TY  - JOUR
ID  - SisLab3795
UR  - https://irjet.net/archives/V6/i6/IRJET-V6I6614.pdf
IS  - 6
A1  - Hoang, Nam Nhat
Y1  - 2019/06/01/
N2  - We report on the compressibility of a pseudo-cubic P1 lattice of atomic hydrogen from 0 up to 3000 GPa by modeling the lattice under hydraulic stress using the Density Functional Theory (DFT). The lattice compression does not fit well to the known Murnaghan's equation  and shows sharp increase near 2500 GPa. On the other hand, the bulk modulus shows anomalous behavior in the vicinity of 280 GPa. We also obtain the values of ground state energy and enthalpy for pressure up to 2500 GPa, above this pressure the convergence fails as the H-H distance approaches the bonding length in H2.
PB  - IR JET
JF  - IR JET
VL  - 6
SN  - 2395-0072
TI  - Compressibility of a periodic lattice of atomic hydrogen
SP  - 3023
AV  - public
EP  - 3024
ER  -