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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

The dynamics of homogeneous nucleation and growth of crystalline nickel from the super-cooled melt is examined during rapid quenching using molecular dynamics and a modified embedded atom method potential. The character of the critical…

Materials Science · Physics 2009-11-10 F. J. Cherne , M. I. Baskes , R. B. Schwarz , S. G. Srinivasan , W. Klein

Chemical transformations, such as ion exchange, are commonly employed to modify nanocrystal compositions. Yet the mechanisms of these transformations, which often operate far from equilibrium and entail mixing diverse chemical species,…

Statistical Mechanics · Physics 2022-05-18 Layne B. Frechette , Christoph Dellago , Phillip L. Geissler

In a recent paper [1] we developed a theoretical model to describe current transients arising during electrochemical deposition experiments performed at the bottom of sub-micrometric cylindrical vessels with permeable walls. In the present…

Chemical Physics · Physics 2011-12-09 P. C. T. DÁjello , M. L. Sartorelli , L. Lauck

One of the most ubiquitous and technologically important phenomena in nature is the nucleation of homogeneous flowing systems. The microscopic effects of shear on a nucleating system are still imperfectly understood, although in recent…

Soft Condensed Matter · Physics 2021-08-11 Amrita Goswami , Jayant K. Singh

We review how phase-field models contributed to the understanding of various aspects of crystal nucleation including homogeneous and heterogeneous processes, and their role in microstructure evolution. We recall results obtained both by the…

Recent advances in experimental and computational techniques have allowed for an accurate description of the adsorption of ionic liquids on metallic electrodes. It is now well established that they adopt a multi-layered structure, and that…

Materials Science · Physics 2016-03-15 Benjamin Rotenberg , Mathieu Salanne

The density functional approach is used to study the gas-to-liquid and liquid-to-gas nucleation phenomena in a fluid of two-level atoms in an external electrical field. The influence of the field on the surface tension and nucleation and…

Condensed Matter · Physics 2016-08-31 O. V. Derzhko , V. M. Myhal

Nucleation of a new phase almost always starts at a surface. This surface is almost always assumed not to change with time. However, surfaces can roughen, partially dissolve and change chemically with time. Each of these irreversible…

Soft Condensed Matter · Physics 2015-03-25 Richard P. Sear

The configuration interaction approach to nuclear structure uses the effective Hamiltonian in a finite orbital space. The various parts of this Hamiltonian and their interplay are responsible for specific features of physics including the…

Nuclear Theory · Physics 2017-02-27 S. Karampagia , Vladimir Zelevinsky

The theoretical description of the heterogeneous nucleation kinetics is presented. This description takes into account the perturbation of the vapor phase initiated by the growing droplets. The form of the density profile around the growing…

Statistical Mechanics · Physics 2009-10-31 Victor Kurasov

Electrogenerated gas nanobubbles strongly influence the performance of electrochemical energy-conversion systems, yet their nucleation and early evolution remain poorly understood due to limitations of existing experimental and…

Soft Condensed Matter · Physics 2026-01-19 Nima Shakourifar , Nana Ofori-Opoku , Benzhong Zhao

We apply a simple dynamical density functional theory, the phase-field-crystal (PFC) model, to describe homogeneous and heterogeneous crystal nucleation in 2d monodisperse colloidal systems and crystal nucleation in highly compressed Fe…

Materials Science · Physics 2015-05-18 László Gránásy , György Tegze , Gyula I. Tóth , Tamás Pusztai

Heterogeneous nucleation is studied by Monte Carlo simulations and phenomenological theory, using the two-dimensional lattice gas model with suitable boundary fields. A chemical inhomogeneity of length b at one boundary favors the liquid…

Statistical Mechanics · Physics 2018-04-04 Marta L. Trobo , Ezequiel V. Albano , Kurt Binder

The generation of action potential brings into play specific mechanosensory stimuli manifest in the variation of membrane capacitance, resulting from the selective membrane permeability to ions exchanges and testifying to the central role…

Neurons and Cognition · Quantitative Biology 2021-02-23 Alain M. Dikande

Unlike fluids at thermal equilibrium, biomolecular mixtures in living systems can sustain nonequilibrium steady states, in which active processes modify the conformational states of the constituent molecules. Despite qualitative…

Soft Condensed Matter · Physics 2023-03-31 Yongick Cho , William M. Jacobs

Classical atomistic simulations based on interatomic potentials resolve lattice instabilities, defect nucleation, and microstructure evolution with high fidelity, but their accessible system sizes remain far below those required for…

Numerical Analysis · Mathematics 2026-05-26 Aagashram Neelakandan , Karsten Albe , Bernhard Eidel

Crystallization is one of the most important phase transformations of first order. In the case of metals and alloys, the liquid phase is the parent phase of materials production. The conditions of the crystallization process control the…

Materials Science · Physics 2016-11-03 Diter M. Herlach , Thomas Palberg

The properties of excited nuclear matter and the quest for a phase transition which is expected to exist in this system are the subject of intensive investigations. High energy nuclear collisions between finite nuclei which lead to matter…

Nuclear Theory · Physics 2009-11-06 J. Richert , P. Wagner

Ice nucleation is a process of great relevance in physics, chemistry, technology and environmental sciences, much theoretical and experimental efforts have been devoted to its understanding, but still it remains a topic of intense research.…

Soft Condensed Matter · Physics 2019-06-26 Haiyang Niu , Yi Isaac Yang , Michele Parrinello