In this work,we employ electronic structure calculations and nonadiabatic dynamics simulations based on many-body Green function and BetheSalpeter equation(GW/BSE)methods to study excited-state properties of a zinc ph...In this work,we employ electronic structure calculations and nonadiabatic dynamics simulations based on many-body Green function and BetheSalpeter equation(GW/BSE)methods to study excited-state properties of a zinc phthalocyanine-fullerene(ZnPcC_(60))dyad with 6-6 and 5-6 configurations.In the former,the initially populated locally excited(LE)state of ZnPc is the lowest S1 state and thus,its subsequent charge separation is relatively slow.In contrast,in the latter,the S1 state is the LE state of C_(60)while the LE state of ZnPc is much higher in energy.There also exist several charge-transfer(CT)states between the LE states of ZnPc and C_(60).Thus,one can see apparent charge separation dynamics during excited-state relaxation dynamics from the LE state of ZnPc to that of C_(60).These points are verified in dynamics simulations.In the first 200 fs,there is a rapid excitation energy transfer from ZnPc to C_(60),followed by an ultrafast charge separation to form a CT intermediate state.This process is mainly driven by hole transfer from C_(60)to ZnPc.The present work demonstrates that different bonding patterns(i.e.5-6 and 6-6)of the C−N linker can be used to tune excited-state properties and thereto optoelectronic properties of covalently bonded ZnPc-C_(60)dyads.Methodologically,it is proven that combined GW/BSE nonadiabatic dynamics method is a practical and reliable tool for exploring photoinduced dynamics of nonperiodic dyads,organometallic molecules,quantum dots,nanoclusters,etc.展开更多
We propose a scheme for realizing a controlled geometric phase gate for two neutral atoms.We apply thestimulated Raman adiabatic passage to transfer atoms from their ground states into Rydberg excited states, and use ...We propose a scheme for realizing a controlled geometric phase gate for two neutral atoms.We apply thestimulated Raman adiabatic passage to transfer atoms from their ground states into Rydberg excited states, and use theRydberg interaction induced energy shifts to generate geometric phase and construct quantum gates.展开更多
Experimental research was conducted to understand heat transfer characteristic of pulsating heat pipe in this paper, and the PHP is made of high quality glass capillary tube. Under different fill ratio, heat transfer ...Experimental research was conducted to understand heat transfer characteristic of pulsating heat pipe in this paper, and the PHP is made of high quality glass capillary tube. Under different fill ratio, heat transfer rate and many other influence factors, the flow patterns were observed in the start-up, transition and stable stage. The effects of heating position on heat transfer were discussed. The experimental results indicate that no annular flow appears in top heating condition. Under different fall ratios and heat transfer rate, the flow pattern in PHP is transferred from bulk flow to semi-annular flow and annular flow, and the performance of heat transfer is improved for down heating case. The experimental results indicate that the total heat resistant of PHP is increased with fill ratio, and heat transfer rate achieves optimum at filling rate 50%. But for pulsating heat pipe with changing diameters the thermal resistance is higher than that with uniform diameters.展开更多
It is of great importance to improve the energy performance of the air-conditioning system for building energy conversation. Entransy provides a novel perspective to investigate the losses existing in the air-conditio...It is of great importance to improve the energy performance of the air-conditioning system for building energy conversation. Entransy provides a novel perspective to investigate the losses existing in the air-conditioning system. The progress of entransy analysis in the air-conditioning system is comprehensively investigated in the present study. Firstly missions and characteris- tics of the air-conditioning system are analyzed with emphasis on heat or mass transfer process. It is found that reducing the temperature difference, i.e. reducing the entransy dissipation helps to improve the performance. Entransy dissipations and thermal resistances of typical transfer processes in the air-conditioning system are presented. Characteristics of sensible heat transfer process and coupled heat and mass transfer processes are researched in terms of entransy dissipation analysis. Reasons leading to entransy dissipation are also clarified with the help of unmatched coefficient 4. Principles for reducing the entransy dissipation and constructing a high temperature cooling system are summarized on the basis of case studies in typical handling processes. It＇s recommended that reducing mixing process, improving match properties are main approaches to reduce the entransy dissipation. The present analysis is beneficial to casting light on the essence of the air-conditioning system and proposing novel approaches for performance optimization.展开更多
The combination of a microchannel heat sink with impinging jets and dimples(MHSIJD) can effectively improve the flow and heat transfer performance on the cooling surface of electronic devices with very high heat fluxe...The combination of a microchannel heat sink with impinging jets and dimples(MHSIJD) can effectively improve the flow and heat transfer performance on the cooling surface of electronic devices with very high heat fluxes. Based on the previous work by analysing the effect of dimple radius on the overall performance of MHSIJD, the effects of dimple height and arrangement were numerically analysed. The velocity distribution, pressure drop, and thermal performance of MHSIJD under various dimple heights and arrangements were presented. The results showed that: MHSIJD with higher dimples had better overall performance with dimple radius being fixed; creating a mismatch between the impinging hole and dimple can solve the issue caused by the drift phenomenon; the mismatch between the impinging hole and dimple did not exhibit better overall performance than a well-matched design.展开更多
基金support from the National Natural Science Foundation of China(No.21688102,No.21590801,and No.21520102005)support from Sichuan Science and Technology Program Grant(2020YJ0161)。
文摘In this work,we employ electronic structure calculations and nonadiabatic dynamics simulations based on many-body Green function and BetheSalpeter equation(GW/BSE)methods to study excited-state properties of a zinc phthalocyanine-fullerene(ZnPcC_(60))dyad with 6-6 and 5-6 configurations.In the former,the initially populated locally excited(LE)state of ZnPc is the lowest S1 state and thus,its subsequent charge separation is relatively slow.In contrast,in the latter,the S1 state is the LE state of C_(60)while the LE state of ZnPc is much higher in energy.There also exist several charge-transfer(CT)states between the LE states of ZnPc and C_(60).Thus,one can see apparent charge separation dynamics during excited-state relaxation dynamics from the LE state of ZnPc to that of C_(60).These points are verified in dynamics simulations.In the first 200 fs,there is a rapid excitation energy transfer from ZnPc to C_(60),followed by an ultrafast charge separation to form a CT intermediate state.This process is mainly driven by hole transfer from C_(60)to ZnPc.The present work demonstrates that different bonding patterns(i.e.5-6 and 6-6)of the C−N linker can be used to tune excited-state properties and thereto optoelectronic properties of covalently bonded ZnPc-C_(60)dyads.Methodologically,it is proven that combined GW/BSE nonadiabatic dynamics method is a practical and reliable tool for exploring photoinduced dynamics of nonperiodic dyads,organometallic molecules,quantum dots,nanoclusters,etc.
基金Supported by the National Natural Science Foundation of China under Grant No.10974028 the Doctoral Foundation of the Ministry of Education of China under Grant No.20093514110009+1 种基金 the Natural Science Foundation of Fujian Province under Grant No.2009J06002Funds from the State Key Laboratory Breeding Base of Photocatalysis,Fuzhou University
文摘We propose a scheme for realizing a controlled geometric phase gate for two neutral atoms.We apply thestimulated Raman adiabatic passage to transfer atoms from their ground states into Rydberg excited states, and use theRydberg interaction induced energy shifts to generate geometric phase and construct quantum gates.
基金the National Natural Science Foundation of China (No.50776006)Ministry of Education of China (No.107113)
文摘Experimental research was conducted to understand heat transfer characteristic of pulsating heat pipe in this paper, and the PHP is made of high quality glass capillary tube. Under different fill ratio, heat transfer rate and many other influence factors, the flow patterns were observed in the start-up, transition and stable stage. The effects of heating position on heat transfer were discussed. The experimental results indicate that no annular flow appears in top heating condition. Under different fall ratios and heat transfer rate, the flow pattern in PHP is transferred from bulk flow to semi-annular flow and annular flow, and the performance of heat transfer is improved for down heating case. The experimental results indicate that the total heat resistant of PHP is increased with fill ratio, and heat transfer rate achieves optimum at filling rate 50%. But for pulsating heat pipe with changing diameters the thermal resistance is higher than that with uniform diameters.
基金supported by National Natural Science Foundation of China(Grant Nos.51422808&51521005)the National Science&Technology Pillar Program during the 12th Five-year Plan Period(Grant No.2014BAJ02B01)the China Postdoctoral Science Foundation(Grant No.2015M570107)
文摘It is of great importance to improve the energy performance of the air-conditioning system for building energy conversation. Entransy provides a novel perspective to investigate the losses existing in the air-conditioning system. The progress of entransy analysis in the air-conditioning system is comprehensively investigated in the present study. Firstly missions and characteris- tics of the air-conditioning system are analyzed with emphasis on heat or mass transfer process. It is found that reducing the temperature difference, i.e. reducing the entransy dissipation helps to improve the performance. Entransy dissipations and thermal resistances of typical transfer processes in the air-conditioning system are presented. Characteristics of sensible heat transfer process and coupled heat and mass transfer processes are researched in terms of entransy dissipation analysis. Reasons leading to entransy dissipation are also clarified with the help of unmatched coefficient 4. Principles for reducing the entransy dissipation and constructing a high temperature cooling system are summarized on the basis of case studies in typical handling processes. It＇s recommended that reducing mixing process, improving match properties are main approaches to reduce the entransy dissipation. The present analysis is beneficial to casting light on the essence of the air-conditioning system and proposing novel approaches for performance optimization.
基金financially supported by the National Natural Science Foundation of China(Grant No.51778511)the Hubei Provincial Natural Science Foundation of China(Grant No.2018CFA029)the Key Project of ESI Discipline Development of Wuhan University of Technology(WUT Grant No.2017001)
文摘The combination of a microchannel heat sink with impinging jets and dimples(MHSIJD) can effectively improve the flow and heat transfer performance on the cooling surface of electronic devices with very high heat fluxes. Based on the previous work by analysing the effect of dimple radius on the overall performance of MHSIJD, the effects of dimple height and arrangement were numerically analysed. The velocity distribution, pressure drop, and thermal performance of MHSIJD under various dimple heights and arrangements were presented. The results showed that: MHSIJD with higher dimples had better overall performance with dimple radius being fixed; creating a mismatch between the impinging hole and dimple can solve the issue caused by the drift phenomenon; the mismatch between the impinging hole and dimple did not exhibit better overall performance than a well-matched design.
