A comparative study of two molecular mechanics models based on harmonic potentials

We show that the two molecular mechanics models, the stick-spiral and the beam models, predict considerably different mechanical properties of materials based on energy equivalence. The difference between the two models is independent of the materials since all parameters of the beam model are obtained from the harmonic potentials. We demonstrate this difference for finite width graphene nanoribbons and a single polyethylene chain comparing results of the molecular dynamics (MD) simulations with harmonic potentials and the finite element method with the beam model. We also find that the difference strongly depends on the loading modes, chirality and width of the graphene nanoribbons, and it increases with decreasing width of the nanoribbons under pure bending condition. The maximum difference of the predicted mechanical properties using the two models can exceed 300% in different loading modes. Comparing the two models with the MD results of AIREBO potential, we find that the stick-spiral model overestimates and the beam model underestimates the mechanical properties in narrow armchair graphene nanoribbons under pure bending condition.Comment: 40 pages, 21 figure

Magnetic Proximity Effect and Interlayer Exchange Coupling of Ferromagnetic/Topological Insulator/Ferromagnetic Trilayer

Magnetic proximity effect between topological insulator (TI) and ferromagnetic insulator (FMI) is considered to have great potential in spintronics. However, a complete determination of interfacial magnetic structure has been highly challenging. We theoretically investigate the interlayer exchange coupling of two FMIs separated by a TI thin film, and show that the particular electronic states of the TI contributing to the proximity effect can be directly identified through the coupling behavior between two FMIs, together with a tunability of coupling constant. Such FMI/TI/FMI structure not only serves as a platform to clarify the magnetic structure of FMI/TI interface, but also provides insights into designing the magnetic storage devices with ultrafast response.Comment: 7 pages, 4 figure

Fault Diagnosis of a Hydraulic Pump Based on the CEEMD-STFT Time-Frequency Entropy Method and Multiclass SVM Classifier

The fault diagnosis of hydraulic pumps is currently important and significant to ensure the normal operation of the entire hydraulic system. Considering the nonlinear characteristics of hydraulic-pump vibration signals and the mode mixing problem of the original Empirical Mode Decomposition (EMD) method, first, we use the Complete Ensemble EMD (CEEMD) method to decompose the signals. Second, the time-frequency analysis methods, which include the Short-Time Fourier Transform (STFT) and time-frequency entropy calculation, are applied to realize the robust feature extraction. Third, the multiclass Support Vector Machine (SVM) classifier is introduced to automatically classify the fault mode in this paper. An actual hydraulic-pump experiment demonstrates the procedure with a complete feature extraction and accurate mode classification

A deep learning method using SDA combined with dropout for bearing fault diagnosis

The fault diagnosis of a rolling bearing is at present very important to ensure the steadiness of rotating machinery. According to the non-stationary and non-liner characteristics of bearing vibration signals, a large number of approaches for feature extraction and fault classification have been developed. An effective unsupervised self-learning method is proposed to achieve the complicated fault diagnosis of rolling bearing in this paper, which uses stacked denoising autoencoder (SDA) to learn useful feature representations and improve fault pattern classification robustness by corrupting the input data, meanwhile employs “dropout” to prevent the overfitting of hidden units. Finally the high-level feature representations extracted are set as the inputs of softmax classifier to achieve fault classification. Experiments indicate that the deep learning method of SDA combined with dropout has an advantage in fault diagnosis of bearing, and can be applied widely in future

Exceptional high Seebeck Coefficient and Gas-Flow-Induced Voltage in Multilayer Graphene

Monolayer graphene shows Seebeck coefficient several times and gas-flow-induced voltage twenty times higher than that of bulk graphite. Here we find that the Seebeck coefficient of multilayer graphene increases monotonically with increasing layer and reaches its peak value at hexa-layer ~77% higher than for monolayer and then decreases, although the electric resistance decreases monotonically with increasing layer. The flow-induced voltage is significantly higher in 2, 4, 5, 6, 7 layered graphene than in 1, 3, 8 layered one, against the prevailing view that it should be proportional to Seebeck coefficient. These thickness effects are also in sharp contrast to that in continuous aluminum nanofilms.Comment: 5 figures,20pages,conferenc

Quantum model prediction for frequency regulation of novel power systems which includes a high proportion of energy storage

As the proportion of renewable energy generation continues to increase, the participation of new energy stations with high-proportion energy storage in power system frequency regulation is of significant importance for stable and secure operation of the new power system. To address this issue, an energy storage control method based on quantum walks and model predictive control (MPC) has been proposed. First, historical frequency deviation signals and energy storage charge–discharge state signals are collected. Simulation data are generated through amplitude encoding and quantum walks, followed by quantum decoding. Subsequently, the decoded data are inputted into the MPC framework for real-time control, with parameters of the predictive model continuously adjusted through a feedback loop. Finally, a novel power system frequency regulation model with high-proportion new energy storage stations is constructed on the MATLAB/Simulink platform. Simulation verification is conducted with the proportional–integral–derivative (PID) and MPC methods as comparative approaches. Simulation results under step disturbances and random disturbances demonstrate that the proposed method exhibits stronger robustness and better control accuracy