First principles simulation studies using the density functional theory have been performed on (9, 0) Zigzag Singlewalled Carbon Nanotube (SWCNT) to investigate its electronic, optical and thermodynamic properties using CASTEP (Cambridge Sequential Total Energy Package) and DFTB (Density Functional based Tight Binding) modules of the Material Studio Software version 7.0. Various functionals and sub-functionals available in the CASTEP Module (using Pulay Density Mixing treatment of electrons) and various eigen-solvers and smearing schemes available in the DFTB module (using smart algorithm) have been tried out to chalk out the electronic structure. The analytically deduced values of the band gap obtained were compared with the experimentally determined value reported in the literature. By comparison, combination of Anderson smearing scheme and standard diaogonalizer produced best results in DFTB module while in the CASTEP module, GGA (General Gradient approximation) functional with RPBE (Revised-perdew-Burke-Ernzerh) as Sub-functional was found to be the most consistent. These optimized parameters were then used to determine various electronic, optical and thermodynamic properties of (9, 0) Singlewalled Nanotube. (9, 0) Singlewalled Nanotube, which is extensively being used for sensing NH3, CH4 & NO2, has been picked up in particular as it is reported to exhibit a finite energy band gap in contrast to its expected metallic nature. The study is of utmost significance as it not only probes and validates the simulation route for predicting suitable properties of nanomaterials but also throws light on the comparative efficacy of the different approximation and rationalization quantum mechanical techniques used in simulation studies.
Background: Simulation-based medical education is a complex learning methodology in different fields. Exposing children to this teaching method is uncommon as it is designed for adult learning. This study aimed to develop and implement simulation-based education in first aid training of children and investigate the emotions of children in post-simulation scenarios that replicate emergency situations. Methods: This was a phenomenological qualitative research study. The participants attended the modified “Little Doctor” course that aims to train children in first aid and, subsequently, completed simulation scenarios. The children attended focus groups and were asked about their experiences of the course and how they felt during the simulation scenarios. Results: 12 children (Age 8–11 years old) attended the course, and 10 completed the simulation scenarios and focus groups. The major theme derived from was the simulation experience’s effect, which was divided into two subthemes: the emotion caused by—and the behavioral response to—the simulation. The analysis revealed shock and surprise toward the environment of the simulation event and the victim. The behaviors expressed during the simulation scenarios ranged from skill application and empathy to recall and teamwork. Conclusions: Simulation scenarios were successfully implemented during the first-aid training course. Although participants reported mixed feelings regarding the experience, they expressed confidence in their ability to perform real-life skills.
This study aims to identify the risk factors causing the delay in the completion schedule and to determine an optimization strategy for more accurate completion schedule prediction. A validated questionnaire has been used to calculate a risk rating using the analytical hierarchy process (AHP) method, and a Monte Carlo simulation on @RISK 8.2 software was employed to obtain a more accurate prediction of project completion schedules. The study revealed that the dominant risk factors causing project delays are coordination with stakeholders and changes in the scope of work/design review. In addition, the project completion date was determined with a confidence level of 95%. All data used in this study were obtained directly from the case study of the Double-Double Track Development Project (Package A). The key result of this study is the optimization of a risk-based schedule forecast with a 95% confidence level, applicable directly to the scheduling of the Double-Double Track Development Project (Package A). This paper demonstrates the application of Monte Carlo Simulation using @RISK 8.2 software as a project management tool for predicting risk-based-project completion schedules.
The construction of gas plants often experiences delays caused by various factors, which can lead to significant financial and operational losses. This research aims to develop an accurate risk model to improve the schedule performance of gas plant projects. The model uses Quantitative Risk Analysis (QRA) and Monte Carlo simulation methods to identify and measure the risks that most significantly impact project schedule performance. A comprehensive literature review was conducted to identify the risk variables that may cause delays. The risk model, pre-simulation modeling, result analysis, and expert validation were all developed using a Focused Group Discussion (FGD). Primavera Risk Analysis (PRA) software was used to perform Monte Carlo simulations. The simulation output provides information on probability distribution, histograms, descriptive statistics, sensitivity analysis, and graphical results that aid in better understanding and decision-making regarding project risks. The research results show that the simulated project completion timeline after mitigation suggested an acceleration of 61–65 days compared to the findings of the baseline simulation. This demonstrates that activity-based mitigation has a major influence on improving schedule performance. This research makes a significant contribution to addressing project delay issues by introducing an innovative and effective risk model. The model empowers project teams to proactively identify, measure, and mitigate risks, thereby improving project schedule performance and delivering more successful projects.
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