Million-atom molecular dynamics simulations of magnetic iron
Graph Chatbot
Chat with Graph Search
Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.
DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.
We have studied the evolution of the magnetic properties of monolayer-high cobalt islands on a Pt(111) surface as function of their exposure to oxygen. We observe a sequential quenching of magnetic anisotropy and magnetic moment. For minute exposures to ox ...
Using a density functional approach, we study structural and magnetic properties of small Fe-n clusters (nless than or equal to8) deposited on a MgO(100) substrate. Upon deposition, the clusters closely preserve their gas-phase structure. The magnetic mome ...
Understanding radiation-induced defect formation in carbon materials is crucial for nuclear technology and for the manufacturing of nanostructures with desired properties. Using first-principles molecular dynamics, we perform a systematic study of the none ...
yWe develop a semi-empirical many-body interatomic potential suitable for large scale molecular dynamics simulations of magnetic a-iron. The functional form of the embedding part of the potential is derived using a combination of the Stoner and the Ginzbur ...
We have carried out an ab initio molecular dynamics simulation of liquid oxygen, a molecular fluid in which the individual 02 units carry a molecular magnetic moment. In addition to the atomic and electronic structures, our simulation describes the evoluti ...
We present an ab initio study of the magnetic surface reconstructions of the B2 FeV alloy using a self-consistent tight-binding linearized muffin tin orbital method developed in the atomic spheres approximation. For (001) and (111), the surface reconstruct ...