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.
Hospital performance possesses strategic significance in achieving an essential completive advantage for the public hospitals. This study aimed to examine the relationship between patient safety culture (PSC) and the performance of traditional Chinese medicine (TCM) public hospitals in Sichuan, China. To address the research purpose, this study analyses the hospital performance and Patient safety culture in traditional Chinese medicine public hospital in China. We examine the propose model by analyzing cross-sectional survey data from 194 clinical directors at 194 public traditional Chinese medicine hospitals using the Partial least squares structural equation model in Smart PLS 4.0. This study provides predictive evidence that PSC in unit management and management support can lead to better patient safety outcomes. The results revealed patient safety outcomes significantly and positively effects of patient safety related to unit management and management support on overall hospital performance (p-value: 0.000–0.003).
This study aims to analyse the impact of Brexit on London’s housing market, exploring socio-economic and regional disparities. By examining property transaction data from 2012 to 2022, the research seeks to understand how Brexit has influenced real housing prices across different boroughs of London. The methodology involves aggregating transaction data from the Her Majesty (HM) Price Paid database and normalizing prices using the Consumer Price Index (CPI) to obtain real price variations. These data were segmented into three distinct periods: pre-Brexit (2012–2016), post-plebiscite Brexit (2016–2019), and post-implementation Brexit (2020–2022). Spatial analysis was conducted using the software Quantum Geographic Information System (QGIS), transforming point data (postcodes) into polygonal data (wards) for better visualization and comparison. The findings reveal significant socio-economic impacts, with traditionally affluent areas such as Westminster, Kensington, and Chelsea experiencing notable declines in real housing prices. Conversely, certain outer boroughs like Newham and Barnet showed resilience, with positive real price variations despite decreased sales. This geographical disparity underscores the uneven distribution of Brexit’s economic consequences, highlighting the critical role of localized economic policies and development projects in mitigating adverse effects. The results confirm existing literature on the polarization and regional inequalities exacerbated by Brexit while providing new insights into the complex interplay of local and global factors affecting housing markets. The findings emphasize the need for targeted policy interventions to address the diverse challenges posed by Brexit, ensuring both affluent and disadvantaged areas receive adequate support. This research is crucial for informing public policy, urban planning, and housing market strategies in a post-Brexit context, promoting equitable and sustainable development across London.
This study investigates the critical skills required for new entrants to succeed in today’s workforce, focusing on both soft and hard skills. Through a comprehensive systematic review of existing literature using the PRISMA method, we analyzed 12 selected journals from an initial pool of 870, sourced from major databases such as Scopus, Science Direct, and Emerald Insight. Our research uncovers four key insights. First, we provide a clear and precise definition of employability skills, establishing the foundation for what competencies are essential for workforce readiness. Second, our analysis identifies a distinct separation between soft and hard skills, with soft skills such as communication, problem-solving, teamwork, ethics, and leadership being universally critical across all industries. Third, while soft skills have broad applicability, hard skills are highly specialized, varying significantly depending on industry and job role. To simplify their understanding and application, we categorized these hard skills into specific groups. Finally, the study highlights the urgent need for further empirical research to validate these findings in real-world settings, as the current conclusions are drawn solely from literature. This potential gap between academic preparation and industry expectations underscores the necessity for ongoing collaboration between educational institutions and employers, which will be a primary focus of our future research.
Realistic project scheduling and control are critical for running a profitable enterprise in the construction industry. Finance-based scheduling aims to produce more realistic schedules by considering both resource and cash constraints. Since the introduction of finance-based scheduling, its literature has evolved from a single-objective model to a multi-objective model and also from a single-project problem to a multi-project problem for a contractor. This study investigates the possibility of cooperation among contractors with concurrent projects to minimize financial costs. Contractors often do not use their entire credit and may be required to pay a penalty for the unused portions. Therefore, contractors are willing to share these unused portions to decrease their financing costs and consequently improve their overall profits. This study focuses on the partnering of two contractors in a joint finance-based scheduling where contractors are allowed to lend credit to or borrow credit from each other at an internal interest rate. We apply this approach to an illustrative example in which two concurrent projects have the potential for partnering. Results show that joint finance-based scheduling reduces the financing cost for both contractors and leads to additional overall profits. Our further analyses highlight the intricate dynamics impacting additional net profit, revealing optimal scenarios for cooperation in complex project networks.
This study evaluated the performance of several machine learning classifiers—Decision Tree, Random Forest, Logistic Regression, Gradient Boosting, SVM, KNN, and Naive Bayes—for adaptability classification in online and onsite learning environments. Decision Tree and Random Forest models achieved the highest accuracy of 0.833, with balanced precision, recall, and F1-scores, indicating strong, overall performance. In contrast, Naive Bayes, while having the lowest accuracy (0.625), exhibited high recall, making it potentially useful for identifying adaptable students despite lower precision. SHAP (SHapley Additive exPlanations) analysis further identified the most influential features on adaptability classification. IT Resources at the University emerged as the primary factor affecting adaptability, followed by Digital Tools Exposure and Class Scheduling Flexibility. Additionally, Psychological Readiness for Change and Technical Support Availability were impactful, underscoring their importance in engaging students in online learning. These findings illustrate the significance of IT infrastructure and flexible scheduling in fostering adaptability, with implications for enhancing online learning experiences.
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