sodium and potassium nanoparticles isolated in a beam enabled an accurate determination of their work functions as a function of temperature. In addition to resolving and quantifying…
Nanocrystal gelation provides a powerful framework to translate nanoscale properties into bulk materials and to engineer emergent properties through the assembled microstructure. However, many established gelation strategies rely on…
Density--functional simulations have been performed on Na$_{55}$, Na$_{92}$ and Na$_{142}$ clusters in order to understand the experimentally observed melting properties [M. Schmidt \textit{et al.}, Nature (London) \textbf{393}, 238…