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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

This paper presents a study of the effects of proton irradiation on iron corrosion. Since it is known that in humid atmospheres, iron corrosion is enhanced by the double influence of air and humidity, we studied the iron corrosion under…

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

We construct the QCD equation of state at finite chemical potentials including net baryon, electric charge, and strangeness, based on the conserved charge susceptibilities determined from lattice QCD simulations and the equation of state of…

Nuclear Theory · Physics 2019-08-21 Akihiko Monnai , Björn Schenke , Chun Shen

The development of non-uniform reaction current distribution within porous electrodes is a ubiquitous phenomenon during battery charging / discharging and frequently controls the rate performance of battery cells. Reaction inhomogeneity in…

Applied Physics · Physics 2020-05-25 Fan Wang , Ming Tang

Corrosion originates from atomistic reactions occurring at dynamic solid liquid interfaces however, direct experimental observation of these reactions has remained elusive due to the inability to preserve transient interfacial states during…

We analyze the experimental hadron yield ratios for central nucleus-nucleus collisions in terms of thermal model calculations over a broad energy range, $\sqrt{s_{NN}}$=2.7-200 GeV. The fits of the experimental data with the model…

Nuclear Theory · Physics 2008-11-26 A. Andronic , P. Braun-Munzinger , J. Stachel

Influence of the temperature dependent chemical potential on the condensation energy from a ternary Boson-Fermion model of superconductivity is reported, it consist of unbound electrons/holes which are fermions plus two-electron and…

Superconductivity · Physics 2022-09-07 I. Chávez , P. Salas , O. A. Rodríguez , M. A. Solís , M. de Llano

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

Resistivity saturation is observed in many metallic systems with a large resistivity, i.e., when the resistivity has reached a critical value, its further increase with temperature is substantially reduced. This typically happens when the…

Strongly Correlated Electrons · Physics 2009-11-10 O. Gunnarsson , M. Calandra , J. E. Han

Chemical reactions involve the movement of charges, and this work presents a mathematical model for describing chemical reactions in electrolytes. The model is developed using an energy variational method that aligns with classical…

Chemical Physics · Physics 2023-11-02 Shixin Xu , Robert Eisenberg , Zilong Song , Huaxiong Huang

Relativistic heavy ion collisions are studied assuming that particles can be described by a hadron gas in thermal and chemical equilibrium. The exact conservation of baryon number, strangeness and charge are explicitly taken into account.…

Nuclear Theory · Physics 2008-11-26 J. Cleymans , M. Marais , E. Suhonen

A number of degradation mechanisms have been observed during the long-term operation of solid oxide electrolysis cells (SOEC). Using an electrolyte charge carrier transport model, we quantify the oxygen potentials across the electrolyte and…

Applied Physics · Physics 2020-06-05 Qian Zhang , Qinyuan Liu , Beom-Kyeong Park , Scott Barnett , Peter Voorhees

Constructing a self-consistent first-principles framework that accurately predicts the properties of electron transfer reactions through finite-temperature molecular dynamics simulations is a dream of theoretical electrochemists and…

Chemical Physics · Physics 2024-09-18 Ryosuke Jinnouchi , Ferenc Karsai , Georg Kresse

Simulations of the generation of the atomic polarization is necessary for interpreting the second solar spectrum. For this purpose, it is important to rigorously determine the effects of the isotropic collisions with neutral hydrogen on the…

Solar and Stellar Astrophysics · Physics 2016-08-24 Moncef Derouich

Electron motion in an oblique shock wave is studied by means of a one-dimensional, relativistic, electromagnetic, particle simulation code with full ion and electron dynamics. It is found that an oblique shock can produce electrons with…

Plasma Physics · Physics 2009-10-31 Naoki Bessho , Yukiharu Ohsawa

Experiments determining the lifetime of excited electrons in crystalline copper reveal states which cannot be interpreted as Bloch states [S. Ogawa {\it et al.}, Phys. Rev. B {\bf 55}, 10869 (1997)]. In this article we propose a model which…

Materials Science · Physics 2016-08-24 Wolf-Dieter Schöne , Walter Ekardt

An important objective of designing lithium-ion rechargeable battery cells is to maximize their rate performance without compromising the energy density, which is mainly achieved through computationally expensive numerical simulations at…

Materials Science · Physics 2020-05-05 Fan Wang , Ming Tang

The effect of an oscillating electric field normal to a metallic surface may be described by an effective potential. This induced potential is calculated using semiclassical variants of the random phase approximation (RPA). Results are…

Mesoscale and Nanoscale Physics · Physics 2016-08-31 Michael Wilkinson

Understanding the response of the surface of metallic solids to external electric field sources is crucial to characterize electrode-electrolyte interfaces. Continuum electrostatics offer a simple description of the induced charge density…

Chemical Physics · Physics 2021-12-14 Giovanni Pireddu , Laura Scalfi , Benjamin Rotenberg

We present a determination of freeze-out conditions in heavy-ion collisions based on ratios of cu- mulants of net electric charge fluctuations obtained from lattice QCD. These ratios can reliably be calculated for a wide range of chemical…

High Energy Physics - Lattice · Physics 2014-05-01 Mathias Wagner
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