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This paper aims to synthesise and characterise N-cyclohexylmethacrylamide (NCMA) monomer which contains thermosensitive group. The characterisation of monomer was performed both theoretically and experimentally.

The monomer was prepared by reacting cyclohexylamine with methacryloyl chloride in the presence of triethylamine at room temperature. The synthesised monomer was characterised by using not only Density Functional Theory (DFT) and Hartree–Fock (HF) with the Gaussian 09 software but also fourier transform infrared (FT–IR), ¹H and ¹³C nuclear magnetic resonance (NMR) spectroscopy.

Both the experimental and the theoretical methods demonstrated that the monomer was successfully synthesised. The vibrational frequencies, the molecular structural geometry, such as optimised geometric bond angles, bond lengths and the Mulliken atomic charges of NCMA were investigated by using DFT/B3LYP and HF methods with the 3-21G* basis set. The experimental results were compared with theoretical values. The results revealed that the calculated frequencies were in good accord with the experimental values. Besides, frontier molecular orbitals (FMOs) and molecular electrostatic potential of NCMA were investigated by theoretical calculations at the B3LYP/3–21G* basis set.

Monomer and polymer containing a thermosensitive functional group have attracted great interest from both industrial and academic fields. Their characterisation can provide great opportunities for polymer science by using DFT and HF methods.

The monomer containing a thermosensitive functional group and a various polymer may be prepared by using DFT and HF methods described in this paper. The calculated data are greatly important to provide insight into molecular analysis and then used in technological applications.

In this paper, based on the density functional theory (DFT) and finite element method (FEM), the elastic, buckling and vibrational behaviors of the monolayer bismuthene are studied.

The computed elastic properties based on DFT are used to develop a finite element (FE) model for the monolayer bismuthene in which the Bi-Bi bonds are simulated by beam elements. Furthermore, mass elements are used to model the Bi atoms. The developed FE model is used to compute Young's modulus of monolayer bismuthene. The model is then used to evaluate the buckling force and fundamental natural frequency of the monolayer bismuthene with different geometrical parameters.

Comparing the results of the FEM and DFT, it is shown that the proposed model can predict Young's modulus of the monolayer bismuthene with an acceptable accuracy. It is also shown that the influence of the vertical side length on the fundamental natural frequency of the monolayer bismuthene is not significant. However, vibrational characteristics of the bismuthene are significantly affected by the horizontal side length.

DFT and FEM are used to study the elastic, vibrational and buckling properties of the monolayer bismuthene. The developed model can be used to predict Young's modulus of the monolayer bismuthene accurately. Effect of the vertical side length on the fundamental natural frequency is negligible. However, vibrational characteristics are significantly affected by the horizontal side length.

This paper aims to deal with the problems of failure dependence and common cause failure (CCF) that arise in reliability analysis of complex systems.

Firstly, a dynamic fault tree (DFT) is used to capture the dynamic failure behaviours and converted into an equivalent generalized stochastic petri net (GSPN) for quantitative analysis. Secondly, an efficient decomposition and aggregation (EDA) theory is combined with GSPN to deal with the CCF problem, which exists in redundant systems. Finally, Birnbaum importance measure (BIM) is calculated based on the EDA approach and GSPN model, and it is used to take decisions for system improvement and fault diagnosis.

In this paper, a new reliability evaluation method for dynamic systems subject to CCF is presented based on the DFT analysis and the GSPN model. The GSPN model is easy to capture dynamic failure behaviours of complex systems, and the movement of tokens in the GSPN model represent the changes in the state of the systems. The proposed method takes advantage of the GSPN model and incorporates the EDA method into the GSPN, which simplifies the reliability analysis process. Meanwhile, simulation results under different conditions show that CCF has made a considerable impact on reliability analysis for complex systems, which indicates that the CCF should not be ignored in reliability analysis.

The proposed method combines the EDA theory with the GSPN model to improve the efficiency of the reliability analysis.

This paper aims to present two methods for calculating the steady state probability of a repairable fault tree with priority AND gates and repeated basic events when the minimal cut sets are given.

The authors consider a situation that the occurrence of an operational demand and its disappearance occur alternately. We assume that both the occurrence and the restoration of the basic event are statistically independent and exponentially distributed. Here, restoration means the disappearance of the occurring event as a result of a restoration action. First, we obtain the steady state probability of an output event of a single‐priority AND gate by Markov analysis. Then, we propose two methods of obtaining the top event probability based on an Inclusion‐Exclusion method and by considering the sum of disjoint probabilities.

The closed form expression of steady state probability of a priority AND gate is derived. The proposed methods for obtaining the top event probability are compared numerically with conventional Markov analysis and Monte Carlo simulation to verify the effectiveness. The result shows the effectiveness of the authors’ methods.

The methodology presented shows a new solution for calculating the top event probability of repairable dynamic fault trees.

The discrete Fourier transformation (DFT) has been proven to be a successful method for determining whether a discrete time series is seasonal and, if so, for detecting the period. This paper deals exclusively with rare data, in which instances occur periodically at a low frequency.

Data based on real-world situations is simulated for analysis.

Cycle number detection is done with spectral analysis, period detection is completed using DFT coefficients and signal shifts in the time domain are found using the convolution theorem. Additionally, a new method for detecting anomalies in binary, rare data is presented: the sum of distances. Using this method, expected events which have not occurred and unexpected events which have occurred at various sampling frequencies can be detected. Anomalies which are not considered outliers to be found.

Aliasing can contribute to extra frequencies which point to extra periods in the time domain. This can be reduced or removed with techniques such as windowing. In future work, this will be explored.

Applications include determining seasonality and thus investigating the underlying causes of hard drive failure, power outages and other undesired events. This work will also lend itself well to finding patterns among missing desired events, such as a scheduled hard drive backup or an employee's regular login to a server.

This paper has shown how seasonality and anomalies are successfully detected in seasonal, discrete, rare and binary data. Previously, the DFT has only been used for non-rare data.

The modern missile has low uncertain and wide range vibration frequency. The conventional notch filter with the fixed notch frequency is less effective than that of the adaptive notch filter (ANF) in vibration suppression for the time-varying vibration frequency.

To overcome the drawback, a novel method is based on frequency estimators made by interpolation of three discrete Fourier transform (DFT) spectral lines. The modified frequency estimators based on the interpolation of three DFT spectral lines are presented to identify and track the vibration frequency. Then the notch frequencies of multiple ANFs are real-timely tuned according to estimators.

Finally, taking the second-order flexible missile as an example, the performance of the proposed method is verified. The verified simulation results show that multiple ANFs are effective in vibration suppression.

Cascading multiple ANFs to achieve multi-order vibration suppression is more efficient and feasible than conventional fixed-parameter notch filtering.

The frequency estimation method based on three DFT spectral lines proposed in this paper can effectively identify and track signals in the noise environment. Compared with conventional methods, the method pretended in this paper has high identification accuracy and a stronger ability to track signals. It can meet the fast frequency identification requirements of the actual flexible missile.

This paper aims to prepare a new donor–π–acceptor (D–π–A) and acceptor–π– D–π–A (A–π–D–π–A) phenothiazine (PTZ) in conjugation with vinyl isophorone (PTZ-1 and PTZ-2) were designed and their molecular shape, electrical structures and characteristics have been explored using the density functional theory (DFT). The results satisfactorily explain that the higher conjugative effect resulted in a smaller high occupied molecular orbital–lowest unoccupied molecular orbital gap (Eg). Both compounds show intramolecular charge transfer (ICT) transitions in the ultraviolet (UV)–visible range, with a bathochromic shift and higher absorption oscillator strength, as determined by DFT calculations.

The produced PTZ-1 and PTZ-2 sensors were characterized using various spectroscopic methods, including Fourier-transform infrared spectroscopy and nuclear magnetic resonance spectroscopy (¹H/¹³CNMR). UV–visible absorbance spectra of the generated D–π–A PTZ-1 and A–π–D–π–A PTZ-2 dyes were explored in different solvents of changeable polarities to illustrate positive solvatochromism correlated to intramolecular charge transfer.

The emission spectra of PTZ-1 and PTZ-2 showed strong solvent-dependent band intensity and wavelength. Stokes shifts were monitored to increase with the increase of the solvent polarity up to 4122 cm⁻¹ for the most polar solvent. Linear energy-solvation relationship was applied to inspect solvent-dependent Stokes shifting. Quantum yield (ф) of PTZ-1 and PTZ-2 was also explored. The maximum UV–visible absorbance wavelengths were detected at 417 and 419 nm, whereas the fluorescence intensity was monitored at 586 and 588 nm.

The PTZ-1 and PTZ-2 dyes leading to colorimetric and emission spectral changes together with a color shift from yellow to red.

This paper examines the influence of facilitators and barriers on employees’ preference to work in a hybrid model. The study uses the theoretical lens of stimulus-organism-response (SOR) and dual factor theory (DFT). It examines the influence of health consciousness (stimulus), facilitators (e.g. work flexibility, work–life balance and team building) (organism) and barriers (e.g. pandemic and travel stressor and role overload [organism] on employees’ preference to work in a hybrid model) (response). Further, it tests the moderating influence of organizational culture.

A questionnaire survey was conducted among employees in India, Sri Lanka and Germany, obtaining 281 usable questionnaires. Structural equation modeling (SEM) using Warp PLS 7.0 was used as the analytical technique to examine the model fit and test hypotheses.

The findings reveal that health consciousness is essential in enhancing facilitators and motivating employees to prefer a hybrid working model. The study’s findings also prove the positive influence of work flexibility, work–life balance and team building as facilitators. The results suggest that pandemic and travel stressors inhibit employees’ preference for working in a hybrid model.

The study is based on a cross-sectional research design to generalise the findings. Future researchers can utilize longitudinal design to decipher the variation in response over time. The study has developed a model combining SOR with DFT; the authors suggest that future researchers use other theories in combination with SOR, like self-determination theory (SDT), to decipher the influence of intrinsic and extrinsic motivation of employees in the context of the hybrid working model.

This study identifies the need for open communication with the employees to overcome their concerns regarding the hybrid working model. The study also suggests that human resource (HR) managers need to prioritize the task that needs to be accomplished from the office versus working from home. The authors recommend various measures, like water cooler breaks and a buddy system, to motivate employees to work in a hybrid model.

This study is among the first studies focused on the hybrid working model. The current study adds to the limited literature on the facilitators and barriers of working in a hybrid work model.

Decaying DC component has important effect on extracting the fundamental component phasor. It directly affects the precision of protective relaying algorithms which act based on fundamental frequency component. It can be noted that decaying DC component, harmonic components and off-nominal frequency conditions are the major issues which strongly effect phasor estimation. The paper aims to discuss these issues.

This paper proposes a novel hybrid approach for fundamental phasor estimation in order to remove the decaying DC component using Hilbert Transform and Discrete Fourier Transform.

The proposed method (PM) converges to the original value in one cycle in presence of harmonic components and off-nominal frequency condition. In addition, proposed algorithm is able to detect the frequency fluctuation. Thus, it is applicable for static and dynamic conditions. An extensive set of simulation results across static and dynamic validations demonstrated that the proposed approach has faster convergence and better precision than the present methods. In addition, during harmonic distortion and also frequency fluctuation, the PM provides a correct and reliable response.

The PM can calculate the DC component exactly from fault current signals and can be used in digital protection algorithms for phasor estimation.

This study aimed the synthesis and theoretical/experimental characterization of novel benzofuran-based acrylamide monomer.

Novel N-substituted acrylamide monomer, i.e. N-[2–(4-Bromo-benzoyl)-benzofuran-3-yl]-acrylamide (BBFA), was synthesized by reacting (3-Amino-benzofuran-2-yl)-(4-bromophenyl) methanone with acryloylchloride at 0–5^oC. Nuclear magnetic resonance (1H-NMR), infrared (FT-IR) and UV-Visible spectrophotometer were used to elucidate the chemical structure of BBFA. Computational studies were performed using the DFT (B3LYP) method on the basis of 6-31 + G (d, p) using Gaussian 09 W and Gauss View 5.0 package in addition to the VEDA program, gauge-independent atomic orbital (GIAO) and time-dependent density functional theory (TD-DFT) methods.

Molecular geometry and vibration assignments of the BBFA monomer were calculated. The molecular structure of the monomer was examined. Both longest and shortest bonds were determined in the structure. The nucleophilic and electrophilic regions of the monomer were determined. The theoretical spectroscopic data of the monomer were compared with the experimental data; both were consistent with each other. The chemical reactivity of the monomer was also determined.

The synthesized BBFA monomer can be evaluated in many areas; from medicine to industry (such as textiles) owing to the presence of various active functional groups. Indeed, acrylamide copolymers are remarkable materials for polymer science and industry. The data produced in this study is original and adds to the scientific community.