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August 2015
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A systematic study of lanthanide titanates (A2Ti2O7) chemical durability: corrosion mechanisms and control parameters
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Coupled dissolution and precipitation at mineral–fluid interfaces
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Mechanism of hydrothermal alteration of natural self-irradiated and synthetic crystalline titanate-based pyrochlore
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Perovskite-Derived Cs 2 SnCl 6 –Silica Composites as Advanced Waste Forms for Chloride Salt Wastes
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Progress in the understanding of the long-term corrosion behaviour of copper canisters
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Review of corrosion studies of metallic barrier in geological disposal conditions with respect to Belgian Supercontainer concept
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Review of Passive Corrosion Studies of Carbon Steel in Concrete in the Context of Disposal of HLW and Spent Fuel in Belgium
Kursten, B.; Druyts, F.; Smart, N. R.
ASME 2013 15th International Conference on Environmental Remediation and Radioactive Waste Management, Volume 1: Low/Intermediate-Level Radioactive Waste Management; Spent Fuel, Fissile Material, Transuranic and High-Level Radioactive Waste Management
https://doi.org/10.1115/ICEM2013-96275
conference
February 2014
A Review of Corrosion of Titanium Grade 7 and Other Titanium Alloys in Nuclear Waste Repository Environments
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Assessing the Corrosion Performance of High-Level Nuclear Waste Containers
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Effect of Alloying Elements and Residuals on Corrosion Resistance of Type 444 Stainless Steel
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Clarifying the Applicability of PREN Equations: A Short Focused Review
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Integrated computational materials engineering: A new paradigm for the global materials profession
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Integrated computational materials engineering of corrosion resistant alloys
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Perspective—Localized Corrosion: Passive Film Breakdown vs Pit Growth Stability
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DFT investigation of 2-mercaptobenzothiazole adsorption on model oxidized copper surfaces and relationship with corrosion inhibition
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DFT Study of Azole Corrosion Inhibitors on Cu2O Model of Oxidized Copper Surfaces: I. Molecule–Surface and Cl–Surface Bonding
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Simplistic correlations between molecular electronic properties and inhibition efficiencies: Do they really exist?
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Conceptual DFT Descriptors of Amino Acids with Potential Corrosion Inhibition Properties Calculated with the Latest Minnesota Density Functionals
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Anticorrosive Effects of Some Thiophene Derivatives Against the Corrosion of Iron: A Computational Study
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Theoretical evaluation of some benzotriazole and phospono derivatives as aluminum corrosion inhibitors: DFT and molecular dynamics simulation approaches
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Modeling Corrosion with First-Principles Electrochemical Phase Diagrams
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Understanding Electrochemical Stabilities of Ni-Based Nanofilms from a Comparative Theory–Experiment Approach
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First-Principles Investigation of the Fundamental Corrosion Properties of a Model Cu[sub 38] Nanoparticle and the (111), (113) Surfaces
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Nanoscale electrochemical visualization of grain-dependent anodic iron dissolution from low carbon steel
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February 2020
First-principles modeling of anisotropic anodic dissolution of metals and alloys in corrosive environments
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First-Principles Molecular Dynamics at a Constant Electrode Potential
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Alignment of electronic energy levels at electrochemical interfaces
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Elucidation of the Electrochemical Activation of Water over Pd by First Principles
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Ab initio simulation of charged slabs at constant chemical potential
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July 2001
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
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First-principles calculations of charged surfaces and interfaces: A plane-wave nonrepeated slab approach
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Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode
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First principles reaction modeling of the electrochemical interface: Consideration and calculation of a tunable surface potential from atomic and electronic structure
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First-Principles Approach to Model Electrochemical Reactions: Understanding the Fundamental Mechanisms behind Mg Corrosion
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First-Principle Calculation of Volta Potential of Intermetallic Particles in Aluminum Alloys and Practical Implications
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A DFT-Study of Cl Ingress into α-Al 2 O 3 (0001) and Al(111) and Its Possible Influence on Localized Corrosion of Al
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January 2019
Density-functional theory investigation of Al pitting corrosion in electrolyte containing chloride ions
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Volta Potential Evolution of Intermetallics in Aluminum Alloy Microstructure Under Thin Aqueous Adlayers: A combined DFT and Experimental Study
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Electrochemical Characteristics of Intermetallic Phases in Aluminum Alloys
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Characterization of AA2024‐T3 by Scanning Kelvin Probe Force Microscopy
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Corrosion Study of AA2024‐T3 by Scanning Kelvin Probe Force Microscopy and In Situ Atomic Force Microscopy Scratching
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Relation between Surface Composition and Electronic Properties of Native Oxide Films on an Aluminium-Copper Alloy Studied by DFT
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Microstructural development in equiatomic multicomponent alloys
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Nanostructured High-Entropy Alloys with Multiple Principal Elements: Novel Alloy Design Concepts and Outcomes
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Controlling the corrosion resistance of multi-principal element alloys
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Critical Potentials for Pitting Corrosion of Ni, Cr-Ni, Cr-Fe, and Related Stainless Steels
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The dissolution and passivation kinetics of stainless alloys containing molybdenum—II. Dissolution kinetics in artificial pits
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Computational materials design of a corrosion resistant high entropy alloy for harsh environments
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Localized Corrosion: Passive Film Breakdown vs Pit Growth Stability: Part V. Validation of a New Framework for Pit Growth Stability Using One-Dimensional Artificial Pit Electrodes
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Potential-pH diagrams considering complex oxide solution phases for understanding aqueous corrosion of multi-principal element alloys
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Solute Capture and Doping of Al in Cu 2 O: Corrosion, Tarnish Resistance, and Cation Release of High-Purity Cu-Al Alloys in Artificial Perspiration
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Initial atomic-scale oxidation pathways on a Ni–15Cr(100) alloy surface
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Passivation of a corrosion resistant high entropy alloy in non-oxidizing sulfate solutions
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February 2019
Electrochemical metrics for corrosion resistant alloys
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The Passivation of Ni-Cr-Mo Alloys: Time Resolved Enrichment and Dissolution of Cr and Mo during Passive-Active Cycles
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In Operando Analysis of Passive Film Growth on Ni-Cr and Ni-Cr-Mo Alloys in Chloride Solutions
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January 2019
Nonequilibrium Solute Capture in Passivating Oxide Films
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A more general method for ranking the enrichment of alloying elements in passivation films
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Computational design and initial corrosion assessment of a series of non-equimolar high entropy alloys
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Localized Corrosion Behavior of Non-Equiatomic NiFeCrMnCo Multi-Principal Element Alloys
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Aqueous passivation of multi-principal element alloy Ni38Fe20Cr22Mn10Co10: Unexpected high Cr enrichment within the passive film
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Localized corrosion of low-carbon steel at the nanoscale
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April 2019
Investigating local oxidation processes in Fe thin films in a water vapor environment by in situ liquid cell TEM
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In-situ nanoscopic observations of dealloying-driven local corrosion from surface initiation to in-depth propagation
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Local Dissolution Phenomena Associated with S Phase ( Al2CuMg ) Particles in Aluminum Alloy 2024‐T3
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Localized Corrosion: Passive Film Breakdown vs. Pit Growth Stability: Part IV. The Role of Salt Film in Pit Growth: A Mathematical Framework
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Localized Corrosion: Passive Film Breakdown vs. Pit Growth Stability: Part III. A Unifying Set of Principal Parameters and Criteria for Pit Stabilization and Salt Film Formation
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Quantifying Alloy 625 Crevice Corrosion using an Image Differencing Technique: Part II. A Diffusive Transport Model of Crevice Cation Concentration using Surface Current Density
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Quantifying Alloy 625 Crevice Corrosion Using an Image Differencing Technique: Part I. Initiation and Propagation
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Quantifying Alloy 625 Crevice Corrosion Using an Image Differencing Technique: Part III. The Transition from Diffusion to Activation Control and the Implications for the Measured Electrochemical Potentials
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On some fundamental factors in the effect of alloying elements on passivation of alloys
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Bond-order bond energy model for alloys
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Bond Synergy Model for Bond Energies in Alloy Oxides
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First-Principles Modeling of the Repassivation of Corrosion Resistant Alloys: Part II. Surface Adsorption Isotherms for Alloys and the Chloride Susceptibility Index
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Application of the Chloride Susceptibility Index to Study the Effects of Ni, Cr, Mn and Mo on the Repassivation of Stainless Steels
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DFT-Based Calculation of Dissolution Activation Energy and Kinetics of Ni–Cr Alloys
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