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We established a method to assay $^{210}$Pb and $^{210}$Po contaminations in the bulk of copper samples using a low-background alpha particle counter. The achieved sensitivity for the $^{210}$Pb and $^{210}$Po contaminations reaches a few…

We present first-principles kinetic Monte Carlo (1p-kMC) simulations addressing the CO oxidation reaction at Pd(100) for gas-phase conditions ranging from ultra-high vacuum (UHV) to ambient pressures and elevated temperatures. For the…

Materials Science · Physics 2014-01-30 Max J. Hoffmann , Karsten Reuter

We present a High-Pressure X-ray Photoelectron Spectroscopy (HP-XPS) and first-principles kinetic Monte Carlo study addressing the nature of the active surface in CO oxidation over Pd(100). Simultaneously measuring the chemical composition…

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…

The influence of the interlayer cations, sonication and grinding on surface area of the vermiculite from Santa Olalla has been studied. For untreated samples the surface area increases with the size of the exchanged cation and only the…

The oxidation behavior of W-Zr thin-film metallic glasses (TFMGs) with 32, 48 and 61 at.% Zr, prepared by dc magnetron co-sputtering, was comprehensively studied after annealing in synthetic air. The study focuses on the effect of the…

To understand surface structural modifications for Au/Si (100) system, a thin gold film of ~2.0 nm was deposited under ultra high vacuum (UHV) condition on reconstructed Si surfaces using molecular beam epitaxy (MBE). Post annealing was…

Materials Science · Physics 2017-12-06 A. Rath , J. K Dash , R. R. Juluri , P. V. Satyam

A general form for the surface roughness effects on the capacitance of a capacitor is proposed. We state that a capacitor with two uncoupled rough surfaces could be treated as two capacitors in series which have been divided from the mother…

Statistical Mechanics · Physics 2015-05-11 Tayeb Jamali , S. Vasheghani Farahani , Mona Jannesar , George Palasantzas , G. R. Jafari

Alkali halide (100) crystal surfaces are poorly wetted by their own melt at the triple point. We carried out simulations for NaCl(100) within the well tested BMHFT model potential. Calculations of the solid-vapor, solid-liquid and…

Materials Science · Physics 2008-09-25 D. Ceresoli , T. Zykova-Timan , U. Tartaglino , E. Tosatti

The solid-state reaction was used to synthesize CoO2 nanostructured material. Cobalt nitrate tetrahydrate and sodium oxide (NaOH) were combined to produce CoO2 nanostructured material. The three synthesized working electrodes were each…

Materials Science · Physics 2025-02-12 Shoaib Akram , Muneeb ur Rahman , Fazli Maula , Osama Tariq Satti , Shahbaz Afzal , Fawad Ali

A computational framework integrating thermodynamics, kinetics, and mechanical stress calculations is developed to study supercritical CO2 induced corrosion in model Fe-based MA956 and Ni-based H214 alloys. Empirical models parametrized…

Materials Science · Physics 2023-06-02 Aditya Sundar , Aaron Feinauer , Bryan Kinzer , Joerg Petrasch , Liang Qi , Rohini Bala Chandran

Spectral directional emissivity has been measured in copper between 3 and 24 {\mu}m above room temperature. The experimental spectrum shows a weak broad peak between 7 and 14 {\mu}m, which is much more acute for higher emission angles.…

Electropolishing is the premier surface preparation method for high-Q, high-gradient superconducting RF cavities made of Nb. This leaves behind an apparently smooth surface, yet the achievable peak magnetic fields fall well below the…

Superconductivity · Physics 2026-02-18 Oleksandr Hryhorenko , Anne-Marie Valente-Feliciano , Eric M. Lechner

We detail experimental results inferring ionization and temperature for warm dense copper plasmas at several times solid density (15 to 25 g/cm$^3$) and temperatures of 10 to 21 eV. Experiments performed at the OMEGA Laser Facility generate…

Copper nanolines fabricated by the damascene process are commonly used as interconnects in advanced electronic devices. The copper resistivity increases above the bulk value because of confinement, in detriment of performance. Recent…

Mesoscale and Nanoscale Physics · Physics 2009-06-23 T. E. Huber , P. Trottman , J. B. Halpern

Surfaces which do not exhibit surface melting below the melting point (nonmelting surfaces) have been recently observed to sustain a very large amount of overheating. We present a theory which identifies a maximum overheating temperature,…

Condensed Matter · Physics 2009-10-22 Francesco D. Di Tolla , Furio Ercolessi , Erio Tosatti

We present a density-functional theory based kinetic Monte Carlo study of CO oxidation at the (111) facet of RuO$_2$. We compare the detailed insight into elementary processes, steady-state surface coverages and catalytic activity to…

Materials Science · Physics 2015-12-09 Tongyu Wang , Karsten Reuter

Understanding the oxidation and reduction mechanisms of catalytically active transition metal nanoparticles is important to improve their application in a variety of chemical processes. In nanocatalysis the nanoparticles can undergo…

Chemical Physics · Physics 2017-05-18 Alec Lagrow , Michael Ward , David Lloyd , Pratibha Gai , Edward Boyes

Electron transport is studied in surface oxidized single-crystal copper thin films with a thickness of up to 5.6 nm by applying density functional theory and density functional tight binding methods to determine electron transport…

In this paper, the role of air humidity on the iron corrosion under irradiation is studied in the context of geological disposal of nuclear wastes. The irradiation experiments are performed at room temperature using a 3 MeV extracted proton…

Chemical Physics · Physics 2016-08-16 S. Lapuerta , N. Moncoffre , N. Bérerd , H. Jaffrézic , N. Millard-Pinard , D. Crusset
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