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20112021
most citedMolecular Density Functional Theory of Water

93 citations · 1k across the 33 of their papers we have counts for

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Showing cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2013★ 31 cited

Electronic origin of the anomalous segregation behavior of Cr in Fe-rich Fe-Cr alloys

Maximilien Levesque, Michèle Gupta, Raju P. Gupta

The energy of segregation of Cr from the bulk to the topmost surface layer in dilute Fe-Cr alloys is endothermic but small. On the other hand, the segregation energy from the bulk…

cond-mat.mtrl-sci2013★ 7 cited

Effect of surface hydrogen on the anomalous surface segregation behavior of Cr in Fe-rich Fe-Cr alloys

Michèle Gupta, Raju P. Gupta, Maximilien Levesque

The segregation behavior of Cr in dilute Fe-Cr alloys is known to be anomalous since the main barrier for surface segregation of Cr in these alloys arises not from the topmost surf…

cond-mat.mtrl-sci2013★ 79 cited

Simple concentration-dependent pair interaction model for large-scale simulations of Fe-Cr alloys

Maximilien Levesque, Enrique Martínez, Chu-Chun Fu +2

This work is motivated by the need for large-scale simulations to extract physical information on the iron-chromium system that is a binary model alloy for ferritic steels used or…

cond-mat.mtrl-sci2013★ 16 cited

Anomalous Surface Segregation Profiles in Ferritic FeCr Stainless Steel

Maximilien Levesque

The iron-chromium alloy and its derivatives are widely used for their remarkable resistance to corrosion, which only occurs in a narrow concentration range around 9 to 13 atomic pe…

cond-mat.mtrl-sci2011★ 19 cited

Simulations of decomposition kinetics of Fe-Cr solid solutions during thermal aging

E. Martinez, C. -C. Fu, M. Levesque +2

The decomposition of Fe-Cr solid solutions during thermal aging is modeled by Atomistic Kinetic Monte Carlo (AKMC) simulations, using a rigid lattice approximation with composition…