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Recent Advances in Corrosion Science Applicable To Disposal of High-Level Nuclear Waste

Journal Article · · Chemical Reviews
 [1];  [2];  [3];  [1];  [4];  [5];  [6];  [6];  [2];  [7];  [8];  [1];  [9]
  1. Ohio State University
  2. BATTELLE (PACIFIC NW LAB)
  3. Rensselaer Polytechnic Institute
  4. CEA Marcoule
  5. PENNSYLVANIA STATE UNIVERSITY
  6. University of North Texas
  7. Louisiana State University
  8. OHIO UNIVERSITY
  9. University of Virginia

High level radioactive waste is accumulating at temporary storage locations around the world and will eventually be placed in deep geological repositories. Many different types of geological formation are under consideration, but all will eventually allow water to contact the metallic waste containers considering that the period of performance required to allow sufficient decay of dangerous radionuclides is on the order of 105 – 106 years. Corrosion of the containers and waste forms in the aqueous repository environment is therefore a concern. This review describes the recent advances of the field of materials corrosion based on the work of the Center for Performance and Design of Nuclear Waste Forms and Containers (WastePD) to address the issues associated with the long-term performance assessment and the design of materials with improved performance, where performance is defined as resistance to aqueous corrosion. Glass, crystalline ceramics, and metals are discussed separately, and then the near field interactions of these different materials classes are addressed. Recommendations for future directions are provided.

Research Organization:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC05-76RL01830
OSTI ID:
1842579
Report Number(s):
PNNL-SA-155913
Journal Information:
Chemical Reviews, Vol. 121, Issue 20
Country of Publication:
United States
Language:
English

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Clarifying the Applicability of PREN Equations: A Short Focused Review journal December 2020
Integrated computational materials engineering: A perspective on progress and future steps journal April 2011
Integrated computational materials engineering: A new paradigm for the global materials profession journal November 2006
Integrated computational materials engineering of corrosion resistant alloys journal February 2018
Perspective—Localized Corrosion: Passive Film Breakdown vs Pit Growth Stability journal January 2017
Adsorption of 2-mercaptobenzimidazole Corrosion Inhibitor on Copper: DFT Study on Model Oxidized Interfaces journal December 2020
DFT investigation of 2-mercaptobenzothiazole adsorption on model oxidized copper surfaces and relationship with corrosion inhibition journal January 2021
DFT Study of Azole Corrosion Inhibitors on Cu2O Model of Oxidized Copper Surfaces: I. Molecule–Surface and Cl–Surface Bonding journal May 2018
Simplistic correlations between molecular electronic properties and inhibition efficiencies: Do they really exist? journal February 2021
Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview journal October 2015
Conceptual DFT Descriptors of Amino Acids with Potential Corrosion Inhibition Properties Calculated with the Latest Minnesota Density Functionals journal March 2017
Anticorrosive Effects of Some Thiophene Derivatives Against the Corrosion of Iron: A Computational Study journal May 2018
Theoretical evaluation of some benzotriazole and phospono derivatives as aluminum corrosion inhibitors: DFT and molecular dynamics simulation approaches journal January 2016
Modeling Corrosion with First-Principles Electrochemical Phase Diagrams journal July 2019
Understanding Electrochemical Stabilities of Ni-Based Nanofilms from a Comparative Theory–Experiment Approach journal October 2019
First-Principles Investigation of the Fundamental Corrosion Properties of a Model Cu[sub 38] Nanoparticle and the (111), (113) Surfaces journal January 2008
Nanoscale electrochemical visualization of grain-dependent anodic iron dissolution from low carbon steel journal February 2020
First-principles modeling of anisotropic anodic dissolution of metals and alloys in corrosive environments journal May 2017
First-Principles Molecular Dynamics at a Constant Electrode Potential journal December 2012
Alignment of electronic energy levels at electrochemical interfaces journal January 2012
Elucidation of the Electrochemical Activation of Water over Pd by First Principles journal January 2006
Ab initio simulation of charged slabs at constant chemical potential journal July 2001
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode journal November 2004
First-principles calculations of charged surfaces and interfaces: A plane-wave nonrepeated slab approach journal March 2006
Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode journal January 2007
First principles reaction modeling of the electrochemical interface: Consideration and calculation of a tunable surface potential from atomic and electronic structure journal April 2006
First-Principles Approach to Model Electrochemical Reactions: Understanding the Fundamental Mechanisms behind Mg Corrosion journal June 2018
First-Principle Calculation of Volta Potential of Intermetallic Particles in Aluminum Alloys and Practical Implications journal January 2017
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 journal January 2019
Density-functional theory investigation of Al pitting corrosion in electrolyte containing chloride ions journal December 2015
Volta Potential Evolution of Intermetallics in Aluminum Alloy Microstructure Under Thin Aqueous Adlayers: A combined DFT and Experimental Study journal April 2018
Electrochemical Characteristics of Intermetallic Phases in Aluminum Alloys journal January 2005
Characterization of AA2024‐T3 by Scanning Kelvin Probe Force Microscopy journal July 1998
Corrosion Study of AA2024‐T3 by Scanning Kelvin Probe Force Microscopy and In Situ Atomic Force Microscopy Scratching journal July 1998
Relation between Surface Composition and Electronic Properties of Native Oxide Films on an Aluminium-Copper Alloy Studied by DFT journal November 2020
Microstructural development in equiatomic multicomponent alloys journal July 2004
Nanostructured High-Entropy Alloys with Multiple Principal Elements: Novel Alloy Design Concepts and Outcomes journal May 2004
Controlling the corrosion resistance of multi-principal element alloys journal November 2020
Critical Potentials for Pitting Corrosion of Ni, Cr-Ni, Cr-Fe, and Related Stainless Steels journal January 1968
The dissolution and passivation kinetics of stainless alloys containing molybdenum—II. Dissolution kinetics in artificial pits journal January 1985
Computational materials design of a corrosion resistant high entropy alloy for harsh environments journal August 2018
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 journal January 2019
Potential-pH diagrams considering complex oxide solution phases for understanding aqueous corrosion of multi-principal element alloys journal November 2020
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 journal January 2018
Initial atomic-scale oxidation pathways on a Ni–15Cr(100) alloy surface journal April 2021
Passivation of a corrosion resistant high entropy alloy in non-oxidizing sulfate solutions journal February 2019
Electrochemical metrics for corrosion resistant alloys journal February 2021
The Passivation of Ni-Cr-Mo Alloys: Time Resolved Enrichment and Dissolution of Cr and Mo during Passive-Active Cycles journal January 2019
In Operando Analysis of Passive Film Growth on Ni-Cr and Ni-Cr-Mo Alloys in Chloride Solutions journal January 2019
Nonequilibrium Solute Capture in Passivating Oxide Films journal October 2018
A more general method for ranking the enrichment of alloying elements in passivation films journal March 2004
Computational design and initial corrosion assessment of a series of non-equimolar high entropy alloys journal November 2019
Localized Corrosion Behavior of Non-Equiatomic NiFeCrMnCo Multi-Principal Element Alloys journal September 2020
Aqueous passivation of multi-principal element alloy Ni38Fe20Cr22Mn10Co10: Unexpected high Cr enrichment within the passive film journal October 2020
Localized corrosion of low-carbon steel at the nanoscale journal April 2019
Investigating local oxidation processes in Fe thin films in a water vapor environment by in situ liquid cell TEM journal February 2020
In-situ nanoscopic observations of dealloying-driven local corrosion from surface initiation to in-depth propagation journal December 2020
Local Dissolution Phenomena Associated with S Phase  ( Al2CuMg )  Particles in Aluminum Alloy 2024‐T3 journal August 1997
Localized Corrosion: Passive Film Breakdown vs. Pit Growth Stability: Part IV. The Role of Salt Film in Pit Growth: A Mathematical Framework journal January 2019
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 journal January 2018
Quantifying Alloy 625 Crevice Corrosion using an Image Differencing Technique: Part II. A Diffusive Transport Model of Crevice Cation Concentration using Surface Current Density journal October 2020
Quantifying Alloy 625 Crevice Corrosion Using an Image Differencing Technique: Part I. Initiation and Propagation journal February 2020
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 journal February 2021
On some fundamental factors in the effect of alloying elements on passivation of alloys journal December 1994
Bond-order bond energy model for alloys journal October 2019
Bond Synergy Model for Bond Energies in Alloy Oxides journal November 2020
First-Principles Modeling of the Repassivation of Corrosion Resistant Alloys: Part II. Surface Adsorption Isotherms for Alloys and the Chloride Susceptibility Index journal July 2020
Application of the Chloride Susceptibility Index to Study the Effects of Ni, Cr, Mn and Mo on the Repassivation of Stainless Steels journal October 2020
DFT-Based Calculation of Dissolution Activation Energy and Kinetics of Ni–Cr Alloys journal October 2020