Third-order nonlinear optical (NLO) materials have broad application prospects in high-density data storage, optical computer, modern laser technology, and other high-tech industries. The structures and frequencies of...Third-order nonlinear optical (NLO) materials have broad application prospects in high-density data storage, optical computer, modern laser technology, and other high-tech industries. The structures and frequencies of Dinaphtho[2,3-b:2’,3’-d]thiophene-5,7,12,13-tetraone (DNTTRA) and its 36 derivatives containing azobenzene were calculated by using density functional theory B3LYP and M06-2X methods at 6-311++g(d, p) level, respectively. Besides, the atomic charges of natural bond orbitals (NBO) were analyzed. The frontier orbitals and electron absorption spectra of A-G5 molecule were calculated by TD-DFT (TD-B3LYP/6-311++g(d, p) and TD-M06-2X/6-311++g(d, p)). The NLO properties were calculated by effective finite field FF method and self-compiled program. The results show that 36 molecules of these six series are D-π-A-π-D structures. The third-order NLO coefficients γ (second-order hyperpolarizability) of the D series molecules are the largest among the six series, reaching 10<sup>7</sup> atomic units (10<sup><span style="color:#4F4F4F;font-family:-apple-system, " font-size:14px;white-space:normal;background-color:#ffffff;"="">-</span>33</sup> esu) of order of magnitude, showing good third-order NLO properties. Last, the third-order NLO properties of the azobenzene ring can be improved by introducing strong electron donor groups (e.g. -N(CH<sub>3</sub>)<sub>2</sub> or -NHCH<sub>3</sub>) in the azobenzene ring, so that the third-order NLO materials with good performance can be obtained.展开更多
In this paper, the theory of elastic circular plate with no classical Kirchhoff-Love assumptions is established on the basis of a previous paper. In this theory, no classical Kirchhoff-Love assumptions are pre-assumed...In this paper, the theory of elastic circular plate with no classical Kirchhoff-Love assumptions is established on the basis of a previous paper. In this theory, no classical Kirchhoff-Love assumptions are pre-assumed and the axial symmetrical analytic solution of fixed circular plate under the action of uniform pressure is obtained. Comparison of this solution and the known classical solution shows that this new solution agrees better than classical solution with the experiment measurement.This gives also the quantitative effect of the thickness on the deflection of circular plate with moderate thickness.展开更多
The seakeeping performance of a luxury cruise ship was evaluated during the concept design phase.By comparing numerical predictions based on 3-D linear potential flow theory in the frequency domain with the results of...The seakeeping performance of a luxury cruise ship was evaluated during the concept design phase.By comparing numerical predictions based on 3-D linear potential flow theory in the frequency domain with the results of model tests, it was shown that the 3-D method predicted the seakeeping performance of the luxury cruise ship well.Based on the model, the seakeeping features of the luxury cruise ship were analyzed, and then the influence was seen of changes to the primary design parameters (center of gravity, inertial radius, etc.).Based on the results, suggestions were proposed to improve the choice of parameters for luxury cruise ships during the concept design phase.They should improve seakeeping performance.展开更多
Tension Leg Platform(TLP)in deepwater oil and gas field development usually consists of a hull,tendons,and top tension risers(TTRs).To maintain its top tension,each TTR is connected with a tensioner system to the hull...Tension Leg Platform(TLP)in deepwater oil and gas field development usually consists of a hull,tendons,and top tension risers(TTRs).To maintain its top tension,each TTR is connected with a tensioner system to the hull.Owing to the complicated configuration of the tensioners,the hull and TTRs form a strong coupled system.Traditionally,some simplified tensioner models are applied to analyze the TLP structures.There is a large discrepancy between their analysis results and the actual mechanism behaviors of a tensioner.It is very necessary to develop a more detailed tensioner model to consider the coupling effects between TLP and TTRs.In the present study,a fully coupled TLP hull-TTR system for hydrodynamic numerical simulation is established.A specific hydraulic pneumatic tensioner is modeled by considering 4 cylinders.The production TTR model is stacked up by specific riser joints.The simulation is also extended to analyze an array of TTRs.Different regular and irregular waves are considered.The behaviors of different cylinders are presented.The results show that it is important to consider the specific configurations of the tensioner and TTRs,which may lead to obviously different response behaviors,compared with those from a simplified model.展开更多
文摘Third-order nonlinear optical (NLO) materials have broad application prospects in high-density data storage, optical computer, modern laser technology, and other high-tech industries. The structures and frequencies of Dinaphtho[2,3-b:2’,3’-d]thiophene-5,7,12,13-tetraone (DNTTRA) and its 36 derivatives containing azobenzene were calculated by using density functional theory B3LYP and M06-2X methods at 6-311++g(d, p) level, respectively. Besides, the atomic charges of natural bond orbitals (NBO) were analyzed. The frontier orbitals and electron absorption spectra of A-G5 molecule were calculated by TD-DFT (TD-B3LYP/6-311++g(d, p) and TD-M06-2X/6-311++g(d, p)). The NLO properties were calculated by effective finite field FF method and self-compiled program. The results show that 36 molecules of these six series are D-π-A-π-D structures. The third-order NLO coefficients γ (second-order hyperpolarizability) of the D series molecules are the largest among the six series, reaching 10<sup>7</sup> atomic units (10<sup><span style="color:#4F4F4F;font-family:-apple-system, " font-size:14px;white-space:normal;background-color:#ffffff;"="">-</span>33</sup> esu) of order of magnitude, showing good third-order NLO properties. Last, the third-order NLO properties of the azobenzene ring can be improved by introducing strong electron donor groups (e.g. -N(CH<sub>3</sub>)<sub>2</sub> or -NHCH<sub>3</sub>) in the azobenzene ring, so that the third-order NLO materials with good performance can be obtained.
文摘In this paper, the theory of elastic circular plate with no classical Kirchhoff-Love assumptions is established on the basis of a previous paper. In this theory, no classical Kirchhoff-Love assumptions are pre-assumed and the axial symmetrical analytic solution of fixed circular plate under the action of uniform pressure is obtained. Comparison of this solution and the known classical solution shows that this new solution agrees better than classical solution with the experiment measurement.This gives also the quantitative effect of the thickness on the deflection of circular plate with moderate thickness.
文摘The seakeeping performance of a luxury cruise ship was evaluated during the concept design phase.By comparing numerical predictions based on 3-D linear potential flow theory in the frequency domain with the results of model tests, it was shown that the 3-D method predicted the seakeeping performance of the luxury cruise ship well.Based on the model, the seakeeping features of the luxury cruise ship were analyzed, and then the influence was seen of changes to the primary design parameters (center of gravity, inertial radius, etc.).Based on the results, suggestions were proposed to improve the choice of parameters for luxury cruise ships during the concept design phase.They should improve seakeeping performance.
基金The research was financially supported by the National Natural Science Foundation of China for Youth(Grant No.51609169)Guangxi Science and Technology Major Project(Grant No.Guike AA17292007)+2 种基金the National Key R&D Program of China(Grant No.2018YFC0310502)National Natural Science Foundation of China(Grant No.51779173)China Scholarship Council(CSC).
文摘Tension Leg Platform(TLP)in deepwater oil and gas field development usually consists of a hull,tendons,and top tension risers(TTRs).To maintain its top tension,each TTR is connected with a tensioner system to the hull.Owing to the complicated configuration of the tensioners,the hull and TTRs form a strong coupled system.Traditionally,some simplified tensioner models are applied to analyze the TLP structures.There is a large discrepancy between their analysis results and the actual mechanism behaviors of a tensioner.It is very necessary to develop a more detailed tensioner model to consider the coupling effects between TLP and TTRs.In the present study,a fully coupled TLP hull-TTR system for hydrodynamic numerical simulation is established.A specific hydraulic pneumatic tensioner is modeled by considering 4 cylinders.The production TTR model is stacked up by specific riser joints.The simulation is also extended to analyze an array of TTRs.Different regular and irregular waves are considered.The behaviors of different cylinders are presented.The results show that it is important to consider the specific configurations of the tensioner and TTRs,which may lead to obviously different response behaviors,compared with those from a simplified model.
