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cond-mat.mtrl-sci2018
Understanding the mechanical properties of reduced activation steels
Xiaojie Li, Xiaoqing Li, Stephan Schönecker +3
Reduced activation ferritic/martensitic (RAFM) steels are structural materials with potential application in Generation-IV fission and fusion reactors. We use density-functional th…
cond-mat.mtrl-sci2015★ 29 cited
Ab initio prediction of the mechanical properties of alloys: The case of Ni/Mn-doped ferromagnetic Fe
Guisheng Wang, Stephan Schönecker, Staffan Hertzman +4
First-principles alloy theory, formulated within the exact muffin-tin orbitals method in combination with the coherent-potential approximation, is used to study the mechanical prop…