Exploring N-rich phases in LixNy clusters for hydrogen storage at nano-scale

We have performed cascade genetic algorithm and ab initio atomistic thermodynamics under the framework of first-principles density functional theory to study the (meta-)stability of a wide range of LixNy clusters. We found that hybrid xc-functional is essential to address this problem as a local/semi-local functional simply fails even to predict a qualitative prediction. Most importantly, we find that though in bulk Lithium Nitride, Li rich phase, i.e. Li3N, is the stable stoichiometry, in small LixNy clusters N-rich phases are more stable at thermodynamic equilibrium. We further show a that these N-rich clusters are promising hydrogen storage material because of their easy adsorption and desorption ability at respectively low (< 300K) and moderately high temperature (> 600K).Comment: 5 pages, 4 figure

Numerical Studies on Time Resolution of Micro-Pattern Gaseous Detectors

The Micro-Pattern Gaseous Detectors offer excellent spatial and temporal resolution in harsh radiation environments of high-luminosity colliders. In this work, an attempt has been made to establish an algorithm for estimating the time resolution of different MPGDs. It has been estimated numerically on the basis of two aspects, statistics and distribution of primary electrons and their diffusion in gas medium, while ignoring their multiplication. The effect of detector design parameters, field configuration and the composition of gas mixture on the resolution have also been investigated. Finally, a modification in the numerical approach considering the threshold limit of detecting the signal has been done and tested for the RPC detector for its future implementation in case of MPGDs