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Thermal fluctuations of single layer hydrogenated graphene (graphane) are investigated using large scale atomistic simulations. By analyzing the mean square value of the height fluctuations $<h^2>$ and the height-height correlation function…

Materials Science · Physics 2015-06-05 S. Costamagna , M. Neek-Amal , J. H. Los , F. M. Peeters

The decoupling of a cold relic, during a decaying-particle-dominated cosmological evolution is analyzed, the relic density is calculated both numerically and semi-analytically and the results are compared with each other. Using plausible…

High Energy Physics - Phenomenology · Physics 2011-05-23 C. Pallis

Very low-energy features which occur in electron reflectivities from clean fcc metal (111) surfaces have been subject to a number of interpretations. Here we analyse the feature near 19.8 eV on Cu(111) at normal incidence and find that it…

Other Condensed Matter · Physics 2007-05-23 M. N. Read

We present a simple, fast, and reliable method to compute the melting curves of materials with ab initio molecular dynamics. It is based on the two-phase thermodynamic model of [Lin et al., J. Chem. Phys. 119, 11792 (2003)] and its improved…

Materials Science · Physics 2015-06-23 Grégory Robert , Philippe Legrand , Philippe Arnault , Nicolas Desbiens , Jean Clérouin

We compare recent lattice QCD calculations of higher order cumulants of net-strangeness fluctuations with hadron resonance gas (HRG) model calculations. Up to the QCD transition temperature Tc=( 154 +/- 9) MeV we find good agreement between…

High Energy Physics - Lattice · Physics 2013-12-31 Frithjof Karsch

The oxidation of the Ni(111) surface is studied experimentally with low energy electron microscopy and theoretically by calculating the electron reflectivity for realistic models of the NiO/Ni(111) surface with an ab-initio scattering…

Mesoscale and Nanoscale Physics · Physics 2012-03-08 J. Ingo Flege , Axel Meyer , Jens Falta , Eugene E. Krasovskii

A systematic study on the synthesis of the Ru-1212 compound by preparing a series of samples that were annealed at increasing temperatures and then quenched has been performed. It results that the optimal temperature for the annealing lies…

Superconductivity · Physics 2007-05-23 R. Masini , C. Artini , M. R. Cimberle , G. A. Costa , M. Carnasciali , M. Ferretti

We systematic investigate the collapse of a set of open-cell nanoporous Cu (np-Cu) with the same porosity and shapes, but different specific surface area, during thermal annealing, via performing large-scale molecular dynamics simulations.…

Materials Science · Physics 2018-08-01 L. Wang , X. M. Zhang , L. Deng , J. F. Tang , S. F. Xiao , H. Q. Deng , W. Y. Hu

A simple solid-on-solid model, proposed earlier to describe overlayer-induced faceting of bcc(111) surface, is applied to faceting of spherical surfaces covered by adsorbate monolayer. Monte Carlo simulation results show that morphology of…

Soft Condensed Matter · Physics 2009-11-11 Daniel Niewieczerzal , Czeslaw Oleksy

Molecular disordering of the ice surface occurs below the bulk melting temperature of 273 K, termed surface premelting. The top-most molecular layer begins gradually premelting at 200 K, and has been linked to its low coefficient of…

Chemical Physics · Physics 2020-09-02 Nathaniel Orndorf , Saranshu Singla , Ali Dhinojwala

We investigate the thermal behavior of the (111) surface of silver, using phonon frequencies obtained from ab initio total energy calculations, and anharmonic effects treated within a quasiharmonic approximation. Our results reproduce the…

mtrl-th · Physics 2008-02-03 Shobhana Narasimhan , Matthias Scheffler

$^{13}$CO molecules are intercalated under a single layer graphene film on Ru(0001) and interrogated with helium low energy ion scattering. Single scattering is used to determine the mass distribution of atomic species visible to the ion…

Mesoscale and Nanoscale Physics · Physics 2018-11-14 Tianbai Li , Jory A. Yarmoff

Cooling of particles to mK-temperatures is essential for a variety of experiments with trapped charged particles. However, many species of interest lack suitable electronic transitions for direct laser cooling. We study theoretically the…

The properties of the thermal Abelian color-magnetic monopoles in the maximally Abelian gauge are studied in the vicinity of the confinement-deconfinement phase transition in the lattice $SU(3)$ gluodynamics and lattice QCD. We compute the…

High Energy Physics - Lattice · Physics 2013-12-17 V. G. Bornyakov , A. G. Kononenko , V. K. Mitrjushkin

Although real surfaces exhibit intricate topologies at the nanoscale, rough surface consideration is often overlooked in nanoscale heat transfer studies. Superimposed sinusoidal functions effectively model the complexity of these surfaces.…

We consider the prospect of using ultracold hydrogen atoms for sympathetic cooling of fluorine atoms to microkelvin temperatures. We carry out quantum-mechanical calculations on collisions between cold F and H atoms in magnetically…

Atomic Physics · Physics 2013-11-21 Maykel L. González-Martínez , Jeremy M. Hutson

The iron-chromium alloy and its derivatives are widely used for their remarkable resistance to corrosion, which only occurs in a narrow concentration range around 9 to 13 atomic percent chromium. Although known to be due to chromium…

Materials Science · Physics 2013-02-13 Maximilien Levesque

The formation of a novel surface reconstruction upon Co deposition on freshly cleaved Ge(111)2x1 surfaces is studied by means of scanning tunneling microscopy (STM) at low temperature. The deposited Co atoms are immobile at substrate…

Materials Science · Physics 2015-06-03 D. A. Muzychenko , K. Schouteden , V. I. Panov , C. Van Haesendonck

The temperature of the atomic matter in the Universe is held to that of the Cosmic Background radiation until decoupling at z~100. After this it cools faster than the radiation (\propto(1+z)^2 rather than (1+z)) and would have fallen to…

Cosmology and Nongalactic Astrophysics · Physics 2015-05-13 Douglas Scott , Adam Moss

Theoretical cross sections for the pressure broadening by hydrogen of rotational transitions of water are compared to the latest available measurements in the temperature range 65-220 K. A high accuracy interaction potential is employed in…

Chemical Physics · Physics 2015-05-19 Laurent Wiesenfeld , Alexandre Faure
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