5 papers
Vitriflow: calibrated amorphous structure ensembles from melt-quench simulation
Jonathon Cottom, Robin Delhomme, Emilia Olsson
Melt--quench molecular dynamics is widely used to construct amorphous materials models, but the resulting ensemble is defined by choices that are often made implicitly: numerical s…
Constraint residuals, graph posteriors, and determinant-corrected full-space targets in Bayesian inverse problems
Jonathon Cottom, Emilia Olsson
Bayesian inverse problems constrained by state equations are often sampled in a full parameter-state space by penalising the residual, rather than in a reduced space where the stat…
Topology-Directed Silicide Formation: An Explanation for the Growth of C49-TiSi on the Si(100) Surface
Lukas Hückmann, Lukas Hückmann, Jonathon Cottom +3
Designing metal-semiconductor junctions is essential for optimizing the performance of modern nanoelectronic devices. A widely used material is TiSi, which combines low electro…
Adhesion Control through Electric Field-Induced Water Adsorption at Oxidized Silicon Interfaces
Tunç Ãiftçi, Jonathon Cottom, Rachid Hahury +2
Adhesion plays a pivotal role in computer chip manufacturing, directly affecting the precision and durability of positioning components such as wafer stages. Electrical biasing is…
Elucidating the impact of point defects on the structural, electronic, and mechanical behaviour of chromium nitride
Barsha Bhattacharjee, Emilia Olsson
Defect engineering offers an important route to property tuning of nanostructured coatings for advanced applications. Transition metal nitrides, such as CrN, are widely used for th…