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cond-mat.mtrl-sci2020
Multi-scale modeling of the effects of temperature, radiation flux and sink strength on point-defect and solute redistribution in dilute Fe-based alloys
Liangzhao Huang, Maylise Nastar, Thomas Schuler +1
In this work, we investigate the radiation-induced segregation (RIS) resulting from the coupling between the atomic and point defect (PD) fluxes towards the structural defects of t…
cond-mat.mtrl-sci2019
Atomic scale modeling of the thermodynamic and kinetic properties of dilute alloys driven by forced atomic relocations
Liangzhao Huang, Thomas Schuler, Maylise Nastar
Sustained external forces acting on a material provide additional mechanisms to evolve the state of the system, and these mechanisms do not necessarily obey the microscopic detaile…
cond-mat.mtrl-sci2019
Ab Initio Investigation Of Phosphorus And Hydrogen Co-segregation And Embrittlement In α-fe Twin Boundaries
Thomas Schuler, Frédéric Christien, Patrick Ganster +1
We propose a new statistical physics model to study equilibrium solute segregation at grain boundaries and the resulting embrittlement effect. This low-temperature expansion model…