Search Results (2)

The human-centric and resilient European industry called Industry 5.0 requires a long lifetime of machines to reduce electronic waste. The appropriate way to handle this problem is to apply a diagnostic system capable of remotely detecting, isolating, and identifying faults. The authors present usage of HTTP/1.1 protocol for batch processing as a fault diagnosis server. Data are sent by microcontroller HTTP client in JSON format to the diagnosis server. Moreover, the MQTT protocol was used for stream (micro batch) processing from microcontroller client to two fault diagnosis clients. The first fault diagnosis MQTT client uses only frequency data for evaluation. The authors’ enhancement to standard fast Fourier transform (FFT) was their usage of sliding discrete Fourier transform (rSDFT, mSDFT, gSDFT, and oSDFT) which allows recursively updating the spectrum based on a new sample in the time domain and previous results in the frequency domain. This approach allows to reduce the computational cost. The second approach of the MQTT client for fault diagnosis uses short-time Fourier transform (STFT) to transform IMU 6 DOF sensor data into six spectrograms that are combined into an RGB image. All three-axis accelerometer and three-axis gyroscope data are used to obtain a time-frequency RGB image. The diagnosis of the machine is performed by a trained convolutional neural network suitable for RGB image recognition. Prediction result is returned as a JSON object with predicted state and probability of each state. For HTTP, the fault diagnosis result is sent in response, and for MQTT, it is send to prediction topic. Both protocols and both proposed approaches are suitable for fault diagnosis based on the mechanical vibration of the rotary machine and were tested in demonstration. Full article

This work explores the electronic structure as well as the reactivity of singlet diradicals, making use of multistate density functional theory (MSDFT). In particular, we show that a minimal active space of two electrons in two orbitals is adequate to treat the relative energies of the singlet and triplet adiabatic ground state as well as the first singlet excited state in many cases. This is plausible because dynamic correlation is included in the first place in the optimization of orbitals in each determinant state via block-localized Kohn–Sham density functional theory. In addition, molecular fragment, i.e., block-localized Kohn–Sham orbitals, are optimized separately for each determinant, providing a variational diabatic representation of valence bond-like states, which are subsequently used in nonorthogonal state interactions (NOSIs). The computational procedure and its performance are illustrated on some prototypical diradical species. It is shown that NOSI calculations in MSDFT can be used to model bond dissociation and hydrogen-atom transfer reactions, employing a minimal number of configuration state functions as the basis states. For p- and s-types of diradicals, the closed-shell diradicals are found to be more reactive than the open-shell ones due to a larger diabatic coupling with the final product state. Such a diabatic representation may be useful to define reaction coordinates for electron transfer, proton transfer and coupled electron and proton transfer reactions in condensed-phase simulations. Full article