Thermally activated delayed fluorescence(TADF)molecules have outstanding potential for applications in organic light-emitting diodes(OLEDs).Due to the lack of systematic studies on the correlation between molecular st...Thermally activated delayed fluorescence(TADF)molecules have outstanding potential for applications in organic light-emitting diodes(OLEDs).Due to the lack of systematic studies on the correlation between molecular structure and luminescence properties,TADF molecules are far from meeting the needs of practical applications in terms of variety and number.In this paper,three twisted TADF molecules are studied and their photophysical properties are theoretically predicted based on the thermal vibrational correlation function method combined with multiscale calculations.The results show that all the molecules exhibit fast reverse intersystem crossing(RISC)rates(kRISC),predicting their TADF luminescence properties.In addition,the binding of DHPAzSi as the donor unit with different acceptors can change the dihedral angle between the ground and excited states,and the planarity of the acceptors is positively correlated with the reorganization energy,a property that has a strong influence on the non-radiative process.Furthermore,a decrease in the energy of the molecular charge transfer state and an increase in the kRISC were observed in the films.This study not only provides a reliable explanation for the observed experimental results,but also offers valuable insights that can guide the design of future TADF molecules.展开更多
Investigating the blast effects and mechanisms on typical finite-sized obstacles is essential for optimizing defense strategies and designing more robust barriers to deter terrorists and protect critical locations.Thi...Investigating the blast effects and mechanisms on typical finite-sized obstacles is essential for optimizing defense strategies and designing more robust barriers to deter terrorists and protect critical locations.This study investigates the blasting effects and underlying mechanisms of concrete frustums subjected to contact explosions,employing both numerical simulations and field tests.It focuses on the effects of top and side blasting,with particular emphasis on fracture modes,damage patterns,and fragment sizes,as well as the causes of different failure modes and the propagation of stress waves.The study also explores the blasting effects of detonating explosives at varying positions along the side and with different charge amounts.The results show that side-blasting leads to complete fragmentation,with tensile waves playing a significant role in creating extensive damage zones that propagate parallel to the frustum's outer surface,concentrating damage near the surface.During top-blasting,the upper half of the frustum undergoes fragmentation,while the lower half experiences cracking.Tensile waves propagate from the top to the bottom surface,forming larger blocks in regions with lower wave intensity.Three distinct damage zones within the frustum were identified,and a series of mathematical formulas were derived to describe the relationship between the maximum fragment size and charge mass.As the charge mass increased from 1.0 kg to 4.0 kg,the maximum fragment size decreased.Detonation at the center of the frustum's side resulted in the most severe fragmentation,with a 51.8%reduction in fragment size compared to other detonation positions.Finally,four broken modes were classified,each influenced by charge mass and explosive location.This study provides valuable insights for optimizing civil blasting operations and designing protective engineering structures.展开更多
In complex systems,functional dependency and physical dependency may have a coupling effect.In this paper,the reliability of a k-out-of-n system is analyzed considering load-sharing effect and failure mechanism(FM)pro...In complex systems,functional dependency and physical dependency may have a coupling effect.In this paper,the reliability of a k-out-of-n system is analyzed considering load-sharing effect and failure mechanism(FM)propagation.Three types of FMs are considered and an accumulative damage model is proposed to illustrate the system behavior of the k-out-of-n system and the coupling effect between load-sharing effect and FM propagation effect.A combinational algorithm based on Binary decision diagram(BDD)and Monte-Carlo simulation is presented to evaluate the complex system behavior and reliability of the k-out-of-n system.A current stabilizing system that consists of a 3-out-of-6 subsystem with FM propagation effect is presented as a case to illustrate the complex behavior and to verify the applicability of the proposed method.Due to the coupling effect change,the main mechanism and failure mode will be changed,and the system lifetime is shortened.Reasons are analyzed and results show that different sensitivity factors of three different FMs lead to the change of the development rate,thus changing the failure scenario.Neglecting the coupling effect may lead to an incomplete and ineffective measuring and monitoring plan.Design strategies must be adopted to make the FM propagation insensitive to load-sharing effect.展开更多
Traffic engineering such as tunnels in various altitudinal gradient zone are at risk of accidental explosion,which can damage personnel and equipment.Accurate prediction of the distribution pattern of explosive loads ...Traffic engineering such as tunnels in various altitudinal gradient zone are at risk of accidental explosion,which can damage personnel and equipment.Accurate prediction of the distribution pattern of explosive loads and shock wave propagation process in semi-enclosed structures at various altitude environment is key research focus in the fields of explosion shock and fluid dynamics.The effect of altitude on the propagation of shock waves in tunnels was investigated by conducting explosion test and numerical simulation.Based on the experimental and numerical simulation results,a prediction model for the attenuation of the peak overpressure of tunnel shock waves at different altitudes was established.The results showed that the peak overpressure decreased at the same measurement points in the tunnel entrance under the high altitude condition.In contrast,an increase in altitude accelerated the propagation speed of the shock wave in the tunnel.The average error between the peak shock wave overpressure obtained using the overpressure prediction formula and the measured test data was less than15%,the average error between the propagation velocity of shock waves predicted values and the test data is less than 10%.The method can effectively predict the overpressure attenuation of blast wave in tunnel at various altitudes.展开更多
The vibration problem of a fluid conveying cylindrical shell consisted of newly developed multi-scale hybrid nanocomposites is solved in the present manuscript within the framework of an analytical solution.The consis...The vibration problem of a fluid conveying cylindrical shell consisted of newly developed multi-scale hybrid nanocomposites is solved in the present manuscript within the framework of an analytical solution.The consistent material is considered to be made from an initial matrix strengthened via both macro-and nano-scale reinforcements.The influence of nanofillers’agglomeration,generated due to the high surface to volume ratio in nanostructures,is included by implementing Eshelby-Mori-Tanaka homogenization scheme.Afterwards,the equivalent material properties of the carbon nanotube reinforced(CNTR)nanocomposite are coupled with those of CFs within the framework of a modified rule of mixture.On the other hand,the influences of viscous flow are covered by extending the Navier-Stokes equation for cylinders.A cylindrical coordinate system is chosen and mixed with the infinitesimal strains of first-order shear deformation theory of shells to obtain the motion equations on the basis of the dynamic form of principle of virtual work.Next,the achieved governing equations will be solved by Galerkin’s method to reach the natural frequency of the structure for both simply supported and clamped boundary conditions.Presenting a set of illustrations,effects of each parameter on the dimensionless frequency of nanocomposite shells will be shown graphically.展开更多
This paper examined how microstructure influences the homogenized thermal conductivity of cellular structures and revealed a surface-induced size-dependent effect.This effect is linked to the porous microstructural fe...This paper examined how microstructure influences the homogenized thermal conductivity of cellular structures and revealed a surface-induced size-dependent effect.This effect is linked to the porous microstructural features of cellular structures,which stems from the degree of porosity and the distri-bution of the pores.Unlike the phonon-driven surface effect at the nanoscale,the macro-scale surface mechanism in thermal cellular structures is found to be the microstructure-induced changes in the heat conduction path based on fully resolved 3D numerical simulations.The surface region is determined by the microstructure,characterized by the intrinsic length.With the coupling between extrinsic and intrinsic length scales under the surface mechanism,a surface-enriched multiscale method was devel-oped to accurately capture the complex size-dependent thermal conductivity.The principle of scale separation required by classical multiscale methods is not necessary to be satisfied by the proposed multiscale method.The significant potential of the surface-enriched multiscale method was demon-strated through simulations of the effective thermal conductivity of a thin-walled metamaterial struc-ture.The surface-enriched multiscale method offers higher accuracy compared with the classical multiscale method and superior efficiency over high-fidelity finite element methods.展开更多
文摘Thermally activated delayed fluorescence(TADF)molecules have outstanding potential for applications in organic light-emitting diodes(OLEDs).Due to the lack of systematic studies on the correlation between molecular structure and luminescence properties,TADF molecules are far from meeting the needs of practical applications in terms of variety and number.In this paper,three twisted TADF molecules are studied and their photophysical properties are theoretically predicted based on the thermal vibrational correlation function method combined with multiscale calculations.The results show that all the molecules exhibit fast reverse intersystem crossing(RISC)rates(kRISC),predicting their TADF luminescence properties.In addition,the binding of DHPAzSi as the donor unit with different acceptors can change the dihedral angle between the ground and excited states,and the planarity of the acceptors is positively correlated with the reorganization energy,a property that has a strong influence on the non-radiative process.Furthermore,a decrease in the energy of the molecular charge transfer state and an increase in the kRISC were observed in the films.This study not only provides a reliable explanation for the observed experimental results,but also offers valuable insights that can guide the design of future TADF molecules.
基金the support provided by the Technology Innovation Project (Grant No. KYGYZB002201) for the research work
文摘Investigating the blast effects and mechanisms on typical finite-sized obstacles is essential for optimizing defense strategies and designing more robust barriers to deter terrorists and protect critical locations.This study investigates the blasting effects and underlying mechanisms of concrete frustums subjected to contact explosions,employing both numerical simulations and field tests.It focuses on the effects of top and side blasting,with particular emphasis on fracture modes,damage patterns,and fragment sizes,as well as the causes of different failure modes and the propagation of stress waves.The study also explores the blasting effects of detonating explosives at varying positions along the side and with different charge amounts.The results show that side-blasting leads to complete fragmentation,with tensile waves playing a significant role in creating extensive damage zones that propagate parallel to the frustum's outer surface,concentrating damage near the surface.During top-blasting,the upper half of the frustum undergoes fragmentation,while the lower half experiences cracking.Tensile waves propagate from the top to the bottom surface,forming larger blocks in regions with lower wave intensity.Three distinct damage zones within the frustum were identified,and a series of mathematical formulas were derived to describe the relationship between the maximum fragment size and charge mass.As the charge mass increased from 1.0 kg to 4.0 kg,the maximum fragment size decreased.Detonation at the center of the frustum's side resulted in the most severe fragmentation,with a 51.8%reduction in fragment size compared to other detonation positions.Finally,four broken modes were classified,each influenced by charge mass and explosive location.This study provides valuable insights for optimizing civil blasting operations and designing protective engineering structures.
基金This work was supported by the National Natural Science Foundation of China(61503014).
文摘In complex systems,functional dependency and physical dependency may have a coupling effect.In this paper,the reliability of a k-out-of-n system is analyzed considering load-sharing effect and failure mechanism(FM)propagation.Three types of FMs are considered and an accumulative damage model is proposed to illustrate the system behavior of the k-out-of-n system and the coupling effect between load-sharing effect and FM propagation effect.A combinational algorithm based on Binary decision diagram(BDD)and Monte-Carlo simulation is presented to evaluate the complex system behavior and reliability of the k-out-of-n system.A current stabilizing system that consists of a 3-out-of-6 subsystem with FM propagation effect is presented as a case to illustrate the complex behavior and to verify the applicability of the proposed method.Due to the coupling effect change,the main mechanism and failure mode will be changed,and the system lifetime is shortened.Reasons are analyzed and results show that different sensitivity factors of three different FMs lead to the change of the development rate,thus changing the failure scenario.Neglecting the coupling effect may lead to an incomplete and ineffective measuring and monitoring plan.Design strategies must be adopted to make the FM propagation insensitive to load-sharing effect.
基金financially supported by National Natural Science Foundation of China(Grant Nos.52378401,52278504)the Fundamental Research Funds for the Central Universities(Grant No.30922010918)。
文摘Traffic engineering such as tunnels in various altitudinal gradient zone are at risk of accidental explosion,which can damage personnel and equipment.Accurate prediction of the distribution pattern of explosive loads and shock wave propagation process in semi-enclosed structures at various altitude environment is key research focus in the fields of explosion shock and fluid dynamics.The effect of altitude on the propagation of shock waves in tunnels was investigated by conducting explosion test and numerical simulation.Based on the experimental and numerical simulation results,a prediction model for the attenuation of the peak overpressure of tunnel shock waves at different altitudes was established.The results showed that the peak overpressure decreased at the same measurement points in the tunnel entrance under the high altitude condition.In contrast,an increase in altitude accelerated the propagation speed of the shock wave in the tunnel.The average error between the peak shock wave overpressure obtained using the overpressure prediction formula and the measured test data was less than15%,the average error between the propagation velocity of shock waves predicted values and the test data is less than 10%.The method can effectively predict the overpressure attenuation of blast wave in tunnel at various altitudes.
文摘The vibration problem of a fluid conveying cylindrical shell consisted of newly developed multi-scale hybrid nanocomposites is solved in the present manuscript within the framework of an analytical solution.The consistent material is considered to be made from an initial matrix strengthened via both macro-and nano-scale reinforcements.The influence of nanofillers’agglomeration,generated due to the high surface to volume ratio in nanostructures,is included by implementing Eshelby-Mori-Tanaka homogenization scheme.Afterwards,the equivalent material properties of the carbon nanotube reinforced(CNTR)nanocomposite are coupled with those of CFs within the framework of a modified rule of mixture.On the other hand,the influences of viscous flow are covered by extending the Navier-Stokes equation for cylinders.A cylindrical coordinate system is chosen and mixed with the infinitesimal strains of first-order shear deformation theory of shells to obtain the motion equations on the basis of the dynamic form of principle of virtual work.Next,the achieved governing equations will be solved by Galerkin’s method to reach the natural frequency of the structure for both simply supported and clamped boundary conditions.Presenting a set of illustrations,effects of each parameter on the dimensionless frequency of nanocomposite shells will be shown graphically.
基金supported by the National Key Research and Development Program of China(Grant No.2021YFB1714600)the National Natural Science Foundation of China(Grant No.52175095)the Young Top-Notch Talent Cultivation Program of Hubei Province of China.
文摘This paper examined how microstructure influences the homogenized thermal conductivity of cellular structures and revealed a surface-induced size-dependent effect.This effect is linked to the porous microstructural features of cellular structures,which stems from the degree of porosity and the distri-bution of the pores.Unlike the phonon-driven surface effect at the nanoscale,the macro-scale surface mechanism in thermal cellular structures is found to be the microstructure-induced changes in the heat conduction path based on fully resolved 3D numerical simulations.The surface region is determined by the microstructure,characterized by the intrinsic length.With the coupling between extrinsic and intrinsic length scales under the surface mechanism,a surface-enriched multiscale method was devel-oped to accurately capture the complex size-dependent thermal conductivity.The principle of scale separation required by classical multiscale methods is not necessary to be satisfied by the proposed multiscale method.The significant potential of the surface-enriched multiscale method was demon-strated through simulations of the effective thermal conductivity of a thin-walled metamaterial struc-ture.The surface-enriched multiscale method offers higher accuracy compared with the classical multiscale method and superior efficiency over high-fidelity finite element methods.
