Ethane under pressure revisited using x-ray diffraction, Raman spectroscopy, infrared absorption, and ab initio calculations up to 150 GPa.

Ethane (C2H6) is anticipated to be the most stable compound within the carbon-hydrogen system under the 100 GPa pressure range. Nevertheless, the properties of ethane under pressure are still poorly documented. Here, we present a comprehensive study of the structural and vibrational properties of C2H6 in a diamond anvil cell at pressures up to 150 GPa.

Ab Initio Phase Diagram of Gold in Extreme Conditions.

A phase diagram of gold is proposed in the [0; 1000] GPa and [0; 10 000] K ranges of pressure and temperature, respectively, topologically modified with respect to previous predictions. Using finite-temperature ab initio simulations and nonequilibirum thermodynamic integration, both accelerated by machine learning, we evaluate the Gibbs free energies of three solid phases previously proposed. At room temperature, the face-centered cubic (fcc) phase is stable up to ∼500  GPa whereas the body-centered cubic (bcc) phase only appears above 1 TPa.

Machine learning accelerated random structure searching: Application to yttrium superhydrides.

The search for new superhydrides, promising materials for both hydrogen storage and high temperature superconductivity, made great progress, thanks to atomistic simulations and Crystal Structure Prediction (CSP) algorithms. When they are combined with Density Functional Theory (DFT), these methods are highly reliable and often match a great part of the experimental results. However, systems of increasing complexity (number of atoms and chemical species) become rapidly challenging as the number of minima to explore grows exponentially with the number of degrees of freedom in the simulation cell.

High pressure polymorphism of LiBH and of NaBH.

The pressure-induced structural changes in LiBH and in NaBH have been investigated experimentally up to 290 GPa by coupling Raman spectroscopy, infrared absorption spectroscopy and synchrotron X-ray diffraction. This data set is also analysed in the light of Density Functional Theory calculations performed up to 600 GPa. The [BH] unit appears to be remarkably resistant under pressure.

Remote monitoring of cardiac implanted electronic devices: legal requirements and ethical principles - ESC Regulatory Affairs Committee/EHRA joint task force report.

The European Union (EU) General Data Protection Regulation (GDPR) imposes legal responsibilities concerning the collection and processing of personal information from individuals who live in the EU. It has particular implications for the remote monitoring of cardiac implantable electronic devices (CIEDs). This report from a joint Task Force of the European Heart Rhythm Association and the Regulatory Affairs Committee of the European Society of Cardiology (ESC) recommends a common legal interpretation of the GDPR.