The simulation of real contact area between materials is foundationally important for the contact mechanics of mechanical structures. The Greenwood and Williamson(GW) model and the Majumdar(MB) model are the basic mod...The simulation of real contact area between materials is foundationally important for the contact mechanics of mechanical structures. The Greenwood and Williamson(GW) model and the Majumdar(MB) model are the basic models in this field, which are widely accepted and proven to be valid in many experiments and engineering. Although the contact models have evolved considerably in recent years, the verifications of the models are most based on the indirect methods such as electrical conductivity and contact stiffness, because of the lack of effective methods to directly measure the variation of contact surface. In this paper, the total reflection(TR) method is introduced into the verification of contact models.An experiment system based on TR method is constructed to measure the real contact area of two PMMA specimens. The comparison analysis between the results of experiment and models suggests that the experiment result has the same trend with simulation, the MB model has better agreement with the experimental result because this method can take into account the variation of radius and the merging of asperities, while the GW model has a huge deviation because of the dependence on resolution and the lack of considering the variation of radius and asperity's merging process. Taking the interaction of asperities into account could give a better result that is closer to the experiment. Our results and analysis prove that the experimental methods in this paper could be used as a more direct and valid method to quantitatively measure the real contact area and to verify the contact models.展开更多
The guide-weight method is introduced to solve two kinds of topology optimization problems with multiple loads in this paper.The guide-weight method and its Lagrange multipliers' solution methods are presented fir...The guide-weight method is introduced to solve two kinds of topology optimization problems with multiple loads in this paper.The guide-weight method and its Lagrange multipliers' solution methods are presented first,and the Lagrange multipliers' soution method of problems with multiple constraints is improved by the dual method.Then the iterative formulas of the guide-weight method for topology optimization problems of minimum compliance and minimum weight are derived and coresponding numerical examples are calculated.The results of the examples exhibits that when the guide-weight method is used to solve topology optimization problems with multiple loads,it works very well with simple iterative formulas,and has fast convergence and good solution.After comparison with the results calculated by the SCP method in Ansys,one can conclude that the guide-weight method is an effective method and it provides a new way for solving topology optimization problems.展开更多
The guide-weight method is introduced to solve the topology optimization problems of thermoelastic structures in this paper.First,the solid isotropic microstructure with penalization(SIMP)with different penalty factor...The guide-weight method is introduced to solve the topology optimization problems of thermoelastic structures in this paper.First,the solid isotropic microstructure with penalization(SIMP)with different penalty factors is selected as a material interpolation model for the thermal and mechanical fields.The general criteria of the guide-weight method is then presented.Two types of iteration formulas of the guide-weight method are applied to the topology optimization of thermoelastic structures,one of which is to minimize the mean compliance of the structure with material constraint,whereas the other one is to minimize the total weight with displacement constraint.For each type of problem,sensitivity analysis is conducted based on SIMP model.Finally,four classical 2-dimensional numerical examples and a 3-dimensional numerical example considering the thermal field are selected to perform calculation.The factors that affect the optimal topology are discussed,and the performance of the guide-weight method is tested.The results show that the guide-weight method has the advantages of simple iterative formula,fast convergence and relatively clear topology result.展开更多
Quasiparticle band structures of the defective anatase TiO2 bulk with O vacancy, Ti interstitial and H interstitial are investigated by the GW method within many-body Green＇s function theory. The computed direct band...Quasiparticle band structures of the defective anatase TiO2 bulk with O vacancy, Ti interstitial and H interstitial are investigated by the GW method within many-body Green＇s function theory. The computed direct band gap of the perfect anatase bulk is 4.3 eV, far larger than the experimental optical absorption edge （3.2 eV）. We found that this can be ascribed to the inherent defects in anatase which drag the conduction band （CB） edge down. The occupied band-gap states induced by these defects locate close to the CB edge, exclud- ing the possible contribution of these bulk defects to the deep band-gap state below CB as observed in experiments.展开更多
自然条件下,BeSiN_2和MgSiN_2以正交晶系(α相)存在.施加压力之后,这两种材料会产生新的相(分别记作β相,γ相和δ相).运用密度泛函理论对材料的晶格参数进行了模拟;使用线性响应函数方法(密度泛函微扰理论)计算了材料的声子色散关系,得...自然条件下,BeSiN_2和MgSiN_2以正交晶系(α相)存在.施加压力之后,这两种材料会产生新的相(分别记作β相,γ相和δ相).运用密度泛函理论对材料的晶格参数进行了模拟;使用线性响应函数方法(密度泛函微扰理论)计算了材料的声子色散关系,得出:在无外界压力时,γ-BeSiN_2,δ-BeSiN_2和γ-MgSiN_2结构不稳定,而其余各相可以稳定存在.运用密度泛函理论(分别使用PBE泛函和HSE泛函)得到其能带结构:其中β-BeSiN_2和β-MgSiN_2具有直接带隙,而其他6种相都是间接带隙;之后运用多体微扰理论框架下的GW方法对BeSiN_2和MgSiN_2布里渊区高对称点的能量值进行了修正;其中α-MgSiN_2的带隙宽度为5.55 e V,和实验值5.6 e V吻合.展开更多
Optical excitations of the hybrids,which are assembled by coupling single-walled carbon nanotubes(SWCNTs)with organic molecules through van der Waals interactions,are studied using ab initio manybody Green’s function...Optical excitations of the hybrids,which are assembled by coupling single-walled carbon nanotubes(SWCNTs)with organic molecules through van der Waals interactions,are studied using ab initio manybody Green’s function theory.We take the semiconducting(7,0)SWCNT,the squarylium and oligothiophene molecules as the example.The E11 and E22 absorption peaks of the(7,0)tube can be redshifted by tens of meV.Most importantly,the lowest dark exciton of the(7,0)tube at the lower-energy side of E11 can be brightened by the interaction between the nanotube and molecules.Position of this new satellite absorption peak is influenced by the type of adsorbed molecule.These findings may be useful for tuning the emission energy and emission efficiency of CNTs.展开更多
This paper focuses on the relic gravity waves produced during the transition from a radiation-dominated inflationary phase to a dust-dominated Friedman-Robertson-Walker-type expansion. We discuss how to investigate th...This paper focuses on the relic gravity waves produced during the transition from a radiation-dominated inflationary phase to a dust-dominated Friedman-Robertson-Walker-type expansion. We discuss how to investigate the spectral energy density by the latest space-based CWs detectors at f =0.1 Hz （i.e. DECICO）. In the case of power-law and exponential inflation, we apply the cross-correlation method to the latest detector and get the time dependence of the very early Hubble pararneter.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant No.11872033)the Beijing Natural Science Foundation,China(Grant No.3172017)
文摘The simulation of real contact area between materials is foundationally important for the contact mechanics of mechanical structures. The Greenwood and Williamson(GW) model and the Majumdar(MB) model are the basic models in this field, which are widely accepted and proven to be valid in many experiments and engineering. Although the contact models have evolved considerably in recent years, the verifications of the models are most based on the indirect methods such as electrical conductivity and contact stiffness, because of the lack of effective methods to directly measure the variation of contact surface. In this paper, the total reflection(TR) method is introduced into the verification of contact models.An experiment system based on TR method is constructed to measure the real contact area of two PMMA specimens. The comparison analysis between the results of experiment and models suggests that the experiment result has the same trend with simulation, the MB model has better agreement with the experimental result because this method can take into account the variation of radius and the merging of asperities, while the GW model has a huge deviation because of the dependence on resolution and the lack of considering the variation of radius and asperity's merging process. Taking the interaction of asperities into account could give a better result that is closer to the experiment. Our results and analysis prove that the experimental methods in this paper could be used as a more direct and valid method to quantitatively measure the real contact area and to verify the contact models.
基金supported in part by the National Natural Science Founda-tion of China (Grant No 51075222)the Fund of State Key Laboratory of Tribology (Grant No SKLT10C02)the National Key Scientific and Technological Project (Grant No 2010ZX04004-116)
文摘The guide-weight method is introduced to solve two kinds of topology optimization problems with multiple loads in this paper.The guide-weight method and its Lagrange multipliers' solution methods are presented first,and the Lagrange multipliers' soution method of problems with multiple constraints is improved by the dual method.Then the iterative formulas of the guide-weight method for topology optimization problems of minimum compliance and minimum weight are derived and coresponding numerical examples are calculated.The results of the examples exhibits that when the guide-weight method is used to solve topology optimization problems with multiple loads,it works very well with simple iterative formulas,and has fast convergence and good solution.After comparison with the results calculated by the SCP method in Ansys,one can conclude that the guide-weight method is an effective method and it provides a new way for solving topology optimization problems.
基金supported by the National Natural Science Foundation of China(Grant No.51375251)the National Basic Research Program("973"Program)(Grant No.2013CB035400)of China
文摘The guide-weight method is introduced to solve the topology optimization problems of thermoelastic structures in this paper.First,the solid isotropic microstructure with penalization(SIMP)with different penalty factors is selected as a material interpolation model for the thermal and mechanical fields.The general criteria of the guide-weight method is then presented.Two types of iteration formulas of the guide-weight method are applied to the topology optimization of thermoelastic structures,one of which is to minimize the mean compliance of the structure with material constraint,whereas the other one is to minimize the total weight with displacement constraint.For each type of problem,sensitivity analysis is conducted based on SIMP model.Finally,four classical 2-dimensional numerical examples and a 3-dimensional numerical example considering the thermal field are selected to perform calculation.The factors that affect the optimal topology are discussed,and the performance of the guide-weight method is tested.The results show that the guide-weight method has the advantages of simple iterative formula,fast convergence and relatively clear topology result.
文摘Quasiparticle band structures of the defective anatase TiO2 bulk with O vacancy, Ti interstitial and H interstitial are investigated by the GW method within many-body Green＇s function theory. The computed direct band gap of the perfect anatase bulk is 4.3 eV, far larger than the experimental optical absorption edge （3.2 eV）. We found that this can be ascribed to the inherent defects in anatase which drag the conduction band （CB） edge down. The occupied band-gap states induced by these defects locate close to the CB edge, exclud- ing the possible contribution of these bulk defects to the deep band-gap state below CB as observed in experiments.
文摘自然条件下,BeSiN_2和MgSiN_2以正交晶系(α相)存在.施加压力之后,这两种材料会产生新的相(分别记作β相,γ相和δ相).运用密度泛函理论对材料的晶格参数进行了模拟;使用线性响应函数方法(密度泛函微扰理论)计算了材料的声子色散关系,得出:在无外界压力时,γ-BeSiN_2,δ-BeSiN_2和γ-MgSiN_2结构不稳定,而其余各相可以稳定存在.运用密度泛函理论(分别使用PBE泛函和HSE泛函)得到其能带结构:其中β-BeSiN_2和β-MgSiN_2具有直接带隙,而其他6种相都是间接带隙;之后运用多体微扰理论框架下的GW方法对BeSiN_2和MgSiN_2布里渊区高对称点的能量值进行了修正;其中α-MgSiN_2的带隙宽度为5.55 e V,和实验值5.6 e V吻合.
基金supported by the National Natural Science Foundation of China(No.21833004)。
文摘Optical excitations of the hybrids,which are assembled by coupling single-walled carbon nanotubes(SWCNTs)with organic molecules through van der Waals interactions,are studied using ab initio manybody Green’s function theory.We take the semiconducting(7,0)SWCNT,the squarylium and oligothiophene molecules as the example.The E11 and E22 absorption peaks of the(7,0)tube can be redshifted by tens of meV.Most importantly,the lowest dark exciton of the(7,0)tube at the lower-energy side of E11 can be brightened by the interaction between the nanotube and molecules.Position of this new satellite absorption peak is influenced by the type of adsorbed molecule.These findings may be useful for tuning the emission energy and emission efficiency of CNTs.
基金Supported by the National Basic Research Program of China under Grant No. 2003 CB 716300the National Natural Science Foundation of China under Grant No. 10575140+2 种基金CAEP Foundation under Grant No. 2008T0401 and 2008T0402Chongqing University Postgraduates Science and Innovation Fund, Project No. 200811B1A0100299Chinese State Scholarship Fund
文摘This paper focuses on the relic gravity waves produced during the transition from a radiation-dominated inflationary phase to a dust-dominated Friedman-Robertson-Walker-type expansion. We discuss how to investigate the spectral energy density by the latest space-based CWs detectors at f =0.1 Hz （i.e. DECICO）. In the case of power-law and exponential inflation, we apply the cross-correlation method to the latest detector and get the time dependence of the very early Hubble pararneter.
