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K. Q. Lu

Publications and source records attributed to K. Q. Lu.

2 recordsLinked to original sources

Global study of beyond-mean-field correlation energies in covariant energy density functional theory using a collective Hamiltonian method

We report the first global study of dynamic correlation energies (DCEs) associated with rotational motion and quadrupole shape vibrational motion in a covariant energy density functional (CEDF) for 575 even-even nuclei with proton numbers ranging from $Z=8$ to $Z=108$ by solving a five-dimensional collective Hamiltonian, the collective parameters of which are determined from triaxial relativistic mean-field plus BCS calculation using the PC-PK1 force. After taking into account these beyond mean-field DCEs, the root-mean-square (rms) deviation with respect to nuclear masses is reduced significantly down to 1.14 MeV, which is smaller than those of other successful CEDFs: NL3* (2.96 MeV), DD-ME2 (2.39 MeV), DD-ME$δ$ (2.29 MeV) and DD-PC1 (2.01 MeV). Moreover, the rms deviation for two-nucleon separation energies is reduced by $\sim34\%$ in comparison with cranking prescription.

nucl-th

Melting of superheated crystals initiates on vacancies

In a large variety of ideal crystals we found that when rapidly migrating atoms squash or annihilate a neighbouring vacancy and produce a disordered cluster, the heat of migration stored in the system exceeds the enthalpy increase required for the coordinating atoms of the vacancy to form a liquid phase, i.e. the liquid phase nucleates from vacancies. Furthermore volumetric analysis supports this well. This vacancy-decomposition model provides quantitative information on the melting point, the latent heat and the volume change upon melting and hence clarifies the mechanism of melting.

cond-mat.mtrl-sci