3 papers
cond-mat.mtrl-sci2026
Microscopic origin of polytype-dependent melting in SiC revealed by machine-learning molecular dynamics
Ljiljana StojanoviÄ, Samuel J. Magorrian, Lara Kabalan +3
Predicting how crystal structure influences high-temperature stability remains a key challenge in materials modelling and design. Silicon carbide (SiC), one of the most thermally a…
cond-mat.mtrl-sci2025
Computational tuning of the elastic properties of low- and high-entropy ultra-high temperature ceramics
Samuel J. Magorrian, Ljiljana StojanoviÄ, Lara Kabalan +4
Ultra-high temperature ceramics (UHTCs) represent a class of crystalline materials for extreme environments. They can withstand extremely high temperatures but are mechanically dif…
cond-mat.mtrl-sci2025
Electronic structure of the interface between Au and WSe2
Laxman Nagireddy, Samuel J. Magorrian, Matthew D. Watson +5
Understanding the interface between metals and two-dimensional materials is critical for their application in electronics and for the development of metal-mediated exfoliation of l…