Outer Valence Photoionization and Autoionization of Formaldehyde.

We investigate photoionization from the ground electronic state of the formaldehyde molecule. Both partial cross sections and asymmetry parameters leading to the , , , and states of HCO ions are studied in the photon region of 10-90 eV using a multichannel -matrix method, which uses the configuration interaction (CI) to describe electronic correlation. We check the sensitivity of the results to change descriptions of the continuum, the different partial waves, and the active spaces in the theoretical model.

Effects of Annealing on the Residual Stress in γ-TiAl Alloy by Molecular Dynamics Simulation.

In this paper, molecular dynamics simulations are performed to study the annealing process of γ-TiAl alloy with different parameters after introducing residual stress into prepressing. By mainly focusing on the dynamic evolution process of microdefects during annealing and the distribution of residual stress, the relationship between microstructure and residual stress is investigated. The results show that there is no phase transition during annealing, but atom distortion occurs with the change of temperature, and the average grain size slightly increases after annealing.