Events archive

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May 17th 2018
Electrolytes respond to contact with a charged solid surface (metal electrode, semiconductor or insulating ionic solids) by formation of an electric double layer. The modelling of electric double layers at an atomistic level remains a major challenge. A well known technical problem is of course how to fit models of electric double layers in the periodic cells commonly used in atomistic simulation. However, there remain even open questions of a more fundamental nature.
May 15th 2018
NOTE: different day and time: Tuesday 10h00  The National Spherical Torus Experiment – Upgrade (NSTX-U), will be one of the highest power-density magnetic fusion experiments when operating at full parameters.  Following a failure in a poloidal field coil, the NSTX-U entered the Recovery Project which is redesigning several key components in order to increase operational reliability.  Among these are the plasma-facing components for both high-heat flux and low-heat flux regions of the machine.  Building on previous design experience with castellated tiles, the new high-heat
April 26th 2018
The combination of a widely tunable infrared laser source with tandem mass spectrometry enables the routine recording of IR spectra of gaseous molecular ions. With the aid of theoretically predicted vibrational spectra, these IR spectra can be used to derive molecular structure information on the ionized species. As an example, the sites of protonation, deprotonation or metal ion attachment in a molecule can be accurately determined using “infrared ion spectroscopy” (IRIS).
April 12th 2018
Potential energy surfaces represent the total energy of a system of nuclei and electrons as a function of the nuclear configuration. These surfaces (and property surfaces, such as the dipole moment) are key tools for quasiclassical trajectory calculations, molecular spectroscopy, quantum scattering and other applications in molecular science.
April 5th 2018
Li-ion transport and local structural changes are vital in current and future batteries, however hard to monitor on a microscopic level under operando conditions. Here I will present our recent progress in the use of operando Neutron Depth Profiling, operando m-beam diffraction and Nuclear Magnetic Resonance investigating Li-ion and solid state batteries.