37 citations · 152 across the 9 of their papers we have counts for
9 papers
Accelerated Design of Mechanically Hard Magnetically Soft High-entropy Alloys via Multi-objective Bayesian Optimization
Mian Dai, Yixuan Zhang, Weijia He +7
Designing high-entropy alloys (HEAs) that are both mechanically hard and possess soft magnetic properties is inherently challenging, as a trade-off is needed for mechanical and mag…
High-throughput design of all-d-metal Heusler alloys for magnetocaloric applications
Nuno M. Fortunato, Xiaoqing Li, Stephan Schönecker +6
Due to their versatile composition and customizable properties, ABC Heusler alloys have found applications in magnetic refrigeration, magnetic shape memory effects, permanent m…
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…
Superconductivity of Bi-III phase of elemental Bismuth: insights from Muon-Spin Rotation and Density Functional Theory
Rustem Khasanov, Hubertus Luetkens, Elvezio Morenzoni +5
Using muon-spin rotation the pressure-induced superconductivity in the Bi-III phase of elemental Bismuth (transition temperature K) was investigated. The Ginz…
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…
Metastable cubic and tetragonal phases of transition metals predicted by density-functional theory
Stephan Schönecker, Xiaoqing Li, Klaus Koepernik +3
By means of density-functional calculations, we systematically investigated 24 transition metals for possible metastable phases in body-centered tetragonal structure (bct), includi…