Towards multiscale modelling of localised corrosion

Study of localized corrosion in AA2024 aluminium alloy using electron tomography

(2012) X. Zhou et al.   CORROSION SCIENCE

DFT theoretical study of 7-R-3methylquinoxalin-2(1H)-thiones (RH; CH3; Cl) as corrosion inhibitors in hydrochloric acid

(2012) Z. El Adnani et al.   CORROSION SCIENCE

Formation and structure of inhibitive molecular film of imidazole on iron surface

(2012) Anton Kokalj   CORROSION SCIENCE

Experimental and theoretical evaluation of semicarbazones and thiosemicarbazones as organic corrosion inhibitors

(2012) Carla Marins Goulart et al.   CORROSION SCIENCE

Passive films at the nanoscale

(2012) Vincent Maurice et al.   ELECTROCHIMICA ACTA

Energy-based coupling of smooth particle hydrodynamics and molecular dynamics with thermal fluctuations

(2012) G. C. Ganzenmüller et al.   European Physical Journal-Special Topics

Molecular-Level Understanding of the Inhibition Efficiency of Some Inhibitors of Zinc Corrosion by Quantum Chemical Approach

(2012) Gökhan Gece et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Numerical methods for the simulation of a corrosion model with moving oxide layer

(2012) C. Bataillon et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Corrosion Inhibition of Mild Steel in 1.0 M HCl by Amino Compound: Electrochemical and DFT Studies

(2012) Ahmed Y. Musa et al.   METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE

Cellular automata approach to corrosion and passivity phenomena

(2012) Łukasz Bartosik et al.   PURE AND APPLIED CHEMISTRY

Interaction of zinc interstitial with oxygen vacancy in zinc oxide: An origin of n-type doping

(2012) Dae-Hee Kim et al.   SOLID STATE COMMUNICATIONS

The effect of inhibitor structure on the corrosion of AA2024 and AA7075

(2011) T.G. Harvey et al.   CORROSION SCIENCE

Corrosion under a porous layer: A porous electrode model and its implications for self-repair

(2011) Murali Sankar Venkatraman et al.   ELECTROCHIMICA ACTA

Modeling localized aluminum alloy corrosion in chloride solutions under non-equilibrium conditions: Steps toward understanding pitting initiation

(2011) L.C. Abodi et al.   ELECTROCHIMICA ACTA

Novel approaches to multiscale modelling in materials science

(2011) J A Elliott   INTERNATIONAL MATERIALS REVIEWS

Modeling the first stages of Cu precipitation in α-Fe using a hybrid atomistic kinetic Monte Carlo approach

(2011) N. Castin et al.   JOURNAL OF CHEMICAL PHYSICS

Density functional theory-based electrochemical models for the oxygen reduction reaction: Comparison of modeling approaches for electric field and solvent effects

(2011) Kuan-Yu Yeh et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Quantum chemical studies on corrosion inhibition for series of thio compounds on mild steel in hydrochloric acid

(2011) Ahmed Y. Musa et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

Modeling the mechanics of amorphous solids at different length scale and time scale

(2011) D Rodney et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Insight of DFT and atomistic thermodynamics on the adsorption and insertion of halides onto the hydroxylated NiO(111) surface

(2010) A. Bouzoubaa et al.   CORROSION SCIENCE

Composition changes around sulphide inclusions in stainless steels, and implications for the initiation of pitting corrosion

(2010) David E. Williams et al.   CORROSION SCIENCE

Modeling the environmental dependence of pit growth using neural network approaches

(2010) M.K. Cavanaugh et al.   CORROSION SCIENCE

Studies of iron corrosion inhibition using chemical, electrochemical and computer simulation techniques

(2010) K.F. Khaled   ELECTROCHIMICA ACTA

Multiscale modelling of the corrosion of metals under atmospheric corrosion

(2010) I.S. Cole et al.   ELECTROCHIMICA ACTA

The theory of electron transfer

(2010) Stephen Fletcher   JOURNAL OF SOLID STATE ELECTROCHEMISTRY

What Determines the Inhibition Effectiveness of ATA, BTAH, and BTAOH Corrosion Inhibitors on Copper?

(2010) Anton Kokalj et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Computational Modeling of Bounding Conditions for Pit Size on Stainless Steel in Atmospheric Environments

(2010) Z. Y. Chen et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Finite Volume model for diffusion- and activation-controlled pitting corrosion of stainless steel

(2009) Stefan Scheiner et al.   COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING

Meeting report: future perspectives of corrosion science

(2009) G. S. Frankel et al.   CORROSION ENGINEERING SCIENCE AND TECHNOLOGY

High-throughput channel arrays for inhibitor testing: Proof of concept for AA2024-T3

(2009) P.A. White et al.   CORROSION SCIENCE

Ab initio modelling of localized corrosion: Study of the role of surface steps in the interaction of chlorides with passivated nickel surfaces

(2009) Asmae Bouzoubaa et al.   CORROSION SCIENCE

Breakdown Kinetics at Nanostructure Defects of Passive Films

(2009) Antoine Seyeux et al.   ELECTROCHEMICAL AND SOLID STATE LETTERS

Cellular automata modeling on pitting current transients

(2009) Li Lei et al.   ELECTROCHEMISTRY COMMUNICATIONS

What really controls the atmospheric corrosion of zinc? Effect of marine aerosols on atmospheric corrosion of zinc

(2009) I S Cole et al.   INTERNATIONAL MATERIALS REVIEWS

Influence of the Solvent on the Self-Assembly of a Modified Amyloid Beta Peptide Fragment. I. Morphological Investigation

(2009) V. Castelletto et al.   JOURNAL OF PHYSICAL CHEMISTRY B

On the Relationship between Nonstoichiometry and Passivity Breakdown in Ultrathin Oxides: Combined Depth-Dependent Spectroscopy, Mott−Schottky Analysis, and Molecular Dynamics Simulation Studies

(2009) Chia-Lin Chang et al.   Journal of Physical Chemistry C

Modeling the Current Distribution in Thin Electrolyte Films with Applications to Crevice Corrosion

(2009) Arun S. Agarwal et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Ab initiobased multiscale modelling for materials science

(2009) G Makov et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Factors influencing the deposition of Ce-based conversion coatings, Part II: The role of localised reactions

(2009) D. Lau et al.   SURFACE & COATINGS TECHNOLOGY

Factors influencing the deposition of Ce-based conversion coatings, part I: The role of Al3+ ions

(2009) A.E. Hughes et al.   SURFACE & COATINGS TECHNOLOGY

Nonequilibrium collective phenomena in the onset of pitting corrosion

(2009) A.S. Mikhailov et al.   SURFACE SCIENCE

Effect of rock shapes on brittle fracture using Smoothed Particle Hydrodynamics

(2009) R. Das et al.   THEORETICAL AND APPLIED FRACTURE MECHANICS

Fluctuation Theorems

(2008) E.M. Sevick et al.   Annual Review of Physical Chemistry

Numerical simulations of spatial heterogeneity formation in metal Corrosion

(2008) C. Vautrin-Ul et al.   CORROSION SCIENCE

A general model for the repassivation potential as a function of multiple aqueous species. 2. Effect of oxyanions on localized corrosion of Fe–Ni–Cr–Mo–W–N alloys

(2008) A. Anderko et al.   CORROSION SCIENCE

Modelling the relationship between microstructure of Galfan-type coated steel and cut-edge corrosion resistance incorporating diffusion of multiple species

(2008) N.C. Barnard et al.   CORROSION SCIENCE

Localized corrosion (pitting): A model of passivity breakdown including the role of the oxide layer nanostructure

(2008) P. Marcus et al.   CORROSION SCIENCE

A critical crevice solution and IR drop crevice corrosion model

(2008) Glyn F. Kennell et al.   CORROSION SCIENCE

Stochastic modelling of corrosion damage propagation in active sites from field inspection data

(2008) J.L. Alamilla et al.   CORROSION SCIENCE

The use of quantum chemical methods in corrosion inhibitor studies

(2008) Gökhan Gece   CORROSION SCIENCE

The nucleation and growth of metastable pitting on pure iron

(2008) H. Wang et al.   CORROSION SCIENCE

Quantum chemical studies on the corrosion inhibition of some sulphonamides on mild steel in acidic medium

(2008) Taner Arslan et al.   CORROSION SCIENCE

Initiation of localized corrosion at the nanoscale by competitive dissolution and passivation of nickel surfaces

(2008) Antoine Seyeux et al.   ELECTROCHIMICA ACTA

Evaluation of a simple microstructural-electrochemical model for corrosion damage accumulation in microstructurally complex aluminum alloys

(2008) M.K. Cavanaugh et al.   ENGINEERING FRACTURE MECHANICS

Neural networks for Nyquist plots prediction during corrosion inhibition of a pipeline steel

(2008) D. Colorado-Garrido et al.   JOURNAL OF SOLID STATE ELECTROCHEMISTRY

Products Formed during the Interaction of Seawater Droplets with Zinc Surfaces: I. Results from 1- and 2.5-Day Exposures

(2008) I. S. Cole et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Multiscale Model of Carbon Corrosion in a PEFC: Coupling with Electrocatalysis and Impact on Performance Degradation

(2008) Alejandro A. Franco et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Calculations of the Cathodic Current Delivery Capacity and Stability of Crevice Corrosion under Atmospheric Environments

(2008) Z. Y. Chen et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Combination of AFM, SKPFM, and SIMS to Study the Corrosion Behavior of S-phase particles in AA2024-T351

(2008) Loïc Lacroix et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Investigation and Discussion of Characteristics for Intermetallic Phases Common to Aluminum Alloys as a Function of Solution pH

(2008) N. Birbilis et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

First-Principles Analysis of the Initial Electroreduction Steps of Oxygen over Pt(111)

(2008) Michael J. Janik et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Passivity and Pit Stability Behavior of Copper as a Function of Selected Water Chemistry Variables

(2008) Hongbo Cong et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Relationships between strain, microstructure and oxide growth at the nano- and microscale

(2008) D. Kempf et al.   SURFACE AND INTERFACE ANALYSIS

An alternate explanation for the abrupt current increase at the pitting potential

(2007) J.R. Scully et al.   CORROSION SCIENCE

A micromorphic model for the multiple scale failure of heterogeneous materials

(2007) F VERNEREY et al.   JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS