相关论文: Passivity of Metals: Potential-Step Transients for…

A variant of the point defect model originally enunciated by Macdonald and co-workers is advanced and its theoretical implications for the steady state current density, barrier layer thickness and the concentration of metal vacancy at the…

In this paper we study the effect of addition of chloride on the stability of the compact oxide layer pre-existing on a metal surface at a given impressed potential and . The variant of the point defect model (PDM)advanced by us recently is…

The Point Defect Model (PDM) is known for over 40 years and has brought deeper insight to the understanding of passivity. During the last decades it has seen several changes and refinements, and it has been widely used to analyze growth…

We test the consistency with which Simmons' model can predict the local current density obtained for flat metal-vacuum-metal junctions. The image potential energy used in Simmons' original papers had a missing factor of 1/2. Besides this…

A thin oxide layer protects metals from electrochemical corrosion and hence the stability of this oxide layer is crucial for corrosion resistance of metals. The dynamics of cationic and anionic point defects which are injected into this…

Using the framework of generalized exclusion processes we study mixtures of passive and active particles interacting by steric repulsion. The particles move in a pore with periodically modulated aperture, which is modeled by a…

Making use of the energetics and equations of state of defective uranium dioxide that calculated with first-principles method, we demonstrate a possibility of constraining the formation energy of point defects by measuring the transition…

A known limitation of time-dependent mean-field approaches is a lack of quantum tunneling for collective motions such as in sub-barrier fusion reactions. As a first step toward a solution, a time-dependent model is considered using a…

The tunability of physical properties in transition metal dichalcogenides (TMDCs) through point defect engineering offers significant potential for the development of next-generation optoelectronic and high-tech applications. Building upon…

In any consistent electrochemical systems model that addresses more than one interface, the total current at the interfaces should be equal to one another and to the current in the external circuit. The point defect model of Macdonald and…

The time evolution of the thermally activated decay rates is considered. This evolution is of particular importance for the recent nanoscale experiments discussed in the literature, where the potential barrier is relatively low (or the…

We introduce and solve a model of hardcore particles on a one dimensional periodic lattice which undergoes an active-absorbing state phase transition at finite density. In this model an occupied site is defined to be active if its left…

Phase-Field Crystal (PFC) models are able to resolve atomic length scale features of materials during temporal evolution over diffusive time scales. Traditional PFC models contain solid and liquid phases, however many important materials…

We study the thermodynamical properties of compressed baryonic matter with strangeness within non-relativistic energy density functional models with a particular emphasis on possible phase transitions found earlier for a simple…

Transition-metal centers are the active sites for many biological and inorganic chemical reactions. Notwithstanding this central importance, density-functional theory calculations based on generalized-gradient approximations often fail to…

The explicit expressions for a nonresonant tunneling current mediated by the bridging units of the molecular wire embedded between the metallic electrodes, are derived. The specific regimes of the charge transmission controlled by…

We study by simulation a mixture of active (run-and-tumble) and passive (Brownian) particles with repulsive exclusion interactions in one dimension, subject to a ratchet (smoothed sawtooth) potential. Such a potential is known to rectify…

We investigate the totally asymmetric simple exclusion process (TASEP) in the presence of obstacles that dynamically bind and unbind from the lattice. The model is motivated by biological processes such as transcription in the presence of…

The average current of an overdamped Brownian particle moving along the axis of a three-dimensional periodic tube is investigated in the presence of a symmetric potential and a temporally symmetric unbiased external force. Reduction of the…

We investigate the transient response of a $\Lambda$-type system with one transition decaying to a modified radiation reservoir with an inverse square-root singular density of modes at threshold, under conditions of transparency. We…