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We use computer simulations to study the microscopic dynamics of an athermal assembly of soft particles near the fluid-to-solid, jamming transition. Borrowing tools developed to study dynamic heterogeneity near glass transitions, we…

Materials Science · Physics 2010-06-24 Claus Heussinger , Ludovic Berthier , Jean-Louis Barrat

We study how the binding energy, the vibrational frequencies and the adsorption isotherm of CO on Pd(100) are modified when the solid is subject to uniform strain. The parameters controlling the thermodynamics of adsorption (the adsorption…

Condensed Matter · Physics 2009-10-31 M. W. Wu , H. Metiu

A numerical method is developed to calculate the transition temperature of double or multi-layers consisting of films of super- and normal conductors. The approach is based on a dynamic interpretation of Gorkov's linear gap equation and is…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Gerd Bergmann

When masless excitations are limited or modified by the presence of material bodies one observes a force atcing between them generally called Casimir force. Such excitations are present in any fluid system close to its true bulk critical…

Statistical Mechanics · Physics 2016-04-27 Daniel M. Dantchev , Vassil M. Vassilev , Peter A. Djondjorov

Molecular dynamics study of a thin (one to five layers) lubricant film between two substrates in moving contact are performed using Langevin equations with an external damping coefficient depending on distance and velocity of atoms relative…

Materials Science · Physics 2009-10-31 O. M. Braun , M. Peyrard

We study phase separation in thin films using the Navier--Stokes Cahn--Hilliard equations in the lubrication approximation, modeling substrate-film interactions with a van der Waals potential. We investigate the thin-film equations…

Fluid Dynamics · Physics 2007-12-12 Lennon O Naraigh , Jean-Luc Thiffeault

Evaporation of a liquid layer on a substrate is examined without the often-used isothermality assumption -- i.e., temperature variations are accounted for. Qualitative estimates show that nonisothermality makes the evaporation rate depend…

Soft Condensed Matter · Physics 2023-05-02 E. S. Benilov

We simulate the compression of a two-component Lennard-Jones liquid at a variety of constant temperatures using a molecular dynamics algorithm in an isobaric-isothermal ensemble. The viscosity of the liquid increases with pressure,…

chem-ph · Physics 2009-10-22 Shelly L. Shumway , Andrew S. Clarke , Hannes Jónsson

Here we present a structural study of pentacene (Pn) thin films on vicinal Ag(111) surfaces by He atom diffraction measurements and density functional theory (DFT) calculations supplemented with van der Waals (vdW) interactions. Our He atom…

Strongly Correlated Electrons · Physics 2012-11-19 E. Mete , I. Demiroglu , E. Albayrak , G. Bracco , S. Ellialtioglu , M. F. Danisman

Molecular dynamics simulations are performed to examine the dynamic response of amorphous solids to oscillatory shear at finite temperatures. The data were collected from a poorly annealed binary glass, which was deformed periodically in…

Soft Condensed Matter · Physics 2017-11-21 Nikolai V. Priezjev

We introduce an accurate and efficient method for characterizing surface wetting and interfacial properties, such as the contact angle made by a liquid droplet on a solid surface, and the vapor-liquid surface tension of a fluid. The method…

Soft Condensed Matter · Physics 2018-11-14 Hao Jiang , Suruchi Fialoke , Zachariah Vicars , Amish J. Patel

The wetting properties of solid substrates with customary (i.e., macroscopic) random roughness are considered as a function of the microscopic contact angle of the wetting liquid and its partial pressure in the surrounding gas phase.…

Soft Condensed Matter · Physics 2015-03-19 S. Herminghaus

Directional solidification of water-based solutions has emerged as a versatile technique for templating hierarchical porous materials. However, the underlying mechanisms of pattern formation remain incompletely understood. In this work, we…

Materials Science · Physics 2026-03-20 Kaihua Ji , Alain Karma

We use the grand canonical Monte Carlo method to study the nature of wetting transitions on a variety of heterogeneous surfaces. The model system we explore, Ne adsorption on Mg, is one for which a prewetting transition has been found in…

Statistical Mechanics · Physics 2009-10-31 S. Curtarolo , M. W. Cole , M. J. Bojan , W. A. Steele

We study the conduction of heat across a narrow solid strip trapped by an external potential and in contact with its own liquid. Structural changes, consisting of addition and deletion of crystal layers in the trapped solid, are produced by…

Soft Condensed Matter · Physics 2015-06-25 Debasish Chaudhuri , Abhishek Chaudhuri , Surajit Sengupta

We use large-scale molecular dynamics simulations to study the kinetics of the liquid-gas phase separation if the temperature is lowered across the glass transition of the dense phase. We observe a gradual change from phase separated…

Statistical Mechanics · Physics 2011-06-01 Vincent Testard , Ludovic Berthier , Walter Kob

The paper presents a theoretical study using the Karman-Pohlhausen method for describing the transient heat exchange between the boundary-layer free convection and a vertical flat plate embedded in a porous medium. The unsteady behavior is…

Fluid Dynamics · Physics 2015-09-15 Jian-Jun Shu , I. Pop

The yielding transition in athermal complex fluids can be interpreted as an absorbing phase transition between an elastic, absorbing state with high mesoscopic degeneracy and a flowing, active state. We characterize quantitatively this…

Statistical Mechanics · Physics 2024-09-13 Tristan Jocteur , Shana Figueiredo , Kirsten Martens , Eric Bertin , Romain Mari

We study phase ordering dynamics in the three-dimensional nearest-neighbor Ising model, following rapid quenches from infinite to zero temperature. Results on various aspects, viz., domain growth, persistence, aging and pattern, have been…

Statistical Mechanics · Physics 2017-04-26 Subir K. Das , Saikat Chakraborty

Available simulation methods, suitable to describe solid-solid phase transitions occurring upon increasing of presssure and/or temperature, are based on empirical interatomic potentials: this restriction reduces the predictive power, and…

Condensed Matter · Physics 2016-08-31 P. Focher , G. L. Chiarotti , M. Bernasconi , E. Tosatti , M. Parrinello