A modified molecular structural mechanics method, based on molecular mechanics and similar to the finite element method, was developed. The energy of a system was expressed by the force field functions of the molecula...A modified molecular structural mechanics method, based on molecular mechanics and similar to the finite element method, was developed. The energy of a system was expressed by the force field functions of the molecular mechanics. Under the small deformation assumption and by the principle of minimum potential energy, the system function was established. The properties of tension and bending of single-walled carbon nanotubes were analyzed. The Young＇s modulus is about 0.36 TPa nm, which agrees perfectly with the results of previous analysis by other researchers. It is found, for the first time, that the Young＇s moduli, for Zigzag nanotubes, are different from each other when the system energy was expressed as the sum of two or three individual energy terms in molecular mechanics. Whereas, the Young＇s moduli were the same for the Armchair nanotubes. It is found, when simulating the bending, that the deflections are closer to the theoretical ones, of the classical elasticity, when the diameter of the carbon nanotube increases.展开更多
The factor of safety of mechanically stabilized earth(MSE) structures can be analyzed either using limit equilibrium method(LEM) or strength reduction method(SRM) in finite element/difference method. In LEM, the stren...The factor of safety of mechanically stabilized earth(MSE) structures can be analyzed either using limit equilibrium method(LEM) or strength reduction method(SRM) in finite element/difference method. In LEM, the strengths of the reinforcement members and soils are reduced with the same factor. While using the SRM, only soil strength is reduced during the calculation of the factor of safety. This causes inconsistence in calculating the factor of safety of the MSE structures. To overcome this, an iteration method is proposed to consider the strength reduction of the reinforcements in SRM. The method is demonstrated by using PLAXIS, a finite element software. The results show that the factor of safety converges after a few iterations. The reduction of strength has different effects on the factor of safety depending on the properties of the reinforcements and the soil, and failure modes.展开更多
文摘A modified molecular structural mechanics method, based on molecular mechanics and similar to the finite element method, was developed. The energy of a system was expressed by the force field functions of the molecular mechanics. Under the small deformation assumption and by the principle of minimum potential energy, the system function was established. The properties of tension and bending of single-walled carbon nanotubes were analyzed. The Young＇s modulus is about 0.36 TPa nm, which agrees perfectly with the results of previous analysis by other researchers. It is found, for the first time, that the Young＇s moduli, for Zigzag nanotubes, are different from each other when the system energy was expressed as the sum of two or three individual energy terms in molecular mechanics. Whereas, the Young＇s moduli were the same for the Armchair nanotubes. It is found, when simulating the bending, that the deflections are closer to the theoretical ones, of the classical elasticity, when the diameter of the carbon nanotube increases.
基金Project(41072200)supported by the National Natural Science Foundation of ChinaProject(14PJD032)supported by the Shanghai Pujiang Program,China
文摘The factor of safety of mechanically stabilized earth(MSE) structures can be analyzed either using limit equilibrium method(LEM) or strength reduction method(SRM) in finite element/difference method. In LEM, the strengths of the reinforcement members and soils are reduced with the same factor. While using the SRM, only soil strength is reduced during the calculation of the factor of safety. This causes inconsistence in calculating the factor of safety of the MSE structures. To overcome this, an iteration method is proposed to consider the strength reduction of the reinforcements in SRM. The method is demonstrated by using PLAXIS, a finite element software. The results show that the factor of safety converges after a few iterations. The reduction of strength has different effects on the factor of safety depending on the properties of the reinforcements and the soil, and failure modes.
