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.

This study examines the impact of state highway construction contracts on state spending efficiency controlling for production structure, service demands, and situational factors. The theoretical argument is that because highway construction projects are relatively large in scale, complex, and can be monitored through objective performance measurement, state highway construction programs may save government production costs through contracts. Contracting helps highway producers achieve efficiency by optimizing production size based on workload and task complexity. The unit of analysis is 48 state governments’ highway construction contracts from 1998 to 2008. Through a two-stage analysis method including a Total Function Productivity (TFP) index and system dynamic panel data analysis, the results suggest that highway construction contracts enhance state highway spending efficiency, especially for large-scale construction projects.

This study explores the intricate relationship between family functioning, emotional bonding, parent-child contact, and academic success among students through a serial mediation analysis. The research, conducted on a sample of 200 participants, sheds light on the indirect pathways through which family dynamics influence academic achievements, emphasizing the significance of emotional connections and parent-child interactions. The findings affirm the positive association between family functioning and academic achievement, in alignment with prior research. Additionally, the study identifies parent-child bonds and contact as partial mediators in this relationship, reinforcing previous findings. A noteworthy discovery is the full complementary sequential mediation effect, revealing that family functioning’s influence on academic success becomes substantial when emotional bonds foster increased parent-child contact. In conclusion, this research underscores the importance of emotional bonds and parent-child contact as sequential mediators, emphasizing their role in translating family dynamics into academic achievements among students. While providing valuable insights, the study acknowledges limitations such as sample size, potential sampling bias, self-reported measures, and a cross-sectional design. Addressing these limitations and expanding the scope of outcomes in future research will contribute to a more comprehensive understanding of the complex dynamics within family and educational institutions relationships and their profound impacts on students’ academic success.