4 papers
AES-Debye: an Accurate, Efficient, and Scalable Engine for Debye Scattering Calculations
Navid Panchi, Sebastian Kuckuk, Markus Wittmann +2
Total scattering models are essential for characterizing the structure and disorder of nanoscale materials. The Debye scattering equation (DSE) provides a rigorous route to elastic…
Entropic Trapping of Hard Spheres in Spherical Confinement
Praveen K. Bommineni, Junwei Wang, Nicolas Vogel +1
Monodisperse spherical colloidal particles confined within emulsion droplets can crystallize into icosahedral clusters. Experimentally it was observed that a few large colloidal pa…
Geometric Frustration Directs the Self-Assembly of Nanoparticles with Crystallized Ligand Bundles
Federico Tomazic, Aswathy Muttathukattil, Afshin Nabiyan +2
Polymer-grafted nanoparticles are versatile building blocks that self-assemble into a rich diversity of mesostructures. Coarse-grained molecular simulations have commonly accompani…
Breakdown of Magic Numbers in Spherical Confinement
Junwei Wang, Jonathan MartÃn-González, Lukas Römling +6
Magic numbers in finite particle systems correspond to specific system sizes that allow configurations with low free energy, often exhibiting closed surface shells to maximize the…