Melting and freezing of metal clusters

A Aguado, MF Jarrold - Annual Review of Physical Chemistry, 2011 - annualreviews.org
Recent developments allow heat capacities to be measured for size-selected clusters
isolated in the gas phase. For clusters with tens to hundreds of atoms, the heat capacities …

The origin of irreversibility and thermalization in thermodynamic processes

E Roduner, TPJ Krüger - Physics Reports, 2022 - Elsevier
Understanding the origin of irreversibility in thermodynamics has been a fundamental
scientific challenge and puzzle for nearly a century. Initially, the discussions related to …

Size‐dependence of the melting temperature of individual Au nanoparticles

P Schlexer, AB Andersen, B Sebok… - Particle & Particle …, 2019 - Wiley Online Library
Nanoparticles have an immense importance in various fields, such as medicine, catalysis,
and various technological applications. Nanoparticles exhibit a significant depression in …

Collisionless relaxation in gravitational systems: From violent relaxation to gravothermal collapse

Y Levin, R Pakter, FB Rizzato - Physical Review E—Statistical, Nonlinear, and …, 2008 - APS
Theory and simulations are used to study collisionless relaxation of a gravitational N-body
system. It is shown that when the initial one-particle distribution function satisfies the virial …

Decondensation in nonequilibrium photonic condensates: when less is more

HJ Hesten, RA Nyman, F Mintert - Physical Review Letters, 2018 - APS
We investigate the steady state of a system of photons in a pumped dye-filled microcavity. By
varying pump and thermalization the system can be tuned between Bose-Einstein …

A revisit of the vapor–liquid interface of the Lennard-Jones fluid

H Liu - Chemical Physics, 2023 - Elsevier
In this work a mean-field crossover generated by the Maxwell construction is defined as the
dividing interface for the vapor–liquid interface area. An accurate and physically preferable …

What Is Heat? Can Heat Capacities Be Negative?

E Roduner - Entropy, 2023 - mdpi.com
In the absence of work, the exchange of heat of a sample of matter corresponds to the
change of its internal energy, given by the kinetic energy of random translational motion of …

Negative heat capacity of small systems in the microcanonical ensemble

MA Carignano, I Gladich - Europhysics Letters, 2010 - iopscience.iop.org
We propose a new mechanism to explain the origin of negative heat capacity in small
systems. We show how a particular structure of the potential energy surface combined with a …

Overestimation of melting temperatures calculated by first-principles molecular dynamics simulations

K Shirai, H Momida, K Sato… - Journal of Physics …, 2024 - iopscience.iop.org
Calculating the melting temperature, T_m, by molecular dynamics (MD) simulations is a
controversial issue. Even first-principles molecular dynamics (FP-MD) simulations often give …

The temperature dependence of nanocrystal heat capacity

MN Magomedov - Journal of Surface Investigation. X-ray, Synchrotron …, 2012 - Springer
The temperature dependence of the specific (per atom) entropy and heat capacity of a
nanocrystal is studied using a nanocrystal model in the form of a rectangular parallelepiped …