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Ab Initio Simulation Beryllium in Solid Molecular Hydrogen: Elastic Constant

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, , Citation Carlo L Guerrero and Jose M Perlado 2016 J. Phys.: Conf. Ser. 688 012022 DOI 10.1088/1742-6596/688/1/012022

1742-6596/688/1/012022

Abstract

In systems of inertial confinement fusion targets Deuterium-Tritium are manufactured with a solid layer, it must have specific properties to increase the efficiency of ignition. Currently there have been some proposals to model the phases of hydrogen isotopes and hence their high pressure, but these works do not allow explaining some of the structures present at the solid phase change effect of increased pressure. By means of simulation with first principles methods and Quantum Molecular Dynamics, we compare the structural difference of solid molecular hydrogen pure and solid molecular hydrogen with beryllium, watching beryllium inclusion in solid hydrogen matrix, we obtain several differences in mechanical properties, in particular elastic constants. For C11 the difference between hydrogen and hydrogen with beryllium is 37.56%. This may produce a non-uniform initial compression and decreased efficiency of ignition.

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10.1088/1742-6596/688/1/012022