the mechanical properties including elastic stiffness constants as well as bulk modulus of palladium (pd) nanowire were calculated in the constant temperature and pressure (npt), ensemble by molecular dynamics (md) simulation technique. the quantum sutton-chen (q-sc) many-body potential was used to calculate the cohesive energy as well as forces experience by every atoms. the temperature and pr...

First-principles calculations are performed to obtain the dielectric function and loss spectra of bulk PdH(x). Hydrogen concentrations between x = 0 and 1 are considered. The calculated spectra are dominated by a broad peak that redshifts in energy with x. The obtained bulk dielectric function is employed to compute the loss spectra of PdH(x) spherical nanoparticles as a function of x. The domi...

Underground salt caverns are widely used in large-scale energy storage, such as natural gas, compressed air, oil, and hydrogen. In order to quickly build gas reserves, an unusual building method was established. The involves using the existing left over from solution mining of storages. 2007, it first applied Jintan Natural Gas Storage China. Based on this successful project, several were scree...