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Atomistic theory holds the promise for the ab initio development of superalloys based on the fundamental principles of quantum mechanics. The last years showed a rapid progress in the field. Results from atomistic modeling enter…

Materials Science · Physics 2021-11-08 Thomas Hammerschmidt , Jutta Rogal , Erik Bitzek , Ralf Drautz

The experimental line shape broadening observed in adsorbate diffusion on metal surfaces with increasing coverage is usually related to the nature of the adsorbate-adsorbate interaction. Here we show that this broadening can also be…

Statistical Mechanics · Physics 2007-06-13 R. Martinez-Casado , J. L. Vega , A. S. Sanz , S. Miret-Artes

We study the behavior of aqueous surfactant solutions in the bulk phase and in slit-like pores by molecular dynamics. Adsorption and self-assembly of nonionic surfactants C$_7$E$_3$ that mimic alkyl poly(ethylene oxide) molecules are…

Soft Condensed Matter · Physics 2026-03-31 T. Staszewski , M. Borówko

Atom scattering is becoming recognized as a sensitive probe of the electron-phonon interaction parameter $\lambda$ at metal and metal-overlayer surfaces. Here, the theory is developed linking $\lambda$ to the thermal attenuation of atom…

Superconductivity · Physics 2020-05-20 G. Benedek , J. R. Manson , S. Miret-Artés

Interfaces between a bulk-insulating topological insulator (TI) and metallic adatoms have been studied using high-resolution, angle-resolved and core-level photoemission. Fe, Nb and Ag were evaporated onto Bi1.5Sb0.5Te1.7Se1.3 (BSTS)…

NO molecules adsorbed on a Pt(111) surface from dipping in an acidic nitrite solution are studied by near edge X-ray absorption fine structure spectroscopy (NEXAFS), X-ray photoelectron spectroscopy (XPS), low energy electron diffraction…

Passivating lithium ion battery electrode surfaces to prevent electrolyte decomposition is critical for battery operations. Recent work on conformal atomic layer deposition (ALD) coating of anodes and cathodes has shown significant…

Surface alloying is shown to produce electronic states with a very large spin-splitting. We discuss the long range ordered bismuth/silver(111) surface alloy where an energy bands separation of up to one eV is achieved. Such strong…

We present a dry surface treatment combining atomic layer etching and deposition (ALE and ALD) to mitigate dielectric loss in fully fabricated superconducting quantum devices formed from aluminum thin films on silicon. The treatment,…

Direct comparison of scanning tunneling microscopy and high resolution core level photo-emission experiments provides a rationale for the mechanism of formation of a two dimensional (2D) binary alloy (1/3 mono-layer (ML) Sn(1-…

Materials Science · Physics 2007-05-23 L. Ottaviano , G. Profeta , L. Petaccia , C. Nacci , S. Santucci , A. Pesci , M. Pedio

In film growth on quasicrystalline surfaces, the epitaxy-imposed ordering cannot compete with the stable bulk phases of thick films due to absence of translational order in the structure of the substrate. Energetically, this renders the…

Materials Science · Physics 2010-07-01 Mehmet Erbudak , Muhittin Mungan , Sven Burkardt

The Hermitian part of the dipole-dipole interaction in infinite periodic arrays of two-level atoms yields an energy band of singly excited states. In this Letter, we show that a dispersion relation, $\omega_k-\omega_{k_\ex} \propto…

Quantum Physics · Physics 2020-12-15 Yu-Xiang Zhang , Klaus Mølmer

Phase selection in deeply undercooled liquids and devitrified glasses during heating involves complex interplay between the barriers to nucleation and the ability for these nuclei to grow. During the devitrification of glassy alloys,…

Slippery covalently attached liquid surfaces (SCALS) are a family of nanothin polymer layers with remarkably low static droplet friction, characterised by a low contact angle hysteresis (CAH$< 5 \deg$), which makes them ideally suited to…

Soft Condensed Matter · Physics 2024-10-02 Fabio Rasera , Isaac J. Gresham , Antonio Tinti , Chiara Neto , Alberto Giacomello

Recently developed single-phase concentrated solid-solution alloys (CSAs) contain multiple elemental species in high concentrations with different elements randomly arranged on a crystalline lattice. These chemically disordered materials…

Computational Physics · Physics 2025-02-19 K. Frydrych , F. J. Dominguez-Gutierrez , M. J. Alava , S. Papanikolaou

The qualitative solvent- and temperature-dependent conformational behavior of a peptide in the proximity of solid substrates with different adsorption properties is investigated by means of a simple lattice model. The resulting pseudophase…

Soft Condensed Matter · Physics 2007-10-25 Michael Bachmann , Wolfhard Janke

We develop mean-field kinetic equations for a lattice gas model of a binary alloy with vacancies (ABv model) in which diffusion takes place by a vacancy mechanism. These equations are applied to the study of phase separation of finite…

Materials Science · Physics 2007-05-23 Mathis Plapp , Jean-Francois Gouyet

Direct observations using scanning transmission electron microscopy unveil an intriguing interfacial bi-layer that enables epitaxial growth of a strain-free, monoclinic, bronze-phase VO2(B) thin film on a perovskite SrTiO3 (STO) substrate.…

The adsorption kinetics of the cationic surfactant dodecyltrimethylammonium bromide at the air-water interface has been studied by the maximum bubble pressure method at concentrations below the critical micellar concentration. At short…

Soft Condensed Matter · Physics 2011-03-25 Hernan Ritacco , Dominique Langevin , Haim Diamant , David Andelman

For ethylene carbonate on the (100) surface of lithium, we calculate the adsorption energy in two binding motifs as well as the barrier height for a ring-opening decomposition reaction. We validate a scheme for producing results in the…