Multiple Triplet Metal-Centered Jahn-Teller Isomers Determine Temperature-Dependent Luminescence Lifetimes in [Ru(bpy)3]2+

Understanding the factors that determine the luminescence lifetime of transition metal compounds is key for applications in photocatalysis and photodynamic therapy. Here we show that for (bpy = 2,2’-bipyridine), the generally accepted idea that emission lifetimes can be controlled optimizing the energy barrier from the emissive triplet metal-to-ligand charge-transfer (³MLCT) state to the thermally-activated triplet metal-centered (³MC) state or the energy gap between both states is a misconception. Further, we demonstrate that considering a single relaxation pathway determined from the minimum that is lowest in energy leads to wrong temperature-dependent emission lifetimes predictions. Instead, we obtain excellent agreement with experimental temperature-dependent lifetimes when an extended kinetic model that includes all the pathways related to multiple Jahn–Teller isomers and their effective reaction barriers is employed. These concepts are essential to correctly design other luminescent transition metal complexes with tailored emission lifetimes based on theoretical predictions.     

Implementation of Thermomechanical Coupling for Shape Memory Alloys into the Finite Element Method

NiTi alloys open up new fields of application on the basis of their distinctive thermomechanical properties. Many options of practical application of shape memory alloys are imaginable. For example catheters or stents made of NiTi play an important role in medical technology. Thus the further development and optimisation of simulation tools for shape memory alloys (SMA) structures will play an important role in the future. Based on the powerful material model of Helm [1] the present contribution focuses on the coupling between mechanical and thermal fields. (© 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Solid-Shell Finite Elements for Tesselated Geometries

Sandwich structures made of sheets of composite materials are in widespread use, particularly in the transportation industry. Finite Element simulation of the thin, tesselated structures with complex, three-dimensional material behaviour is a challenging task for the underlying element technology. In particular, frequently used linear isoparametric approaches exhibit unphysical stiffening phenomena. Recent developments in solid-shell finite element technology aim to overcome these undesirable effects. Here, they are applied to an example of a corrugated sandwich core under transversal compression. A study of convergence is conducted with respect to commercially available shell and solid finite elements, and their ability to reproduce the bending dominated deformation state. (© 2012 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)