This paper develops a new numerical framework for modeⅢcrack problems of thin-walled structures by integrating multiple advanced techniques in the boundary element literature.The details of special crack-tip elements...This paper develops a new numerical framework for modeⅢcrack problems of thin-walled structures by integrating multiple advanced techniques in the boundary element literature.The details of special crack-tip elements for displacement and stress are derived.An exponential transformation technique is introduced to accurately calculate the nearly singular integral,which is the key task of the boundary element simulation of thin-walled structures.Three numerical experiments with different types of cracks are provided to verify the performance of the present numerical framework.Numerical results demonstrate that the present scheme is valid for modeⅢcrack problems of thin-walled structures with the thickness-to-length ratio in the microscale,even nanoscale,regime.展开更多
An inter-story shear model of asymmetric base-isolated structures incorporating deformation of each isolation bearing was built, and a method to simultaneously simulate bi-directional near-fault and far-field ground m...An inter-story shear model of asymmetric base-isolated structures incorporating deformation of each isolation bearing was built, and a method to simultaneously simulate bi-directional near-fault and far-field ground motions was proposed. A comparative study on the dynamic responses of asymmetric base-isolated structures under near-fault and far-field ground motions were conducted to investigate the effects of eccentricity in the isolation system and in the superstructures, the ratio of the uncoupled torsional to lateral frequency of the superstructure and the pulse period of near-fault ground motions on the nonlinear seismic response of asymmetric base-isolated structures. Numerical results show that eccentricity in the isolation system makes asymmetric base-isolated structure more sensitive to near-fault ground motions, and the pulse period of near-fault ground motions plays an import role in governing the seismic responses of asymmetric base-isolated structures.展开更多
Nearly free electron （NFE） state has been widely studied in low dimensional systems. Based on first-principles calculations, we identify two types of NFE states in graphane nanoribbon superlattice, similar to those ...Nearly free electron （NFE） state has been widely studied in low dimensional systems. Based on first-principles calculations, we identify two types of NFE states in graphane nanoribbon superlattice, similar to those of graphene nanoribbons and boron nitride nanoribbons. Effect of electron doping on the NFE states in graphane nanoribbon superlattice has been studied, and it is possible to open a vacuum transport channel via electron doping.展开更多
Base isolation can effectively reduce the seismic forces on a superstructure, particularly in lowto medium-rise buildings. However, under strong near-fault ground motions, pounding may occur at the isolation level bet...Base isolation can effectively reduce the seismic forces on a superstructure, particularly in lowto medium-rise buildings. However, under strong near-fault ground motions, pounding may occur at the isolation level between the baseisolated building （BIB） and its surrounding retaining walls. To effectively investigate the behavior of the BIB pounding with adjacent structures, after assessing some commonly used impact models, a modified Kelvin impact model is proposed in this paper. Relevant parameters in the modified Kelvin model are theoretically derived and numerically verified through a simple pounding case. At the same time, inelasticity of the isolated superstructure is introduced in order to accurately evaluate the potential damage to the superstructure caused by the pounding of the BIB with adjacent structures. The reliability of the modified Kelvin impact model is validated through numerical comparisons with other impact models. However, the difference between the numerical results from the various impact analytical models is not significant. Many numerical simulations of BIBs are conducted to investigate the influence of various design parameters and conditions on the peak inter-story drifts and floor accelerations during pounding. It is shown that pounding can substantially increase floor accelerations, especially at the ground floor where impacts occur. Higher modes of vibration are excited during poundings, increasing the inter-story drifts instead of keeping a nearly rigid-body motion of the superstructure. Furthermore, higher ductility demands can be imposed on lower floors of the superstructure. Moreover, impact stiffness seems to play a significant role in the acceleration response at the isolation level and the inter-story drifts of lower floors of the superstructure. Finally, the numerical results show that excessive flexibility of the isolation system used to minimize the floor accelerations may cause the BIB to be more susceptible to pounding under a limited seismic gap.展开更多
A switching disturbance rejection attitude control law is proposed for a near space vehicle(NSV) with variable structure.The multiple flight modes, system uncertainties and disturbances of the NSV are taken into accou...A switching disturbance rejection attitude control law is proposed for a near space vehicle(NSV) with variable structure.The multiple flight modes, system uncertainties and disturbances of the NSV are taken into account based on switched nonlinear systems. Compared with traditional backstepping design methods,the proposed method utilizes the added integrals of attitude angle and angular rate tracking errors to further decrease the tracking errors. Moreover, to reduce the computation complexity, a rapid convergent differentiator is employed to obtain the derivative of the virtual control command. Finally, for disturbance rejection, based on the idea from the extended state observer(ESO), two disturbance observers are designed by using non-smooth functions to estimate the disturbances in the switched nonlinear systems. All signals of the closed-loop system are proven to be uniformly ultimately bounded under the Lyapunov function framework. Simulation results demonstrate the effectiveness of the proposed control scheme.展开更多
This paper reports how pyrite films were prepared by thermal sulfurization of magnetron sputtered iron films and characterized by X-ray absorption near edge structure spectra and X-ray photoelectron spectroscopy on a ...This paper reports how pyrite films were prepared by thermal sulfurization of magnetron sputtered iron films and characterized by X-ray absorption near edge structure spectra and X-ray photoelectron spectroscopy on a 4B9B beam line at the Beijing Synchrotron Radiation Facility. The band gap of the pyrite agrees well with the optical band gap obtained by a spectrophotometer. The octahedral symmetry of pyrite leads to the splitting of the d orbit into t2g and eg levels. The high spin and low spin states were analysed through the difference of electron exchange interaction and the orbital crystal field. Only when the crystal field splitting is higher than 1.5 eV, the two weak peaks above the white lines can appear, and this was approved by experiments in the present work.展开更多
The weak pre-edge features in the Mn K-edge X-ray absorption near-edge structure (XANES) spectrumof manganese monoxide (MnO) were investigated by comparing experimental data with dipolar and quadrupolarcross-section c...The weak pre-edge features in the Mn K-edge X-ray absorption near-edge structure (XANES) spectrumof manganese monoxide (MnO) were investigated by comparing experimental data with dipolar and quadrupolarcross-section calculations in the framework of multiple-scattering theory. We assign the first pre-edge feature to a di-rect quadrupolar transition from Is core state to 3d molecular orbitals of the central atom, e.g., the lowest in energy,due to the more effective attraction of the core hole. The second peak in this region arises unambiguously from thehybridization between p-orbitals of the central atom with higher-shell metal octahedral orbitals.展开更多
The local configurations around metal ions in metalloproteins are of great significance for understanding their biolog- ical functions. Cu2＋/histidine （His） is a typical complex existing in many metalloproteins and...The local configurations around metal ions in metalloproteins are of great significance for understanding their biolog- ical functions. Cu2＋/histidine （His） is a typical complex existing in many metalloproteins and plays an important role in lots of physiological functions. The three-dimensional （3D） structural configurations of Cu2＋/His complexes at different pH values （2.5, 6.5, and 8.5） are quantitatively determined by x-ray absorption near-edge structure （XANES）. Generally Cu2＋/His complex keeps an octahedral configuration consisting of oxygen atoms from water molecules and oxygen or nitrogen atoms from histidine molecules coordinated around Cu2＋. It is proved in this work that the oxygen atoms from water molecules, when increasing the pH value from acid to basic value, are gradually substituted by the Ocarboxy1, Nam, and Nim from hisitidine molecules. Furthermore, the symmetries of Cu2＋/His complexes at pH 6.5 and pH 8.5 are found to be lower than at pH 2.5.展开更多
This study focuses on non-linear seismic response of concrete gravity quay-wall structures subjected to near-fault ground motions, a subject which seems not to have received much attention in the literature. A two-dim...This study focuses on non-linear seismic response of concrete gravity quay-wall structures subjected to near-fault ground motions, a subject which seems not to have received much attention in the literature. A two-dimensional coupled fluid-structure-soil finite element modelling is employed to obtain the quay-wall response. The seawater medium is represented by acoustic type, potential based fluid elements. The elasto-plastic behavior of the soil medium is idealized using Drucker-Prager yield criterion based on associated flow rule assumption. Four nodded plane strain elements are used to model the concrete wall, foundation, subsoil, backfill and seabed zones. Fluid Structure Interface （FSI） elements are considered between the seawater interfaces with the quay-wall and the seabed. Frictional contact elements are employed between the wall and soil interfaces. The numerical model is validated using field measurements available for permanent drifts in a quay-wall damaged during Kobe earthquake. Reasonable agreements are obtained between the model predictions and the field measurements. Non-linear seismic analyses of the selected quay-wall subjected to both near-fault and far-fault ground motions are performed. An incremental dynamic analysis approach （IDA） is used. In general, at least for models examined in the current study, the gravity quay-walls are found to be more vulnerable to near-field, in comparison with the corresponding far-field, earthquakes.展开更多
The chemisorbed structure for an aromatic molecule on a silicon surface plays an important part in promoting the development of organic semiconductor material science. The carbon K-shell x-ray photoelectron spectrosc...The chemisorbed structure for an aromatic molecule on a silicon surface plays an important part in promoting the development of organic semiconductor material science. The carbon K-shell x-ray photoelectron spectroscopy（XPS） and the x-ray absorption near-edge structure（XANES） spectra of the interfacial structure of an s-triazine molecule adsorbed on Si（100） surface have been performed by the first principles, and the landscape of the s-triazine molecule on Si（100） surface has been described in detail. Both the XPS and XANES spectra have shown their dependence on different structures for the pristine s-triazine molecule and its several possible adsorbed configurations. By comparison with the XPS spectra, the XANES spectra display the strongest structural dependency of all of the studied systems and thus could be well applied to identify the chemisorbed s-triazine derivatives. The exploration of spectral components originated from non-equivalent carbons in disparate local environments has also been implemented for both the XPS and XANES spectra of s-triazine adsorbed configurations.展开更多
A multiple-scattering chtster method is employed to calculate the oxygen K-edge near-edge X-ray absorption fine structure of N20/Ir（110） and its monolayer. Two peaks and one weak resonance appear in both cases. The ...A multiple-scattering chtster method is employed to calculate the oxygen K-edge near-edge X-ray absorption fine structure of N20/Ir（110） and its monolayer. Two peaks and one weak resonance appear in both cases. The self- consistent field DV-Xa calculations of the peaks and resonance show that the physical origin of the pre-edge peak x is different from those of the main peak 1 and the other weak resonance al. This setup is intrinsic to the N20 monolayer, owing to the interaction between the neighbouring molecular chains in the monolayer and partly to the adsorbed atomic oxygen, according to both the theoretical and experimental data.展开更多
基金supported by the National Natural Science Foundation of China(No.11802165)the China Postdoctoral Science Foundation(Grant No.2019M650158).
文摘This paper develops a new numerical framework for modeⅢcrack problems of thin-walled structures by integrating multiple advanced techniques in the boundary element literature.The details of special crack-tip elements for displacement and stress are derived.An exponential transformation technique is introduced to accurately calculate the nearly singular integral,which is the key task of the boundary element simulation of thin-walled structures.Three numerical experiments with different types of cracks are provided to verify the performance of the present numerical framework.Numerical results demonstrate that the present scheme is valid for modeⅢcrack problems of thin-walled structures with the thickness-to-length ratio in the microscale,even nanoscale,regime.
基金The National Natural Science Foundation of China (No. 50778078)
文摘An inter-story shear model of asymmetric base-isolated structures incorporating deformation of each isolation bearing was built, and a method to simultaneously simulate bi-directional near-fault and far-field ground motions was proposed. A comparative study on the dynamic responses of asymmetric base-isolated structures under near-fault and far-field ground motions were conducted to investigate the effects of eccentricity in the isolation system and in the superstructures, the ratio of the uncoupled torsional to lateral frequency of the superstructure and the pulse period of near-fault ground motions on the nonlinear seismic response of asymmetric base-isolated structures. Numerical results show that eccentricity in the isolation system makes asymmetric base-isolated structure more sensitive to near-fault ground motions, and the pulse period of near-fault ground motions plays an import role in governing the seismic responses of asymmetric base-isolated structures.
基金This work was supported by the National Natural Science Foundation of China （No.20933006, No.20803071, and No.50721091）, the Ministry of Science and Technology （No.2011CB921404）, and Super Computer Center of University of Science and Technology of China, Supercomputing Center of Chinese Academy of Science, and Shanghai Supercomputer Center.
文摘Nearly free electron （NFE） state has been widely studied in low dimensional systems. Based on first-principles calculations, we identify two types of NFE states in graphane nanoribbon superlattice, similar to those of graphene nanoribbons and boron nitride nanoribbons. Effect of electron doping on the NFE states in graphane nanoribbon superlattice has been studied, and it is possible to open a vacuum transport channel via electron doping.
基金National Natural Science Foundation of China Under Grant No.50778077 and 50878093
文摘Base isolation can effectively reduce the seismic forces on a superstructure, particularly in lowto medium-rise buildings. However, under strong near-fault ground motions, pounding may occur at the isolation level between the baseisolated building （BIB） and its surrounding retaining walls. To effectively investigate the behavior of the BIB pounding with adjacent structures, after assessing some commonly used impact models, a modified Kelvin impact model is proposed in this paper. Relevant parameters in the modified Kelvin model are theoretically derived and numerically verified through a simple pounding case. At the same time, inelasticity of the isolated superstructure is introduced in order to accurately evaluate the potential damage to the superstructure caused by the pounding of the BIB with adjacent structures. The reliability of the modified Kelvin impact model is validated through numerical comparisons with other impact models. However, the difference between the numerical results from the various impact analytical models is not significant. Many numerical simulations of BIBs are conducted to investigate the influence of various design parameters and conditions on the peak inter-story drifts and floor accelerations during pounding. It is shown that pounding can substantially increase floor accelerations, especially at the ground floor where impacts occur. Higher modes of vibration are excited during poundings, increasing the inter-story drifts instead of keeping a nearly rigid-body motion of the superstructure. Furthermore, higher ductility demands can be imposed on lower floors of the superstructure. Moreover, impact stiffness seems to play a significant role in the acceleration response at the isolation level and the inter-story drifts of lower floors of the superstructure. Finally, the numerical results show that excessive flexibility of the isolation system used to minimize the floor accelerations may cause the BIB to be more susceptible to pounding under a limited seismic gap.
基金supported by the National Natural Science Foundation of China(61374012)the Aeronautical Science Foundation of China(2016ZA51011)
文摘A switching disturbance rejection attitude control law is proposed for a near space vehicle(NSV) with variable structure.The multiple flight modes, system uncertainties and disturbances of the NSV are taken into account based on switched nonlinear systems. Compared with traditional backstepping design methods,the proposed method utilizes the added integrals of attitude angle and angular rate tracking errors to further decrease the tracking errors. Moreover, to reduce the computation complexity, a rapid convergent differentiator is employed to obtain the derivative of the virtual control command. Finally, for disturbance rejection, based on the idea from the extended state observer(ESO), two disturbance observers are designed by using non-smooth functions to estimate the disturbances in the switched nonlinear systems. All signals of the closed-loop system are proven to be uniformly ultimately bounded under the Lyapunov function framework. Simulation results demonstrate the effectiveness of the proposed control scheme.
基金Project supported by the National Natural Science Foundation of China (Grant No 102750770)
文摘This paper reports how pyrite films were prepared by thermal sulfurization of magnetron sputtered iron films and characterized by X-ray absorption near edge structure spectra and X-ray photoelectron spectroscopy on a 4B9B beam line at the Beijing Synchrotron Radiation Facility. The band gap of the pyrite agrees well with the optical band gap obtained by a spectrophotometer. The octahedral symmetry of pyrite leads to the splitting of the d orbit into t2g and eg levels. The high spin and low spin states were analysed through the difference of electron exchange interaction and the orbital crystal field. Only when the crystal field splitting is higher than 1.5 eV, the two weak peaks above the white lines can appear, and this was approved by experiments in the present work.
基金One of the authors(WU Zi-Yu)acknowledges the financial support of the 100-Talent Research Program of the Chinese Academy of Sciences and of the Outstanding Youth Fund(10125523)the Key Important Nano-Research Project(90206032)of the National Natural Science Founda tion of China.
文摘The weak pre-edge features in the Mn K-edge X-ray absorption near-edge structure (XANES) spectrumof manganese monoxide (MnO) were investigated by comparing experimental data with dipolar and quadrupolarcross-section calculations in the framework of multiple-scattering theory. We assign the first pre-edge feature to a di-rect quadrupolar transition from Is core state to 3d molecular orbitals of the central atom, e.g., the lowest in energy,due to the more effective attraction of the core hole. The second peak in this region arises unambiguously from thehybridization between p-orbitals of the central atom with higher-shell metal octahedral orbitals.
基金supported by the National Natural Science Foundation of China(Grant No.11205186)
文摘The local configurations around metal ions in metalloproteins are of great significance for understanding their biolog- ical functions. Cu2＋/histidine （His） is a typical complex existing in many metalloproteins and plays an important role in lots of physiological functions. The three-dimensional （3D） structural configurations of Cu2＋/His complexes at different pH values （2.5, 6.5, and 8.5） are quantitatively determined by x-ray absorption near-edge structure （XANES）. Generally Cu2＋/His complex keeps an octahedral configuration consisting of oxygen atoms from water molecules and oxygen or nitrogen atoms from histidine molecules coordinated around Cu2＋. It is proved in this work that the oxygen atoms from water molecules, when increasing the pH value from acid to basic value, are gradually substituted by the Ocarboxy1, Nam, and Nim from hisitidine molecules. Furthermore, the symmetries of Cu2＋/His complexes at pH 6.5 and pH 8.5 are found to be lower than at pH 2.5.
文摘This study focuses on non-linear seismic response of concrete gravity quay-wall structures subjected to near-fault ground motions, a subject which seems not to have received much attention in the literature. A two-dimensional coupled fluid-structure-soil finite element modelling is employed to obtain the quay-wall response. The seawater medium is represented by acoustic type, potential based fluid elements. The elasto-plastic behavior of the soil medium is idealized using Drucker-Prager yield criterion based on associated flow rule assumption. Four nodded plane strain elements are used to model the concrete wall, foundation, subsoil, backfill and seabed zones. Fluid Structure Interface （FSI） elements are considered between the seawater interfaces with the quay-wall and the seabed. Frictional contact elements are employed between the wall and soil interfaces. The numerical model is validated using field measurements available for permanent drifts in a quay-wall damaged during Kobe earthquake. Reasonable agreements are obtained between the model predictions and the field measurements. Non-linear seismic analyses of the selected quay-wall subjected to both near-fault and far-fault ground motions are performed. An incremental dynamic analysis approach （IDA） is used. In general, at least for models examined in the current study, the gravity quay-walls are found to be more vulnerable to near-field, in comparison with the corresponding far-field, earthquakes.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11874242,11804196,and 11804197)
文摘The chemisorbed structure for an aromatic molecule on a silicon surface plays an important part in promoting the development of organic semiconductor material science. The carbon K-shell x-ray photoelectron spectroscopy（XPS） and the x-ray absorption near-edge structure（XANES） spectra of the interfacial structure of an s-triazine molecule adsorbed on Si（100） surface have been performed by the first principles, and the landscape of the s-triazine molecule on Si（100） surface has been described in detail. Both the XPS and XANES spectra have shown their dependence on different structures for the pristine s-triazine molecule and its several possible adsorbed configurations. By comparison with the XPS spectra, the XANES spectra display the strongest structural dependency of all of the studied systems and thus could be well applied to identify the chemisorbed s-triazine derivatives. The exploration of spectral components originated from non-equivalent carbons in disparate local environments has also been implemented for both the XPS and XANES spectra of s-triazine adsorbed configurations.
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 10904134 and 10802083)
文摘A multiple-scattering chtster method is employed to calculate the oxygen K-edge near-edge X-ray absorption fine structure of N20/Ir（110） and its monolayer. Two peaks and one weak resonance appear in both cases. The self- consistent field DV-Xa calculations of the peaks and resonance show that the physical origin of the pre-edge peak x is different from those of the main peak 1 and the other weak resonance al. This setup is intrinsic to the N20 monolayer, owing to the interaction between the neighbouring molecular chains in the monolayer and partly to the adsorbed atomic oxygen, according to both the theoretical and experimental data.
