This study uses machine learning to predict the convergence results of the Duffing equation with and without damping. The Duffing equation represents a nonlinear second-order differential equation with interesting behavior in undamped free vibration and forced vibration with damping. Convergence alternates randomly between 1 and -1 in undamped free vibration, depending on initial conditions. For forced vibration with damping, multiple factors influence vibration patterns. We utilize the fourth-order Runge-Kutta method to collect convergence results for both conditions. Machine learning techniques, specifically the long short term memory (LSTM) and LSTM-Neural Network (LSTM-NN) method, are employed to predict these convergence values. The LSTM-NN model is a hybrid approach that combines the LSTM method with the addition of hidden layers of neurons. Both the LSTM and LSTM-NN models are thoroughly explored and analyzed in this research. The research process involves three stages: data preprocessing, training, and verification. The results show that the LSTM-NN model becomes more adept at predicting binary datasets, boasting an impressive accuracy of up to 98%. However, when it comes to predicting multiple solutions, the traditional LSTM method outperforms the LSTM-NN approach.

It is always a difficult task to assign the peaks recorded from vibrational spectrum. Herein we explored a new pathway of density functional theory (DFT) simulation to present three kinds of spectra of ice XIV and can be referenced as inelastic neutron scattering (INS), IR, and Raman experimental spectrum. The INS spectrum is proportional to phonon density of states (PDOS) while the photon scattering signals reflect the normal vibration frequencies near the Brillouin zone (BZ) center. Based on good agreements with experimental data, we identified the relative frequency and made scientific assignments by normal vibration modes analysis. The debating two hydrogen bond (H-bond) peaks among ice phases from INS have been discussed and the dynamic process of H-bond vibrations were found to be classified into two basic modes. we deduce that two H-bond modes are a general rule among ice family and more works are ongoing to investigate this subject.

A typical vibrational spectrum in the ice phase has four separate bands: translation, libration, bending and stretching. Ice X, the final ice phase under high pressure, shows an exotic vibrational spectrum. Theoretically, an ideal crystal of ice X only has one peak at 998 cm-1 for Raman scattering and two peaks at 450 cm-1 and 1507 cm-1 for infrared absorption in this work. These three characteristic peaks are indicators of the phase transition between ice VII/VIII and ice X. Despite much experimental and theoretical work on ice X, only this study has clearly indicated these characteristic peaks in the region of the IR band. The phonon density of states shows quite different features than ice VIII, which could be verified by inelastic neutron scattering in the future. The dynamic processes of 15 vibrational normal modes are discussed and the typical hydrogen bonds are missing.