journal article·2013-03

Reply to comments on the paper “On the nature of inhibition performance of imidazole on iron surface” by J.O. Mendes, E.C. da Silva, A.B. Rocha

Juliana O. Mendes, Alexandre B. Rocha

Corrosion Science· Volume 68
Publisher page

Abstract

Abstract In, we present counter-arguments to the statements done on Kokalj’s comment to our previous paper. Particularly, we present the reasons why our results differ from his. The difference emerges on the treatment of magnetization. While Kokalj allows for self consistent adjustment of magnetization, we constrained value in our calculation to be close to that of the bulk. We argue in what follows the reasons for doing this and why we believe this is the most suitable approach to the problem considered.
Source: openaire · Quality: candidate unverified · Source record ↗

Research context

OpenAlex topics: Magnetic Properties and Applications · Magnetic properties of thin films · Microstructure and Mechanical Properties of Steels

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References (4)

Show source-provided references
1. Mendes · Corros. Sci. · 2012 · 57 · 25410.1016/j.corsci.2011.12.011 ↗
2. A. Kokalj, Corros. Sci., 2012, Manuscript No. CORSCI-D-12-01089.
3. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
4. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials10.1088/0953-8984/21/39/395502 ↗