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We study the effect of Coulomb correlations on the ultrafast optical dynamics of small metal particles. We demonstrate that a surface-induced dynamical screening of the electron-electron interactions leads to quasiparticle scattering with…

Condensed Matter · Physics 2009-10-31 T. V. Shahbazyan , I. E. Perakis , J. -Y. Bigot

Nanocrystalline metals, i.e. metals with grain sizes from 5 to 50 nm, display technologically interesting properties, such as dramatically increased hardness, increasing with decreasing grain size. Due to the small grain size, direct…

Materials Science · Physics 2009-10-31 J. Schiøtz , T. Vegge , K. W. Jacobsen

This article is a continuation of our previous studies of the frictional anisotropy of metal nanoparticles on the surface of a graphene substrate for other temperature conditions. The friction force acting on palladium nanoparticles on a…

Mesoscale and Nanoscale Physics · Physics 2021-03-30 A. V. Khomenko , M. V. Zakharov

Further development of nuclear power plant technology relies heavily on materials durability under operating conditions. Estimating the materials performance in the operando tests is crucial. In this paper, the mechanical behavior of thin…

Graphite, as a well-known carbon-based solid, is a paradigmatic example of the so-called van der Waals layered materials, which display a large anisotropy in their physical properties. Here we study quantum effects in structural and elastic…

Materials Science · Physics 2021-09-16 Carlos P. Herrero , Rafael Ramirez

We investigate the effects of roughness and fractality on the normal contact stiffness of rough surfaces. Samples of isotropically roughened aluminium surfaces are considered. The roughness and fractal dimension were altered through…

The molecular dynamics (MD) approach is an effective tool for investigating atomistic dynamical phenomena at the surface of materials under strong laser irradiation. Therefore, numerous laser ablation MD simulation studies have been…

Materials Science · Physics 2023-02-14 Ryo Kobayashi , Tomohito Otobe

This Letter is motivated by some recent experiments on pan-cake shaped nano-samples of metallic glass that indicate a decline in the measured shear modulus upon decreasing the sample radius. Similar measurements on crystalline samples of…

Soft Condensed Matter · Physics 2014-06-30 Yossi Cohen , Itamar Procaccia

Solid-state amorphization of crystalline copper nanolayers embedded in a Cu64Zr36 metallic glass is studied by molecular dynamics simulations for different orientations of the crystalline layer. We show that solid-state amorphization is…

Materials Science · Physics 2015-05-07 Tobias Brink , Daniel Şopu , Karsten Albe

The mechanisms of physical and chemical interactions of low temperature plasmas with surfaces can be fruitfully explored using molecular dynamics (MD) simulations. MD simulations follow the detailed motion of sets of interacting atoms…

Computational Physics · Physics 2015-05-13 David B. Graves , Pascal Brault

The cooling dynamics of glass-embedded noble metal nanoparticles with diameters ranging from 4 to 26 nm were studied using ultrafast pump-probe spectroscopy. Measurements were performed probing away from the surface plasmon resonance of the…

We apply a previously developed asymptotic model (J. Fluid. Mech. 915, A133 (2021)) to study instabilities of free surface films of nanometric thickness on thermally conductive substrates in two and three spatial dimensions. While the…

Fluid Dynamics · Physics 2021-10-26 Ryan H. Allaire , Linda J. Cummings , Lou Kondic

High velocity impact between crystalline surfaces is important for a range of material phenomena, yet a fundamental understanding of the effect of surface structure, energetics and kinetics on the underlying thermo-mechanical response…

Materials Science · Physics 2015-10-14 Zhenqi Yang , Sinan Muftu , Moneesh Upmanyu

The use of molecular dynamics (MD) simulations has led to promising results to unravel the atomistic origins of adhesive wear, and in particular for the onset of wear at nanoscale surface asperities. However, MD simulations come with a high…

Soft Condensed Matter · Physics 2022-06-29 Son Pham-Ba , Jean-François Molinari

Using molecular dynamics (MD) simulation, we investigate the mechanical response of silicon to high dose ion-irradiation. We employ a realistic and efficient model to directly simulate ion beam induced amorphization. Structural properties…

Materials Science · Physics 2009-10-31 Keith M. Beardmore , Niels Gronbech-Jensen

Damping rates of multipolar, localized surface plasmons (SP) of gold and silver nanospheres of radii up to $1000nm$ were found with the tools of classical electrodynamics. The significant increase in damping rates followed by noteworthy…

Optics · Physics 2012-11-21 Krystyna Kolwas , Anastasiya Derkachova

Using large-scale molecular dynamics simulations, we investigate the surface properties of lithium, sodium, and potassium silicate glasses containing 25 mole % of alkali oxide. The comparison of two types of surfaces, a melt-formed surface…

Disordered Systems and Neural Networks · Physics 2023-07-12 Zhen Zhang , Simona Ispas , Walter Kob

Molecular dynamics simulations are used to study contact between a rigid, nonadhesive, spherical tip with radius of order 30nm and a flat elastic substrate covered with a fluid monolayer of adsorbed chain molecules. Previous studies of bare…

Materials Science · Physics 2012-01-11 Shengfeng Cheng , Binquan Luan , Mark O. Robbins

Noble metal nanoparticles show specific optical properties due to the excitation of localized surface plasmons that make them attractive candidates for highly sensitive bionanosensors. The underlying physical principle is either an…

The melting of metallic nanoparticles is governed by surface pre-melting, a phenomenon traditionally modeled as the isotropic growth of a uniform liquid shell. Challenging this classical view, we report facet-dependent surface pre-melting…

Materials Science · Physics 2026-02-19 Marthe Bideault , Arnaud Allera , Ryoji Asahi , Jérôme Creuze , Erich Wimmer