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Charge transport in porous electrodes is foundational for modern energy storage technologies like supercapacitors, fuel cells, and batteries. Supercapacitors in particular rely solely on storing energy in charged pores. Here, we simulate…

Soft Condensed Matter · Physics 2025-12-12 Aaron D. Ratschow , Alexander J. Wagner , Mathijs Janssen , Steffen Hardt

Vacuum breakdowns in particle accelerators and other devices operating at high electric fields is a common problem in the operation of these devices. It has been proposed that the onset of vacuum breakdowns is associated with appearance of…

Materials Science · Physics 2018-05-29 Kristian Kuppart , Simon Vigonski , Alvo Aabloo , Flyura Djurabekova , Vahur Zadin

Correlations related to local charge conservation provide insight into the creation and evolution of up, down and strange charges in the quark-gluon plasma. Here, the evolution of charge correlations is overlaid onto a hydrodynamic…

Nuclear Theory · Physics 2019-05-01 Scott Pratt , Christopher Plumberg

The fourth-order correlations of conserved charges, such as the baryon number, electric charge, and strangeness, are studied at finite temperature and nonzero baryon chemical potential in an effective model. It is found that the…

High Energy Physics - Phenomenology · Physics 2015-03-17 Wei-jie Fu , Yue-liang Wu

A new partial differential model for monitoring and detecting copper corrosion products (mainly brochantite and cuprite) is proposed to provide predictive tools suitable for describing the evolution of damage induced on bronze specimens by…

Mathematical Physics · Physics 2012-11-30 Fabrizio Clarelli , Barbara De Filippo , Roberto Natalini

Failures attributed to hydrogen embrittlement are a major concern for metals so a better understanding of damage micro-mechanisms and hydrogen diffusion within the metal is needed. Local concentrations depend on transport phenomena…

Chemical Physics · Physics 2020-08-03 A. Díaz , I. I. Cuesta , E. Martínez-Pañeda , J. M. Alegre

Machine-learning potentials are usually trained on the ground-state, Born-Oppenheimer energy surface, which depends exclusively on the atomic positions and not on the simulation temperature. This disregards the effect of thermally-excited…

Materials Science · Physics 2022-09-30 Chiheb Ben Mahmoud , Federico Grasselli , Michele Ceriotti

Electrodeposition is a fundamental process in electrochemistry, and has applications in numerous industries, such as corrosion protection, decorative finishing, energy storage, catalysis, and electronics. While there is a long history of…

Materials Science · Physics 2025-06-02 Shayantan Chaudhuri , Reinhard J. Maurer

In order to interpret and predict the behavior and properties of fusion plasma, accurate cross sections for electronic processes in collisions between plasma impurities and atomic hydrogen are required. In this work, we investigate the…

Atomic Physics · Physics 2024-12-30 C. C. Jia , Y. Y. Qi , J. J. Niu , Y. Wu J. G. Wang , A. Dubois , N. Sisourat , J. W. Gao

Ab initio modeling of electrochemical systems is becoming a key tool for understanding and predicting electrochemical behavior. Development and careful benchmarking of computational electrochemical methods are essential to ensure their…

Chemical Physics · Physics 2017-03-01 Ravishankar Sundararaman , Kathleen Schwarz

Data for inelastic processes due to hydrogen atom collisions with iron are needed for accurate modelling of the iron spectrum in late-type stars. Excitation and charge transfer in low-energy Fe+H collisions is studied theoretically using a…

Solar and Stellar Astrophysics · Physics 2018-05-09 P. S. Barklem

We introduce an experimental setup to chemically image corrosion processes at metal-electrolyte interfaces under stagnant, confined conditions relevant in a wide range of situations. The setup is based on a glass capillary, in which…

The mechanism of stochastic electron acceleration in colliding laser waves is investigated by employing proper canonical variables and effective time, such that the new Hamiltonian becomes time independent when the perturbative (weaker)…

Plasma Physics · Physics 2019-05-22 Yanzeng Zhang , Sergei Krasheninnikov

As global energy demands escalate, and the use of non-renewable resources become untenable, renewable resources and electric vehicles require far better batteries to stabilize the new energy landscape. To maximize battery performance and…

The prediction of material degradation is an important problem to solve in many industries. Environmental conditions, such as humidity and temperature, are important drivers of degradation processes, with corrosion being one of the most…

A significant problem associated with batteries is the rapid reduction of charge-storage capacity with increasing charge/discharge rate. For example, improving this rate-performance is required for fast-charging of car batteries.…

The rapid charging and/or discharging of electrochemical cells can lead to localized depletion of electrolyte concentration. This depletion can significantly impact the system's time dependent resistance. For systems with porous electrodes,…

Chemical Physics · Physics 2017-12-27 James W. Palko , Ali Hemmatifar , Juan G. Santiago

An appropriate model Hamiltonian based formalism is proposed for a random adsorbate layer with arbitrary coverage and the ensuing two-dimensional band formation by metallic adsorbates in the monolayer regime. The coherent potential…

Chemical Physics · Physics 2007-05-23 A. K. Mishra

The Lorenz ratio serves as a measure to compare thermal and electric conductivities of metals. Recent experiments observed small Lorenz ratios in the compensated metal WP$_2$, indicating that charge flow is strongly favored over heat…

Strongly Correlated Electrons · Physics 2021-04-26 Woo-Ram Lee , Karen Michaeli , Georg Schwiete

A modelling framework for predicting carbonation-induced corrosion in reinforced concrete is presented. The framework constituents include a new model for water transport in cracked concrete, a link between corrosion current density and…

Computational Engineering, Finance, and Science · Computer Science 2024-05-07 E. Korec , L. Mingazzi , F. Freddi , E. Martínez-Pañeda