Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: an overview
The use of computational chemistry as a tool in the design and development of organic
corrosion inhibitors has been greatly enhanced by the development of density functional …
corrosion inhibitors has been greatly enhanced by the development of density functional …
The history of the Point Defect Model for the passive state: A brief review of film growth aspects
DD Macdonald - Electrochimica Acta, 2011 - Elsevier
A review is presented of the history of the Point Defect Model (PDM) for the growth and
breakdown of passive films that form on the surfaces of reactive metals in contact with …
breakdown of passive films that form on the surfaces of reactive metals in contact with …
Estimating pitting descriptors of 316 L stainless steel by machine learning and statistical analysis
A hybrid rule-based/ML approach using linear regression and artificial neural networks
(ANNs) determined pitting corrosion descriptors from high-throughput data obtained with …
(ANNs) determined pitting corrosion descriptors from high-throughput data obtained with …
Impact of reversed austenite on the pitting corrosion behavior of super 13Cr martensitic stainless steel
X Lei, Y Feng, J Zhang, A Fu, C Yin, DD Macdonald - Electrochimica Acta, 2016 - Elsevier
Many attempts in the past have been made to introduce the reversed austenite phase into
Super 13Cr martensitic stainless steel, in order to enhance its mechanical performance, but …
Super 13Cr martensitic stainless steel, in order to enhance its mechanical performance, but …
Process-microstructure-corrosion of additively manufactured steels: a review
Among the alloy systems for the fabrication of metallic components using additive
manufacturing (AM), steels as a broad family of alloys attract significant attention owing to …
manufacturing (AM), steels as a broad family of alloys attract significant attention owing to …
Exploration of the effect of chloride ion concentration and temperature on pitting corrosion of carbon steel in saturated Ca (OH) 2 solution
Passivity breakdown on carbon steel, has been studied and the data are interpreted in terms
of the point defect model. An increase in temperature from 25° C to 85° C results in a …
of the point defect model. An increase in temperature from 25° C to 85° C results in a …
A critical review of radiolysis issues in water-cooled fission and fusion reactors: Part I, assessment of radiolysis models
DD Macdonald, GR Engelhardt, A Petrov - Corrosion and Materials …, 2022 - mdpi.com
A critical review is presented on modeling of the radiolysis of the coolant water in nuclear
power reactors with emphasis on ITER. The review is presented in two parts: In Part I, we …
power reactors with emphasis on ITER. The review is presented in two parts: In Part I, we …
Investigations on the passive and pitting behaviors of 17–4 PH martensitic stainless steel containing Al2O3 inclusions in chlorine environment
The passive and pitting behaviors of 17–4 PH martensitic stainless steel containing Al 2 O 3
inclusions in chlorine environment were investigated. The electrochemical behavior was …
inclusions in chlorine environment were investigated. The electrochemical behavior was …
Some personal adventures in passivity—A review of the point defect model for film growth
DD Macdonald - Russian Journal of Electrochemistry, 2012 - Springer
A review is presented of the history of the development of the Point Defect Model (PDM) for
the growth and breakdown of passive films that form on the surfaces of reactive metals in …
the growth and breakdown of passive films that form on the surfaces of reactive metals in …
Role of zirconium conversion coating in corrosion performance of aluminum alloys: An integrated first-principles and multiphysics modeling approach
A Samaei, S Chaudhuri - Electrochimica Acta, 2022 - Elsevier
A variety of chromate-free conversion coatings are being actively investigated to improve the
corrosion performance of light-weight alloys for aerospace and defense applications …
corrosion performance of light-weight alloys for aerospace and defense applications …