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Among all the freezing transitions, that of water into ice is probably the most relevant to biology, physics, geology or atmospheric science. In this work we investigate homogeneous ice nucleation by means of computer simulations. We…

Soft Condensed Matter · Physics 2013-12-04 E. Sanz , C. Vega , J. R. Espinosa , R. Caballero-Bernal , J. L. F. Abascal , C. Valeriani

It is shown by computer simulations that superfluid {\it para}-hydrogen clusters of more than 22 molecules can be turned insulating and "solidlike" by the replacement of as few as one or two molecules, with ones of the heavier {\it…

Statistical Mechanics · Physics 2009-11-13 Fabio Mezzacapo , Massimo Boninsegni

We study by computer simulations the effect of confinement on the superfluid properties of small two-dimensional (2D) parahydrogen clusters. For clusters of fewer than twenty molecules, the superfluid response in the low temperature limit…

Mesoscale and Nanoscale Physics · Physics 2015-04-02 Saheed Idowu , Massimo Boninsegni

Thermal stability properties and the melting-like transition of Na_n, n=13-147, clusters are studied through microcanonical molecular dynamics simulations. The metallic bonding in the sodium clusters is mimicked by a many-body Gupta…

Atomic and Molecular Clusters · Physics 2007-05-23 Juan A. Reyes-Nava , Ignacio L. Garzon , Marcela R. Beltran , Karo Michaelian

The excitation energies of parahydrogen clusters have been systematically calculated by the diffusion Monte Carlo technique in steps of one molecule from 3 to 40 molecules. These clusters possess a very rich spectra, with angular momentum…

Atomic and Molecular Clusters · Physics 2009-11-13 R. Guardiola , J. Navarro

We examine binary mixtures of superparamagnetic colloidal particles confined to a two-dimensional water-air interface both by real-space experiments and Monte-Carlo computer simulations at high coupling strength. In the simulations, the…

Soft Condensed Matter · Physics 2015-05-13 L Assoud , F Ebert , P Keim , R Messina , G Maret , H Löwen

Recent first-principle calculations unveiled a distinctive dynamic behavior in water molecule rotation during the melting process of highly confined water, indicating a notable time-scale separation in diffusion. In this short paper, we…

Chemical Physics · Physics 2024-03-27 Yuheng Zhao , Yi Qin Gao

A two-dimensional crystal melts via the proliferation and unbinding of topological defects, yet quantitatively predicting the melting temperature $T_m$ in real systems is challenging. Here we resolve this discrepancy in quantum Hall…

Mesoscale and Nanoscale Physics · Physics 2026-03-09 H. Xia , Qianhui Xu , Jiasen Niu , Jian Sun , Yang Liu , L. N. Pfeiffer , K. W. West , Pengjie Wang , Bo Yang , Xi Lin

We simulate the melting of a 71 A diameter cluster of Cu. At low temperatures the crystal exhibits facets. With increasing temperatures the open facets pre-melt, the melted regions coalesce into a liquid envelope containing a crystalline…

Condensed Matter · Physics 2015-06-25 Ole H. Nielsen , James P. Sethna , Per Stoltze , Karsten W. Jacobsen , Jens K. Norskov

We study the evolution of percolation with freezing. Specifically, we consider cluster formation via two competing processes: irreversible aggregation and freezing. We find that when the freezing rate exceeds a certain threshold, the…

Statistical Mechanics · Physics 2007-05-23 E. Ben-Naim , P. L. Krapivsky

Monodisperse ensembles of particles that have cluster crystalline phases at low temperatures can model a number of physical systems, such as vortices in type-1.5 superconductors, colloidal suspensions and cold atoms. In this work we study a…

Soft Condensed Matter · Physics 2019-04-29 Wenlong Wang , Rogelio Díaz-Méndez , Mats Wallin , Jack Lidmar , Egor Babaev

We investigate the behaviour of dipolar bosons in two dimensions. We describe the large density crystalline limit analytically while we use quantum Monte-Carlo to study the melting toward the Bose-Einstein condensate. We find strong…

Statistical Mechanics · Physics 2008-02-07 Christophe Mora , Olivier Parcollet , Xavier Waintal

At 300-3000K and 1-500MPa, variations of relative contents for small water clusters (H2O)n (n=1~6) were calculated by using statistical mechanical methods. First, 9 kinds of small water clusters were selected and their structures were…

Chemical Physics · Physics 2016-04-26 Yong-U Ri , Chang-Sob Kwak , Kye-Ryong Sin

We present results obtained from a set of cosmological hydrodynamic simulations of galaxy clusters, aimed at comparing predictions with observational data on the diversity between cool-core (CC) and non-cool-core (NCC) clusters. Our…

Cosmology and Nongalactic Astrophysics · Physics 2015-11-04 E. Rasia , S. Borgani , G. Murante , S. Planelles , A. M. Beck , V. Biffi , C. Ragone-Figueroa , G. L. Granato , L. K. Steinborn , K. Dolag

Molecular cooling is essential for studying the formation of sub-structure of dissipative dark-matter halos that may host compact objects such as black holes. Here, we analyze the reaction rates relevant for the formation, dissociation, and…

Cosmology and Nongalactic Astrophysics · Physics 2022-08-09 Michael Ryan , James Gurian , Sarah Shandera , Donghui Jeong

The dynamics and thermodynamics of melting in two-dimensional Coulomb clusters is revisited using molecular dynamics and Monte Carlo simulations. Several parameters are considered, including the Lindemann index, the largest Lyapunov…

Atomic and Molecular Clusters · Physics 2007-05-23 E. Yurtsever , F. Calvo , D. J. Wales

Extensive Path Integral Monte Carlo simulations of condensed para-Hydrogen in two dimensions at low temperature have been carried out. In the zero temperature limit, the system is a crystal at equilibrium, with a triangular lattice…

Statistical Mechanics · Physics 2009-11-10 Massimo Boninsegni

We present a microscopic analysis of the quantum solvation structures of para-H$_2$ around the OCS molecule when embedded in low temperature $^4$He droplets. The structures of clusters containing M=5 and 6 para-H$_2$ molecules are compared…

Condensed Matter · Physics 2009-11-10 Yongkyung Kwon , K. Birgitta Whaley

A recent claim of possible superfluid behaviour of parahydrogen films intercalated within a crystalline matrix of Na atoms is examined. Quantum Monte Carlo simulations at finite temperature yield strong numerical evidence that the system…

Other Condensed Matter · Physics 2016-02-10 Massimo Boninsegni

We report a quantitative experimental study of the crystallization kinetics of supercooled quantum liquid mixtures of para-hydrogen (pH$_2$) and ortho-deuterium (oD$_2$) by high spatial resolution Raman spectroscopy of liquid microjets. We…