Quantum mechanics and molecular dynamics are used to simulate guanidinium ionic liquids. Results show that the stronger interaction exists between guanidine cation and chlorine anion with interaction energy about 109....Quantum mechanics and molecular dynamics are used to simulate guanidinium ionic liquids. Results show that the stronger interaction exists between guanidine cation and chlorine anion with interaction energy about 109.216 kcal/mol. There are two types of spatial distribution for the title system: middle and top. Middle mode is a more stable conformation according to energy and geometric distribution. It is also verified by radial distribution function. The continuous increase of carbon dioxide (CO2) does not affect the structure of ionic liquids, but CO2 molecules are always captured by the cavity of ionic liquids.展开更多
The quantum nature of bulk ensemble NMR quantum computing — the center of recent heated debate, is addressed. Concepts of the mixed state and entanglement are examined, and the data in a two-qubit liquid NMR quantum ...The quantum nature of bulk ensemble NMR quantum computing — the center of recent heated debate, is addressed. Concepts of the mixed state and entanglement are examined, and the data in a two-qubit liquid NMR quantum computation are analyzed. The main points in this paper are: i) Density matrix describes the 'state' of an average particle in an ensemble. It does not describe the state of an individual particle in an ensemble; ii) Entanglement is a property of the wave function of a microscopic particle (such as a molecule in a liquid NMR sample), and separability of the density matrix cannot be used to measure the entanglement of mixed ensemble; iii) The state evolution in bulk-ensemble NMR quantum computation is quantum-mechanical; iv) The coefficient before the effective pure state density matrix, ?, is a measure of the simultaneity of the molecules in an ensemble. It reflects the intensity of the NMR signal and has no significance in quantifying the entanglement in the bulk ensemble NMR system. The decomposition of the density matrix into product states is only an indication that the ensemble can be prepared by an ensemble with the particles unentangled. We conclude that effective-pure-state NMR quantum computation is genuine, not just classical simulations.展开更多
The Monte Carlo Hamiltonian method developed recently allows to investigate the ground state and low-lying excited states of a quantum system,using Monte Carlo(MC)algorithm with importance sampling.However,conventiona...The Monte Carlo Hamiltonian method developed recently allows to investigate the ground state and low-lying excited states of a quantum system,using Monte Carlo(MC)algorithm with importance sampling.However,conventional MC algorithm has some difficulties when applied to inverse potentials.We propose to use effective potential and extrapolation method to solve the problem.We present examples from the hydrogen system.展开更多
AIM: To study the prolonged colonic motility under normal conditions with a novel capsule-style microsystem and to assess its clinical significance. METHODS: A single use telemetry capsule (10 mm in diameter, 20 mm...AIM: To study the prolonged colonic motility under normal conditions with a novel capsule-style microsystem and to assess its clinical significance. METHODS: A single use telemetry capsule (10 mm in diameter, 20 mm in length) embedded with a pressure sensor was ingested by the subjects. The sensor is capable of transmitting colonic pressure wirelessly for more than 130 h. The time of capsule entering the segmental colon was detected by ultrasound. The ultrasonic electrodes were mounted on the surface of the ileocecum and navel and at the junction of the left and rectosigmoid colon of the subjects in sequence, which were identified by abdominal X-rays with radiopaque markers. To verify the accuracy and reliability of ultrasonic detection of telemetry capsules at key points of colon, the segmental colonic transit time was simultaneously recorded by using radiopaque markers. RESULTS: The signal lamp showed that all recorders could receive the radio signal transmitted by the telemetry capsule. The X-rays showed that all telemetry capsules were detected successfully when they were passing through the key points of colon. There was a significant correlation between the transit results obtained by ultrasonic detection or by radiopaque markers. Colorectal recording was obtained from 20 healthy subjects during 613 h (411 h during waking, 202 h during sleep). Compared to waking, the number of pressure contractions and the area under pressure contractions were significantly (P 〈 0.05) decreased during sleep (21 ± 5 h^-vs 15 ± 4 h1, 463 ± 54 mmHg·/min vs 342 ± 45 mmHg·/min). The colonic motility exhibited significant regional variations both in the circadian behavior and in response to waking and meal. CONCLUSION: The capsule-style micro-system is reliable and noninvasive, and may represent a useful tool for the study of physiology and pathology of colonic motor disorders.展开更多
The characteristics of the fluidic flowmeter,which is a combination of impinged concave wall and bistable fluid amplifier,is investigated by experimental studies and numerical simulations. The numerical approaches are...The characteristics of the fluidic flowmeter,which is a combination of impinged concave wall and bistable fluid amplifier,is investigated by experimental studies and numerical simulations. The numerical approaches are utilized to examine the time dependent flow field and pressure field inside the proposed flowmeter. The effect of varying structural parameters on flow characteristics of the proposed fluidic flowmeter is investigated by computational simulations for the optimization. Both the simulation and experimental results disclose that the hydrodynamic vibration,with the same intensity,frequency and 180° phase shift,occurs at axisymmetric points in the feedback channel of the fluidic flowmeter. Using the structural combination of impinged concave wall and bistable fluid amplifier and differential signal processing technique,a novel fluidic flowmeter with excellent immunity and improved sensibility is developed.展开更多
The boreal spring Antarctic Oscillation(AAO)has a significant impact on the spring and summer climate in China.This study evaluates the capability of the NCEP's Climate Forecast System,version 2(CFSv2),in predicti...The boreal spring Antarctic Oscillation(AAO)has a significant impact on the spring and summer climate in China.This study evaluates the capability of the NCEP's Climate Forecast System,version 2(CFSv2),in predicting the boreal spring AAO for the period 1983-2015.The results indicate that CFSv2 has poor skill in predicting the spring AAO,failing to predict the zonally symmetric spatial pattern of the AAO,with an insignificant correlation of 0.02 between the predicted and observed AAO Index(AAOI).Considering the interannual increment approach can amplify the prediction signals,we firstly establish a dynamical-statistical model to improve the interannual increment of the AAOI(DY AAOI),with two predictors of CFSv2-forecasted concurrent spring sea surface temperatures and observed preceding autumn sea ice.This dynamical-statistical model demonstrates good capability in predicting DY AAOI,with a significant correlation coeffcient of 0.58 between the observation and prediction during 1983-2015 in the two-year-out cross-validation.Then,we obtain an improved AAOI by adding the improved DY AAOI to the preceding observed AAOI.The improved AAOI shows a significant correlation coeffcient of 0.45 with the observed AAOI during 1983-2015.Moreover,the unrealistic atmospheric response to March-April-May sea ice in CFSv2 may be the possible cause for the failure of CFSv2 to predict the AAO.This study gives new clues regarding AAO prediction and short-term climate prediction.展开更多
This paper shows that exact calculation for transition probability can make some systems deviate fromFermi golden rule seriously. This paper also shows that the corresponding exact calculation of hopping rate inducedb...This paper shows that exact calculation for transition probability can make some systems deviate fromFermi golden rule seriously. This paper also shows that the corresponding exact calculation of hopping rate inducedby phonons for deuteron in Pd-D system with the many-body electron screening, proposed by Ichimaru, can explainthe experimental fact observed in Pd-D system, and predicts that perfection and low-dimension of Pd lattice are veryimportant for the phonon-induced hopping rate enhancement in Pd-D system.展开更多
We evaluated the effect of various error sources in fishery harvest/effort data on the maximum sustainable yield (MSY) and corresponding fishing effort (EMsv) using Monte Carlo simulation analyses. A high coeffici...We evaluated the effect of various error sources in fishery harvest/effort data on the maximum sustainable yield (MSY) and corresponding fishing effort (EMsv) using Monte Carlo simulation analyses. A high coefficient of variation (CV) of the catch and effort values biased the estimates of MSY and EMsv. Thus, the state of the fisheries resource and its exploitation was overestimated. We compared the effect using three surplus production models, Hilborn-Waters (H-W), Schnute, and Prager models. The estimates generated using the H-W model were significantly affected by the CV. The Schnute model was least affected by errors in the underlying data. The CVof the catch data had a greater impact on the assessment than the CV of the fishing effort. Similarly, the changes in CV had a greater impact on the estimated maximum sustainable yield (MSY) than on the corresponding estimate of fishing effort (EMsY). We discuss the likely effect of these biases on management efforts and provide suggestions for the improvement of fishery evaluations.展开更多
To investigate the influence of bluff body shape on wall pressure distribution in a vortex flowmeter,experiments were conducted on a specially designed test section in a closed water rig at Reynolds numbers of 6.2...To investigate the influence of bluff body shape on wall pressure distribution in a vortex flowmeter,experiments were conducted on a specially designed test section in a closed water rig at Reynolds numbers of 6.2×10 4-9.3×10 4.The cross sections of the bluff bodies were semicircular,square,and triangular shaped,and there were totally 21 pressure tappings along the conduit to acquire the wall pressures.It is found that the variation trends of wall pressures are basically identical regardless of the bluff body shapes.The wall pressures begin to diverge from 0.3D(D is the inner diameter of the vortex flowmeter) in front of the bluff body due to the diversity in shape,and all reach the minimum values at 0.3D behind the bluff body.A discrepancy between the triangular or square cylinder and the semicircular cylinder in wall pressure change is observed at 0-0.1D behind the bluff body.It is also found that the wall pressures and irrecoverable pressure loss coefficients increase with flow rates,and the triangular cylinder causes the smallest irrecoverable pressure loss at a fixed flow rate.展开更多
For a single cylinder engine, the total unbalanced inertial forces occur in the engine block, which results in engine’s vibration and deteriorated noise. In order to eliminate the unbalanced forces, counterweight and...For a single cylinder engine, the total unbalanced inertial forces occur in the engine block, which results in engine’s vibration and deteriorated noise. In order to eliminate the unbalanced forces, counterweight and primary balance shaft should be attached to the cylinder block so that engine durability and ride comfortability may be further improved. Traditionally one third of connecting rod assembly’s mass is treated as reciprocating mass, and two thirds as rotating mass when designing balance mechanism. In this paper, a new method based on the multibody dynamics simulation is introduced to separate the reciprocating mass and rotating mass of connecting rod assembly. The model consists of crankshaft, connecting rod, piston and the simulation is performed subsequently. According to the simulation results of the main bearing loads, the reciprocating mass and rotating mass are separated. Finally a new balance mechanism is designed and simulation results show that it completely balances inertial forces to improve the engine’s noise vibration and harshness performance.展开更多
The aboveground biomass dynamics and net primary productivity were investigated to assess the productive potential of Diptero- carpus forest in Manipur, Northeast India. Two forest stands (stand Ⅰ and Ⅱ) were earm...The aboveground biomass dynamics and net primary productivity were investigated to assess the productive potential of Diptero- carpus forest in Manipur, Northeast India. Two forest stands (stand Ⅰ and Ⅱ) were earmarked randomly in the study site for the evaluation of biomass in the different girth classes of tree species by harvest method. The total biomass was 22.50 t.ha^-1 and 18.27 t.ha^-1 in forest stand I and II respectively. Annual aboveground net primary production varied from 8.86 to 10.43 t.ha^-1 respectively in two forest stands (stand Ⅰ and Ⅱ). In the present study, the values of production efficiency and the biomass accumulation ratio indicate that the forest is at succession stage with high productive potential.展开更多
A VBHF(Variable Blank Holder Force) optimization strategy was employed to determine the optimal time-variable and spatial-variable BHF trajectories,aiming at improving the formability of automobile panels with aluminu...A VBHF(Variable Blank Holder Force) optimization strategy was employed to determine the optimal time-variable and spatial-variable BHF trajectories,aiming at improving the formability of automobile panels with aluminum alloy sheet.The strategy was implemented based on adaptive simulation to calculate the critical wrinkling BHF for each segmented binder of the Numisheet' 05 deck lid in a single round of simulation.The thickness comparison of the stamped part under optimal VBHF and constant BHF shows that the variance of the four sections is decreased by 70%,44%,64% and 61%,respectively,which indicates significant improvement in thickness distribution and variation control.The investigation through strain path comparison reveals the fundamental reason of formability improvement.The study proves the applicability of the new VBHF optimization strategy to complex parts with aluminum alloy sheet.展开更多
基金ACKNOWLEDGMENTS This work was supported by the Open Project Program of Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education, Hunan University of Science and Technology, China (No.E21104), the National Natural Science Foundation of China (No.21201062 and No.21172066), and the International Cooperation Project (No.2013DFG60060).
文摘Quantum mechanics and molecular dynamics are used to simulate guanidinium ionic liquids. Results show that the stronger interaction exists between guanidine cation and chlorine anion with interaction energy about 109.216 kcal/mol. There are two types of spatial distribution for the title system: middle and top. Middle mode is a more stable conformation according to energy and geometric distribution. It is also verified by radial distribution function. The continuous increase of carbon dioxide (CO2) does not affect the structure of ionic liquids, but CO2 molecules are always captured by the cavity of ionic liquids.
文摘The quantum nature of bulk ensemble NMR quantum computing — the center of recent heated debate, is addressed. Concepts of the mixed state and entanglement are examined, and the data in a two-qubit liquid NMR quantum computation are analyzed. The main points in this paper are: i) Density matrix describes the 'state' of an average particle in an ensemble. It does not describe the state of an individual particle in an ensemble; ii) Entanglement is a property of the wave function of a microscopic particle (such as a molecule in a liquid NMR sample), and separability of the density matrix cannot be used to measure the entanglement of mixed ensemble; iii) The state evolution in bulk-ensemble NMR quantum computation is quantum-mechanical; iv) The coefficient before the effective pure state density matrix, ?, is a measure of the simultaneity of the molecules in an ensemble. It reflects the intensity of the NMR signal and has no significance in quantifying the entanglement in the bulk ensemble NMR system. The decomposition of the density matrix into product states is only an indication that the ensemble can be prepared by an ensemble with the particles unentangled. We conclude that effective-pure-state NMR quantum computation is genuine, not just classical simulations.
基金国家自然科学基金,Talent Project of the Ministry of Education of China,Science Foundation of Educational Bureau of Guangdong Province of China,the Key Project of International Col,广东省教育厅科研项目,国际合作项目,加拿大国家科学及工程研究基金
文摘The Monte Carlo Hamiltonian method developed recently allows to investigate the ground state and low-lying excited states of a quantum system,using Monte Carlo(MC)algorithm with importance sampling.However,conventional MC algorithm has some difficulties when applied to inverse potentials.We propose to use effective potential and extrapolation method to solve the problem.We present examples from the hydrogen system.
基金Supported by the High Technology Research and Development Program of China, No. 2004AA404013
文摘AIM: To study the prolonged colonic motility under normal conditions with a novel capsule-style microsystem and to assess its clinical significance. METHODS: A single use telemetry capsule (10 mm in diameter, 20 mm in length) embedded with a pressure sensor was ingested by the subjects. The sensor is capable of transmitting colonic pressure wirelessly for more than 130 h. The time of capsule entering the segmental colon was detected by ultrasound. The ultrasonic electrodes were mounted on the surface of the ileocecum and navel and at the junction of the left and rectosigmoid colon of the subjects in sequence, which were identified by abdominal X-rays with radiopaque markers. To verify the accuracy and reliability of ultrasonic detection of telemetry capsules at key points of colon, the segmental colonic transit time was simultaneously recorded by using radiopaque markers. RESULTS: The signal lamp showed that all recorders could receive the radio signal transmitted by the telemetry capsule. The X-rays showed that all telemetry capsules were detected successfully when they were passing through the key points of colon. There was a significant correlation between the transit results obtained by ultrasonic detection or by radiopaque markers. Colorectal recording was obtained from 20 healthy subjects during 613 h (411 h during waking, 202 h during sleep). Compared to waking, the number of pressure contractions and the area under pressure contractions were significantly (P 〈 0.05) decreased during sleep (21 ± 5 h^-vs 15 ± 4 h1, 463 ± 54 mmHg·/min vs 342 ± 45 mmHg·/min). The colonic motility exhibited significant regional variations both in the circadian behavior and in response to waking and meal. CONCLUSION: The capsule-style micro-system is reliable and noninvasive, and may represent a useful tool for the study of physiology and pathology of colonic motor disorders.
基金Project supported by the National Basic Research Program (973) of China (No.2006CB705400)the National Natural Science Foundation of China (No.50575200)
文摘The characteristics of the fluidic flowmeter,which is a combination of impinged concave wall and bistable fluid amplifier,is investigated by experimental studies and numerical simulations. The numerical approaches are utilized to examine the time dependent flow field and pressure field inside the proposed flowmeter. The effect of varying structural parameters on flow characteristics of the proposed fluidic flowmeter is investigated by computational simulations for the optimization. Both the simulation and experimental results disclose that the hydrodynamic vibration,with the same intensity,frequency and 180° phase shift,occurs at axisymmetric points in the feedback channel of the fluidic flowmeter. Using the structural combination of impinged concave wall and bistable fluid amplifier and differential signal processing technique,a novel fluidic flowmeter with excellent immunity and improved sensibility is developed.
基金supported by the National Key Research and Development Program of China (Grant No. 2016YFA0600703)the funding of the Jiangsu Innovation & Entrepreneurship Team and the Priority Academic Program Development of Jiangsu Higher Education Institutions
文摘The boreal spring Antarctic Oscillation(AAO)has a significant impact on the spring and summer climate in China.This study evaluates the capability of the NCEP's Climate Forecast System,version 2(CFSv2),in predicting the boreal spring AAO for the period 1983-2015.The results indicate that CFSv2 has poor skill in predicting the spring AAO,failing to predict the zonally symmetric spatial pattern of the AAO,with an insignificant correlation of 0.02 between the predicted and observed AAO Index(AAOI).Considering the interannual increment approach can amplify the prediction signals,we firstly establish a dynamical-statistical model to improve the interannual increment of the AAOI(DY AAOI),with two predictors of CFSv2-forecasted concurrent spring sea surface temperatures and observed preceding autumn sea ice.This dynamical-statistical model demonstrates good capability in predicting DY AAOI,with a significant correlation coeffcient of 0.58 between the observation and prediction during 1983-2015 in the two-year-out cross-validation.Then,we obtain an improved AAOI by adding the improved DY AAOI to the preceding observed AAOI.The improved AAOI shows a significant correlation coeffcient of 0.45 with the observed AAOI during 1983-2015.Moreover,the unrealistic atmospheric response to March-April-May sea ice in CFSv2 may be the possible cause for the failure of CFSv2 to predict the AAO.This study gives new clues regarding AAO prediction and short-term climate prediction.
文摘This paper shows that exact calculation for transition probability can make some systems deviate fromFermi golden rule seriously. This paper also shows that the corresponding exact calculation of hopping rate inducedby phonons for deuteron in Pd-D system with the many-body electron screening, proposed by Ichimaru, can explainthe experimental fact observed in Pd-D system, and predicts that perfection and low-dimension of Pd lattice are veryimportant for the phonon-induced hopping rate enhancement in Pd-D system.
基金Supported by the National Natural Science Foundation for Young Scientists of China (No. 40801225)the Natural Science Foundation of Zhejiang Province (No. Y3090038)
文摘We evaluated the effect of various error sources in fishery harvest/effort data on the maximum sustainable yield (MSY) and corresponding fishing effort (EMsv) using Monte Carlo simulation analyses. A high coefficient of variation (CV) of the catch and effort values biased the estimates of MSY and EMsv. Thus, the state of the fisheries resource and its exploitation was overestimated. We compared the effect using three surplus production models, Hilborn-Waters (H-W), Schnute, and Prager models. The estimates generated using the H-W model were significantly affected by the CV. The Schnute model was least affected by errors in the underlying data. The CVof the catch data had a greater impact on the assessment than the CV of the fishing effort. Similarly, the changes in CV had a greater impact on the estimated maximum sustainable yield (MSY) than on the corresponding estimate of fishing effort (EMsY). We discuss the likely effect of these biases on management efforts and provide suggestions for the improvement of fishery evaluations.
基金Project(51006125) supported by the National Natural Science Foundation of China
文摘To investigate the influence of bluff body shape on wall pressure distribution in a vortex flowmeter,experiments were conducted on a specially designed test section in a closed water rig at Reynolds numbers of 6.2×10 4-9.3×10 4.The cross sections of the bluff bodies were semicircular,square,and triangular shaped,and there were totally 21 pressure tappings along the conduit to acquire the wall pressures.It is found that the variation trends of wall pressures are basically identical regardless of the bluff body shapes.The wall pressures begin to diverge from 0.3D(D is the inner diameter of the vortex flowmeter) in front of the bluff body due to the diversity in shape,and all reach the minimum values at 0.3D behind the bluff body.A discrepancy between the triangular or square cylinder and the semicircular cylinder in wall pressure change is observed at 0-0.1D behind the bluff body.It is also found that the wall pressures and irrecoverable pressure loss coefficients increase with flow rates,and the triangular cylinder causes the smallest irrecoverable pressure loss at a fixed flow rate.
基金Supported by National Natural Science Foundation of China (No50575203)
文摘For a single cylinder engine, the total unbalanced inertial forces occur in the engine block, which results in engine’s vibration and deteriorated noise. In order to eliminate the unbalanced forces, counterweight and primary balance shaft should be attached to the cylinder block so that engine durability and ride comfortability may be further improved. Traditionally one third of connecting rod assembly’s mass is treated as reciprocating mass, and two thirds as rotating mass when designing balance mechanism. In this paper, a new method based on the multibody dynamics simulation is introduced to separate the reciprocating mass and rotating mass of connecting rod assembly. The model consists of crankshaft, connecting rod, piston and the simulation is performed subsequently. According to the simulation results of the main bearing loads, the reciprocating mass and rotating mass are separated. Finally a new balance mechanism is designed and simulation results show that it completely balances inertial forces to improve the engine’s noise vibration and harshness performance.
文摘The aboveground biomass dynamics and net primary productivity were investigated to assess the productive potential of Diptero- carpus forest in Manipur, Northeast India. Two forest stands (stand Ⅰ and Ⅱ) were earmarked randomly in the study site for the evaluation of biomass in the different girth classes of tree species by harvest method. The total biomass was 22.50 t.ha^-1 and 18.27 t.ha^-1 in forest stand I and II respectively. Annual aboveground net primary production varied from 8.86 to 10.43 t.ha^-1 respectively in two forest stands (stand Ⅰ and Ⅱ). In the present study, the values of production efficiency and the biomass accumulation ratio indicate that the forest is at succession stage with high productive potential.
基金Project(50934011) supported by the National Natural Science Foundation of ChinaProject(20080430085) supported by the China Postdoctoral Science Foundation
文摘A VBHF(Variable Blank Holder Force) optimization strategy was employed to determine the optimal time-variable and spatial-variable BHF trajectories,aiming at improving the formability of automobile panels with aluminum alloy sheet.The strategy was implemented based on adaptive simulation to calculate the critical wrinkling BHF for each segmented binder of the Numisheet' 05 deck lid in a single round of simulation.The thickness comparison of the stamped part under optimal VBHF and constant BHF shows that the variance of the four sections is decreased by 70%,44%,64% and 61%,respectively,which indicates significant improvement in thickness distribution and variation control.The investigation through strain path comparison reveals the fundamental reason of formability improvement.The study proves the applicability of the new VBHF optimization strategy to complex parts with aluminum alloy sheet.