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We investigate shock-compressed copper in the warm dense matter regime by means of density functional theory molecular dynamics simulations. We use neural-network-driven interatomic potentials to increase the size of the simulation box and…

Other Condensed Matter · Physics 2022-12-07 Maximilian Schörner , Bastian B. L. Witte , Andrew D. Baczewski , Attila Cangi , Ronald Redmer

Molecular dynamics (MD) simulations are employed to investigate the capillary fluctuations of steps on the surface of a model metal system. The fluctuation spectrum, characterized by the wave number ($k$) dependence of the mean squared…

Materials Science · Physics 2017-10-25 Rodrigo Freitas , Timofey Frolov , Mark Asta

In this paper we investigate by means of first-principles density functional theory calculations the (111) surface of the Ag-Cu alloy under varying conditions of pressure of the surrounding oxygen atmosphere and temperature. This alloy has…

Materials Science · Physics 2009-11-13 Simone Piccinin , Catherine Stampfl , Matthias Scheffler

High-sensitivity laser spectroscopy is integral to applications like atomic clocks, quantum computers, and chemical sensing. Lowering atomic temperature decreases spectral Doppler broadening and increases transit time across the excitation…

Atomic Physics · Physics 2025-07-15 V. J. Ajith , Aaron Barr , Mark Raizen

Copper and hydrogen are among the most common elements that are widely used in industrial and fundamental research applications. Copper surfaces are often exposed to hydrogen in the form of charged ions. The hydrogen ions can accelerate…

Diamond is a promising candidate for enhancing the negative-ion surface production in the ion sources for neutral injection in fusion reactors; hence evaluation of its reactivity towards hydrogen plasma is of high importance. High quality…

Kinetics of homogeneous nucleation and growth of copper precipitates under electron irradiation of Fe_{1-x}Cu_x alloys at concentrations x from 0.06 at.% to 0.4 at.% and temperatures T from 290 to 450C is studied using the kinetic Monte…

Materials Science · Physics 2015-06-15 V. G. Vaks , F. Soisson , I. A. Zhuravlev

We report a first principles theoretical study of the surface relaxation and lattice dynamics of the Cu(211) surface using the plane wave pseudopotential method. We find large atomic relaxations for the first several atomic layers near the…

Materials Science · Physics 2009-10-30 C. Y. Wei , Steven P. Lewis , E. J. Mele , Andrew M. Rappe

Recent experimental studies focusing on the morphological properties of surfaces eroded by ion-bombardment report the observation of self-affine fractal surfaces, while others provide evidence about the development of a periodic ripple…

Statistical Mechanics · Physics 2008-02-03 A. -L. Barabasi , M. A. Makeev , C. S. Lee , R. Cuerno

Copper is a highly promising catalyst for the electrochemical CO$_2$ reduction reaction (CO2RR) since it is the only pure metal that can form highly added-value products such as ethylene and ethanol. Since the CO2RR takes place in aqueous…

Materials Science · Physics 2025-09-23 Linus C. Erhard , Johannes Schörghuber , Aleix Comas-Vives , Georg K. H. Madsen

We present the effect of a nanostructured surface on the emission of ions and electrons from intense (5-36 Petwatt per sq.cm) femtosecond laser produced plasmas. Electrons from optically polished copper targets coated with copper…

Plasma Physics · Physics 2015-06-26 S. Bagchi , P. Prem Kiran , M. K. Bhuyan , S. Bose , P. Ayyub , M. Krishnamurthy , G. Ravindra Kumar

Radiation creep and swelling are irreversible deformation phenomena occurring in materials irradiated even at low temperatures. On the microscopic scale, energetic particles initiate collision cascades, generating and eliminating defects…

Materials Science · Physics 2024-09-23 Luca Reali , Max Boleininger , Daniel R. Mason , Sergei L. Dudarev

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…

Topography evolution of Si(100) surface due to oblique incidence low energy ion beam sputtering (IBS) is investigated. Experiments were carried out at different elevated temperatures from 20$^{\circ}$C to 450$^{\circ}$C and at each…

Materials Science · Physics 2016-04-08 Debasree Chowdhury , Biswarup Satpati , Debabrata Ghose

Detailed KMC-MD (kinetic Monte Carlo-molecular dynamics) simulations of hyperthermal energy (10-100 eV) copper homoepitaxy have revealed a re-entrant layer-by-layer growth mode at low temperatures (50K) and reasonable fluxes (1 ML/s). This…

Materials Science · Physics 2007-05-23 J. M. Pomeroy , J. Jacobsen , C. C. Hill , B. H. Cooper , J. P. Sethna

Fluid dynamics simulations of melting and crater formation at the surface of a copper cathode exposed to high plasma heat fluxes and pressure gradients are presented. The predicted deformations of the free surface and the temperature…

Computational Physics · Physics 2020-08-10 L. Vignitchouk , A. Khodak , S. Ratynskaia , I. D. Kaganovich

Cu is an ubiquitous material used in industry for its great thermal and electrical properties. Studying the high-pressure high temperature properties of copper (Cu) is relevant for nuclear fusion research as projectiles and flyers used in…

Understanding the underlying factors responsible for higher-than-anticipated local field enhancements that trigger vacuum breakdown on pristine metal surfaces is crucial for the development of devices capable of withstanding intense…

Mesoscale and Nanoscale Physics · Physics 2024-03-19 Soumendu Bagchi , Evgenya Simakov , Danny Perez

Laser pulses with a duration of the order of femtoseconds lead to a strong excitation, heating and potentially to ablation of the irradiated material. During the time of strong excitation, the interaction of the atoms and thus the material…

Materials Science · Physics 2025-07-01 Simon Kümmel , Johannes Roth

The interaction between graphene and metals represents an important issue for the large-area preparation of graphene, graphene transfer and the contact quality in graphene devices. We demonstrate a simple method for estimating and…

Materials Science · Physics 2023-03-06 Sara D. Costa , Johan Ek Weis , Otakar Frank , Martin Kalbac