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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…

材料科学 · 物理学 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…

化学物理 · 物理学 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…

核理论 · 物理学 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…

应用物理 · 物理学 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…

核理论 · 物理学 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…

超导电性 · 物理学 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…

材料科学 · 物理学 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…

强关联电子 · 物理学 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…

化学物理 · 物理学 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.…

核理论 · 物理学 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…

应用物理 · 物理学 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…

化学物理 · 物理学 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…

太阳与恒星天体物理 · 物理学 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…

等离子体物理 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

介观与纳米尺度物理 · 物理学 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…

化学物理 · 物理学 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…

高能物理 - 格点 · 物理学 2014-05-01 Mathias Wagner