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A DFT study on the interaction between europium, uranium and SWCNT

100%

Xie J.-C., Yong-Jian-Tang, Zhang H.

Open Physics

2011

vol. 9

issue 3

716-721

We investigate the electronic and band structure for the (8; 0) single-wall carbon nanotube (SWCNT) with a europium (Eu) and a uranium (U) atom outside by using the first-principles method with the density functional theory (DFT). The calculated band structure (BS), total density of state (TDOS), and projected density of state (PDOS) can elucidate the differences between the pure (8; 0) SWCNT and the nuclei outside the SWCNT. The indirect band gaps are obtained when Eu and U atom are put outside the (8; 0) CNT; they are 0.037 eV and 0.036 eV, respectively, which is much smaller than 0.851 eV for pure CNT. Compared with pure (8; 0) SWCNT, the bottom of the conduction band moves down by 0.383 eV and 0.451 eV with the Eu and U outside, and the top of valence band moves up by 0.127 eV and 0.162 eV, respectively. More significantly, the top of the valence band has exceeded the fermi-level. So, a single nucleus changes the semiconductor character of pure nanotube to semi-metal.

Effectiveness of Selected Fitness Exercises on Stress of Femoral Neck using Musculoskeletal Dynamics Simulations and Finite Element Model

88%

Qian J.-G., Li Z., Zhang H., Bian R., Zhang S.

Journal of Human Kinetics

2014

vol. 41

issue 1

59-70

The purpose of the study was to establish a dynamics model and a three-dimensional (3D) finite element model to analyze loading characteristics of femoral neck during walking, squat, single-leg standing, and forward and lateral lunges. One male volunteer performed three trials of the five movements. The 3D kinematic data were captured and imported into the LifeMOD to establish a musculoskeletal dynamics model to obtain joint reaction and muscle forces of iliacus, gluteus medius, gluteus maximus, psoas major and adductor magnus. The loading data LfeMOD were imported and transformed into a hip finite-element model. The results of the finite element femur model showed that stress was localized along the compression arc and the tension arc. In addition, the trabecular bone and tension lines of the Ward's triangle also demonstrated high stress. The compact bone received the greatest peak stress in the forward lunge and the least stress in the squat. However, the spongy bone in the femoral neck region had the greatest stress during the walk and the least stress in the squat. The results from this study indicate that the forward lunge may be an effective method to prevent femoral neck fractures. Walking is another effective and simple method that may improve bone mass of the Ward's triangle and prevent osteoporosis and femoral neck fracture.

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1 Zhang S.

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A DFT study on the interaction between europium, uranium and SWCNT

Effectiveness of Selected Fitness Exercises on Stress of Femoral Neck using Musculoskeletal Dynamics Simulations and Finite Element Model