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By combining x-ray excited Auger electron diffraction experiments and multiple scattering calculations we reveal a layer-resolved shift for the Mg KL23L23 Auger transition in MgO ultrathin films (4-6 \AA) on Ag(001). This resolution is…

材料科学 · 物理学 2015-06-16 T. Jaouen , S. Tricot , G. Delhaye , B. Lépine , D. Sébilleau , G. Jézéquel , P. Schieffer

First-principles calculations of the conventional and acoustic surface plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are presented. The effect of $s-d$ interband transitions on both types of plasmons is investigated by…

材料科学 · 物理学 2012-12-24 Jun Yan , Karsten W. Jacobsen , Kristian S. Thygesen

In this work, a thermodynamically consistent and conservative diffuse-interface model for gas-liquid-solid multiphase flows is proposed. In this model, a novel free energy for the gas-liquid-solid multiphase flows is established according…

流体动力学 · 物理学 2025-04-09 Chengjie Zhan , Xi Liu , Zhenhua Chai , Baochang Shi

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…

材料科学 · 物理学 2015-05-07 Tobias Brink , Daniel Şopu , Karsten Albe

Auger Electron Spectroscopy, Low Energy Electron Diffraction and Scanning Tunneling Microscopy have been used to study the atomic structure of a Zn monolayer deposited on Ag(111) and Ag(110) substrates at room temperature. On both faces,…

We study the conformation of a heterogeneous surfactant monolayer at a fluid-fluid interface, near a boundary between two lateral regions of differing elastic properties. The monolayer attains a conformation of shallow, steep `mesas' with a…

软凝聚态物质 · 物理学 2007-05-23 H. Diamant , T. A. Witten , A. Gopal , K. Y. C. Lee

Numerical studies of lattice-gas models are well suited to describe multi-adsorbate systems. One example is the underpotential deposition of Cu on Au(111) in the presence of sulfuric acid. Preliminary results from dynamic Monte Carlo…

统计力学 · 物理学 2009-09-25 Gregory Brown , Per Arne Rikvold , M. A. Novotny , Andrzej Wieckowski

We study the effect of surfactants on the dynamics of a drop-interface coalescence using full three-dimensional direct numerical simulations. We employ a hybrid interface-tracking/level-set method, which takes into account Marangoni…

流体动力学 · 物理学 2021-09-08 C. R. Constante-Amores , A. Batchvarov , L. Kahouadji , S. Shin , J. Chergui , D. Juric , O. K. Matar

Many ionic surfactants, such as sodium dodecyl sulphate (SDS) crystallize out of solution if the temperature falls below the crystallization boundary. The crystallization temperature is impacted by solution properties, and can be decreased…

Using density functional theory (DFT) based first principles calculations, we show that the preferred interfacial plane orientation relationship is determined by the strength of bonding at the interface. The thermodynamic stability, and the…

材料科学 · 物理学 2016-06-29 S. K. Yadav , R. Ramprasad , J. Wang , A. Misra , X. -Y. Liu

Faceted grain boundaries exhibit unusual segregation and migration tendencies. To gain a deeper understanding of how solute atoms interact with faceted interfacial structures during migration, this study probes the migration behavior of a…

材料科学 · 物理学 2020-11-20 Megan J. McCarthy , Timothy J. Rupert

We explore the morphological stability during the growth of strained multilayer structures in a dynamical model which describes the coupling of elastic fields, wetting effect, and deposition process. We quantitatively show the significant…

统计力学 · 物理学 2009-11-10 Zhi-Feng Huang , Daniel Kandel , Rashmi C. Desai

This study is an optimization of GaAs and Al$_{0.55}$Ga$_{0.45}$As growth on GaAs (111)B substrates with a surface misorientation of 2{\deg} towards [$\bar{2}$11], aiming to enhance surface morphology. For quantum optical metasurfaces…

材料科学 · 物理学 2025-03-04 T. Blaikie , M. C. Tam , S. Stich , M. Belkin , Z. R. Wasilewski

In this study, we regulate adhesion between thin metal films to produce a large-area vacuum nanogap for electron tunneling. Multilayer structures comprising thin metal films with adjustable adhesion were fabricated. The Cu/Ag/Ti/Si…

介观与纳米尺度物理 · 物理学 2015-06-17 Z. Taliashvili , A. Tavkhelidze , L. Jangidze , Y. Blagidze

Molecules adsorbing on metal surfaces form a variety of different surface polymorphs. How strongly this polymorphism affects interface properties is a priori unknown. In this work we investigate how strongly the surface polymorphism…

材料科学 · 物理学 2022-03-14 Andreas Jeindl , Lukas Hörmann , Oliver T. Hofmann

We present a coarse-grained model for ionic surfactants in explicit aqueous solutions, and study by computer simulation both the impact of water content on the morphology of the system, and the consequent effect of the formed interfaces on…

软凝聚态物质 · 物理学 2015-03-16 Samuel Hanot , Sandrine Lyonnard , Stefano Mossa

Adsorption of surfactants to fluid interfaces occurs in daily-life and technological contexts like dish washing and oil spill remediation. The surfactant surface coverage $\Gamma$ governs interface characteristics like tension $\gamma$,…

软凝聚态物质 · 物理学 2025-12-01 Kay-Robert Dormann , Joshua Reed , Daniel Mitlewski , Matej Kanduč , Benno Liebchen , Emanuel Schneck

Employing density functional theory calculations we explore initial stage of competitive alloying of co-deposited silver and indium atoms into a silicon surface. Particularly, we identify respective adsorption positions and activation…

材料科学 · 物理学 2023-02-17 D. V. Prodan , G. V. Paradezhenko , D. Yudin , A. A. Pervishko

A multispecies diffuse interface model is formulated in a fluctuating hydrodynamics framework for the purpose of simulating surfactant interfaces at the nanoscale. The model generalizes previous work to ternary mixtures, employing a…

流体动力学 · 物理学 2025-08-26 John B. Bell , Andrew Nonaka , Alejandro L. Garcia

Tungsten is a leading candidate material for plasma-facing components in future fusion reactors. Extensive studies have been performed to better understand its behavior under irradiation. Recent experiments of Rutherford backscattering…

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