A series of 3D-C/SiC composites with different pyrolytic carbon (PyC) interracial layers (about 20~300 nm thick)were prepared by chemical vapor infiltration. Simulation experiments at different temperatures were perf...A series of 3D-C/SiC composites with different pyrolytic carbon (PyC) interracial layers (about 20~300 nm thick)were prepared by chemical vapor infiltration. Simulation experiments at different temperatures were performed byexposing C/SiC specimens in single and coupling gases partial pressure atmospheres, namely, O2, H2O vapor andmolten salt (Na+) vapor. It suggested that at intermediate temperature range (about 600~800℃) a dramatic effectof PyC thickness on the weight and strength change of C/SiC was shown, which was mainly influenced by O2 partialpressure; at high temperature range (about 1200~1300℃) the effect was not obvious relatively, which might beinfluenced by H2O vapor partial pressure; and finally at very high temperature range (>1500℃) the molten saltvapor was the factor of most possibility affecting the weight change of C/SiC.展开更多
A new kinetic model for commercial unit of toluene disproportionation and C9-armatiocs transalkylation is developed based on the reported reaction scheme.A time based catalyst deactivation function taking weight hourl...A new kinetic model for commercial unit of toluene disproportionation and C9-armatiocs transalkylation is developed based on the reported reaction scheme.A time based catalyst deactivation function taking weight hourly space velocity(WHSV)into account is incorporated into the model,which reasonably accounts for the loss in activity because of coke deposition on the surface of catalyst during long-term operation.The kinetic parameters are benchmarked with several sets of balanced plant data and estimated by the differential variable metric optimiza- tion method.Sets of plant data at different operating conditions are applied to make sure validation of the model and the results show a good agreement between the model predictions and plant observations.The simulation analysis of key variables such as temperature and WHSV affecting process performance is discussed in detail,giv- ing the guidance to select suitable operating conditions.展开更多
Poly(N-isopropylacrylamide)(PNIPAAm) grafted onto silica,which may be used for reverse phase chromatography(RPC),was simulated and synthesized for protein separation with temperature-triggered adsorption and desorptio...Poly(N-isopropylacrylamide)(PNIPAAm) grafted onto silica,which may be used for reverse phase chromatography(RPC),was simulated and synthesized for protein separation with temperature-triggered adsorption and desorption.Molecular dynamics simulation at an all-atom level was performed to illustrate the adsorption/desorption behavior of cytochrome c,the model protein,on PNIPAAm-grafted-silica,a temperature responsive adsorbent.At a temperature above the lower critical solution temperature(LCST),the PNIPAAm chains aggregate on the silica surface,forming a hydrophobic surface that is favorable for the hydrophobic adsorption of cytochrome c,which has a high exposure of hydrophobic patches.At temperatures below the LCST,the PNIPAAm chains stretch,forming hydrophilic surface due to hydrogen bonding between PNIPAAm and surrounding water.Desorption of cytochrome c on the PNIPAAm-grafted-silica surface occurs as a result of competition with water,which forms hydrogen bonds with the protein.The conformational transitions of both cytochrome c and PNIPAAm are monitored,providing molecular insight into this temperature-responsive RPC technique.PNIPAAm-grafted-silica beads were synthesized and used for the adsorption and desorption of cytochrome c at approximately 313 K and 290 K,respectively.The experimental results validate the molecular dynamics simulation.In comparison to conventional RPC,using temperature as a driving force for RPC reduces the risk of protein denaturation caused by exposure to chaotropic solvents.Moreover,it simplifies the separation process by avoiding the buffer exchange operations between the steps.展开更多
Cast shape during investment casting process dictates properties and service life of the casting. These properties are the function of cast part parameters (both static and dynamic), part geometry and hence mold geome...Cast shape during investment casting process dictates properties and service life of the casting. These properties are the function of cast part parameters (both static and dynamic), part geometry and hence mold geometry, nature and type of metal being cast, properties (extrinsic and intrinsic) and processing parameters (rate of heating, rate of cooling, rate of pouring). Improper and inadequate manipulation and modification of mold properties degrade the properties and life of casting altogether. A mathematical model is developed using standard transport equations incorporating all heat transfer coefficients (HTCs) to determine the effect of external mold heating on the properties of the final casting and a simulation is performed in C++ to validate it against experimental results. Pure iron is casted in investment molds of silica sand with zircon coating. Airflow near the mold surfaces was partially restricted due to geometry of the molds and arrangement of the pieces around a tree. The variations in heat transfer coefficient contribute towards total heat transfer out of mold surface. External heating is found to be very effective for improved casting properties. The mold heat transfer profile is found to be in good agreement with experimental values validating the effectiveness of mold heating.展开更多
Aiming at the applications of NOC (network on chip) technology in rising scale and complexity on chip systems, a Torus structure and corresponding route algorithm for NOC is proposed. This Torus structure improves t...Aiming at the applications of NOC (network on chip) technology in rising scale and complexity on chip systems, a Torus structure and corresponding route algorithm for NOC is proposed. This Torus structure improves traditional Torus topology and redefines the denotations of the routers. Through redefining the router denotations and changing the original router locations, the Torus structure for NOC application is reconstructed. On the basis of this structure, a dead-lock and live-lock free route algorithm is designed according to dimension increase. System C is used to implement this structure and the route algorithm is simulated. In the four different traffic patterns, average, hotspot 13%, hotspot 67% and transpose, the average delay and normalization throughput of this Torus structure are evaluated. Then, the performance of delay and throughput between this Torus and Mesh structure is compared. The results indicate that this Torus structure is more suitable for NOC applications.展开更多
In this paper numerical simulation of PRHR HX and IRWST is demonstrated using FLUENT, and different numbers of C-type heat transfer tubes and coolant inlet temperature’s effects for the residual heat removal capacity...In this paper numerical simulation of PRHR HX and IRWST is demonstrated using FLUENT, and different numbers of C-type heat transfer tubes and coolant inlet temperature’s effects for the residual heat removal capacity of PRHR HX, IRWST thermal stratification and natural circulation have been researched. It’s found that at a constant flow area when heat transfer tubes’ number increased outlet temperature of PRHR HX is lower, the whole water temperature of IRWST is higher, thermal stratification and natural circulation are more oblivious. At a constant mass flow when inlet temperature of PRHR HX increased, inlet flow velocity increases and outlet temperature is higher. But on the other hand the cooling rate increases at the same time, the average temperature of IRWST is higher, the range of thermal stratification expands and the velocity of natural circulation increases.展开更多
Does the halogen bonding interaction co-exist in liquid when it competes with the hydrogen bonding interaction? The classical molecular dynamics simulations for the solvation properties of CLF molecule in water are p...Does the halogen bonding interaction co-exist in liquid when it competes with the hydrogen bonding interaction? The classical molecular dynamics simulations for the solvation properties of CLF molecule in water are performed with the Lennard-Jones plus Coulomb electrostatic potential parameters that are optimized with ab initio interaction energy calculations for the pre-reactive H2O-CLF complex. We find that the halogen bonding interactions occur between O and CL atoms and have the comparable strength and population with respect to the hydrogen bonding interactions of C1...H.展开更多
As the behavior of breaking credit is more womed by people in C2C transactions, all state variables in the C2C transaction system of credit signal transmission mechanism and punishment mechanism may have many results ...As the behavior of breaking credit is more womed by people in C2C transactions, all state variables in the C2C transaction system of credit signal transmission mechanism and punishment mechanism may have many results after credit is cracked by seller. In this paper, the development and change trend of seller's credit behavior is studied by taking seller's behavior of cracking credit as the initial state. By a QSIM qualitative research, how the credit decision of an individual develops is found under the joint action of the credit mechanism, signal transmission mechanism, and punishment mechanism in C2C. Based on the research result, policy suggestions are proposed for the development of the online C2C credit mechanism.展开更多
In order to study the dynamic behaviour of construction,specifically seismic response of structures,as many researchers did,we have resorted to modelling methods,based on the scaled internal forces.Therefore,this rese...In order to study the dynamic behaviour of construction,specifically seismic response of structures,as many researchers did,we have resorted to modelling methods,based on the scaled internal forces.Therefore,this research includes results of an experimental investigation aimed to establish the possibility of realistic simulations of the cyclic response of small-scale models of one bay,one-storey reinforced concrete frames with masonry infills as a preliminary step for simulating the dynamic response of such structural.So,the specimens constructed were 1:9 scale R/C frames.These 1:9 scale infill frames were constructed with prototype materials and were tested in an extensive experimental sequence representing specimens of a scale near the prototype(1:3).The tested laboratory models include 1:3 scale infilled R/C frames that were built from original material such as steel,concrete and masonry infills(hollow masonry units and mortar).With the same scale,geometry and construction materials used for the construction of a 1:3 scale 5-story three dimensional building.This program consisted of 16 models,5 bare and 11 masonry infilled.all models refer to single-storey one-bay 1:9 scale as for the original structure and a one third of the scale(1:3)as for the prototype(1:3).The reinforced concrete specimens were designed in such a way as to prevent shear failure of the columns.Finally,the present paper was carried out in the Laboratory of Strength of Materials and Structures in the Department of Civil Engineering at Aristotle University of Thessaloniki.展开更多
Microstructural evolutions of ceramic grain growth at atomistic scale were modeled. The simulation was preceded with Monte-Carlo method, using Visual C++ and OpenGL languages. Realistic images in series were monitored...Microstructural evolutions of ceramic grain growth at atomistic scale were modeled. The simulation was preceded with Monte-Carlo method, using Visual C++ and OpenGL languages. Realistic images in series were monitored both in two d imensions and three dimensions. Simulated image of grain growth in this series i s presented in left figure with N 0=25, r=0.40 nm, α=0.1, T=1 300 ℃, and P 0=50 %. It was seen that the average grain size increases wit h the time of grain growth. It is in good agreement with that of practical BST c eramics. The average grain area versus grain growth time is shown in right figur e. It is clear that the kinetic exponents of grain growth are not constant durin g the process of microstructural evolution. The kinetic exponents are smaller ( m≈0.5) at the early stages of growth and larger (m≈8) at the later sta ges, which are in agreement with reported results.展开更多
Different structure models of a long-period ordered phase in Fe-C martenstie formed during aging have been checked by computer simulation of electron diffraction(ED) patterns based on these models.The results showed t...Different structure models of a long-period ordered phase in Fe-C martenstie formed during aging have been checked by computer simulation of electron diffraction(ED) patterns based on these models.The results showed that the simulated ED pattern of γ'-FexC(Ⅱ) model proposed by the present authors is in good agreement with experimentally observed ED pattern.It was also confirmed that the incommensurate superperiod stems from the coexistence of several γ'-Fe_xC(H) phases with different superperiods.The Fe(144)C(24)(Fe6C) model proposed by Uwakweh et al.generated ED patterns remarkably different from the experimental ones.展开更多
In this paper we use the finite element analysis software ANSYS10.0 to establish a finite element model for pressure gauge C -spring tube, and the main factors affected the relation between the pressure and distortion...In this paper we use the finite element analysis software ANSYS10.0 to establish a finite element model for pressure gauge C -spring tube, and the main factors affected the relation between the pressure and distortion displacement are analyzed. The results show that with the increasing of the spring tube wall thickness T and the minor axis length B, the elastic rigidity of spring tube increases, which is reduced with spring tube diameter D. Moreover, the major axis length H increases. Meanwhile, a pressure gauge spring tube has been optimized according to the simulation results bused on a model with special features, and the design results achieve the intended purpose. The analysis results provide a reliable method for the research and design of similar elastic elements.展开更多
Basic structure and algorithm of leaf mechanism photosynthesis model were described in first part of this study based on former researcher results. Then, considering some environmental factors influencing on leaf ph...Basic structure and algorithm of leaf mechanism photosynthesis model were described in first part of this study based on former researcher results. Then, considering some environmental factors influencing on leaf photosynthesis, three numerical sensitivity experiments were carried out. We simulated the sing le leaf net CO2 assimilation, which acts as a function of different light, carbo n dioxide and temperature conditions. The relationships between leaf net photosy nthetic rate of C3 and C4 plant with CO2 concentration intercellular, leaf tempe rature, and photosynthetic active radiation (PAR) were presented, respectively. The results show the numerical experiment may indicate the main characteristic o f plant photosynthesis in C3 and C4 plant, and further can be used to integrate with the regional climate model and act as land surface process scheme, and bett er understand the interaction between vegetation and atmosphere.展开更多
文摘A series of 3D-C/SiC composites with different pyrolytic carbon (PyC) interracial layers (about 20~300 nm thick)were prepared by chemical vapor infiltration. Simulation experiments at different temperatures were performed byexposing C/SiC specimens in single and coupling gases partial pressure atmospheres, namely, O2, H2O vapor andmolten salt (Na+) vapor. It suggested that at intermediate temperature range (about 600~800℃) a dramatic effectof PyC thickness on the weight and strength change of C/SiC was shown, which was mainly influenced by O2 partialpressure; at high temperature range (about 1200~1300℃) the effect was not obvious relatively, which might beinfluenced by H2O vapor partial pressure; and finally at very high temperature range (>1500℃) the molten saltvapor was the factor of most possibility affecting the weight change of C/SiC.
基金Supported by the National'Creative Research Groups Science Foundation of China (No.60421002) and priority supported financially by "the New Century 151 Talent Project" of Zhejiang Province.
文摘A new kinetic model for commercial unit of toluene disproportionation and C9-armatiocs transalkylation is developed based on the reported reaction scheme.A time based catalyst deactivation function taking weight hourly space velocity(WHSV)into account is incorporated into the model,which reasonably accounts for the loss in activity because of coke deposition on the surface of catalyst during long-term operation.The kinetic parameters are benchmarked with several sets of balanced plant data and estimated by the differential variable metric optimiza- tion method.Sets of plant data at different operating conditions are applied to make sure validation of the model and the results show a good agreement between the model predictions and plant observations.The simulation analysis of key variables such as temperature and WHSV affecting process performance is discussed in detail,giv- ing the guidance to select suitable operating conditions.
基金Supported by State Key Laboratory of Chemical Engineering (SKL-ChE-09A05)the National Excellent Doctoral Dissertation Special Fund (200956)
文摘Poly(N-isopropylacrylamide)(PNIPAAm) grafted onto silica,which may be used for reverse phase chromatography(RPC),was simulated and synthesized for protein separation with temperature-triggered adsorption and desorption.Molecular dynamics simulation at an all-atom level was performed to illustrate the adsorption/desorption behavior of cytochrome c,the model protein,on PNIPAAm-grafted-silica,a temperature responsive adsorbent.At a temperature above the lower critical solution temperature(LCST),the PNIPAAm chains aggregate on the silica surface,forming a hydrophobic surface that is favorable for the hydrophobic adsorption of cytochrome c,which has a high exposure of hydrophobic patches.At temperatures below the LCST,the PNIPAAm chains stretch,forming hydrophilic surface due to hydrogen bonding between PNIPAAm and surrounding water.Desorption of cytochrome c on the PNIPAAm-grafted-silica surface occurs as a result of competition with water,which forms hydrogen bonds with the protein.The conformational transitions of both cytochrome c and PNIPAAm are monitored,providing molecular insight into this temperature-responsive RPC technique.PNIPAAm-grafted-silica beads were synthesized and used for the adsorption and desorption of cytochrome c at approximately 313 K and 290 K,respectively.The experimental results validate the molecular dynamics simulation.In comparison to conventional RPC,using temperature as a driving force for RPC reduces the risk of protein denaturation caused by exposure to chaotropic solvents.Moreover,it simplifies the separation process by avoiding the buffer exchange operations between the steps.
文摘Cast shape during investment casting process dictates properties and service life of the casting. These properties are the function of cast part parameters (both static and dynamic), part geometry and hence mold geometry, nature and type of metal being cast, properties (extrinsic and intrinsic) and processing parameters (rate of heating, rate of cooling, rate of pouring). Improper and inadequate manipulation and modification of mold properties degrade the properties and life of casting altogether. A mathematical model is developed using standard transport equations incorporating all heat transfer coefficients (HTCs) to determine the effect of external mold heating on the properties of the final casting and a simulation is performed in C++ to validate it against experimental results. Pure iron is casted in investment molds of silica sand with zircon coating. Airflow near the mold surfaces was partially restricted due to geometry of the molds and arrangement of the pieces around a tree. The variations in heat transfer coefficient contribute towards total heat transfer out of mold surface. External heating is found to be very effective for improved casting properties. The mold heat transfer profile is found to be in good agreement with experimental values validating the effectiveness of mold heating.
基金the National Natural Science Fundation of China (60575031).
文摘Aiming at the applications of NOC (network on chip) technology in rising scale and complexity on chip systems, a Torus structure and corresponding route algorithm for NOC is proposed. This Torus structure improves traditional Torus topology and redefines the denotations of the routers. Through redefining the router denotations and changing the original router locations, the Torus structure for NOC application is reconstructed. On the basis of this structure, a dead-lock and live-lock free route algorithm is designed according to dimension increase. System C is used to implement this structure and the route algorithm is simulated. In the four different traffic patterns, average, hotspot 13%, hotspot 67% and transpose, the average delay and normalization throughput of this Torus structure are evaluated. Then, the performance of delay and throughput between this Torus and Mesh structure is compared. The results indicate that this Torus structure is more suitable for NOC applications.
文摘In this paper numerical simulation of PRHR HX and IRWST is demonstrated using FLUENT, and different numbers of C-type heat transfer tubes and coolant inlet temperature’s effects for the residual heat removal capacity of PRHR HX, IRWST thermal stratification and natural circulation have been researched. It’s found that at a constant flow area when heat transfer tubes’ number increased outlet temperature of PRHR HX is lower, the whole water temperature of IRWST is higher, thermal stratification and natural circulation are more oblivious. At a constant mass flow when inlet temperature of PRHR HX increased, inlet flow velocity increases and outlet temperature is higher. But on the other hand the cooling rate increases at the same time, the average temperature of IRWST is higher, the range of thermal stratification expands and the velocity of natural circulation increases.
基金This work is supported by the National Natural Science Foundation of China (No.20673105).
文摘Does the halogen bonding interaction co-exist in liquid when it competes with the hydrogen bonding interaction? The classical molecular dynamics simulations for the solvation properties of CLF molecule in water are performed with the Lennard-Jones plus Coulomb electrostatic potential parameters that are optimized with ab initio interaction energy calculations for the pre-reactive H2O-CLF complex. We find that the halogen bonding interactions occur between O and CL atoms and have the comparable strength and population with respect to the hydrogen bonding interactions of C1...H.
文摘As the behavior of breaking credit is more womed by people in C2C transactions, all state variables in the C2C transaction system of credit signal transmission mechanism and punishment mechanism may have many results after credit is cracked by seller. In this paper, the development and change trend of seller's credit behavior is studied by taking seller's behavior of cracking credit as the initial state. By a QSIM qualitative research, how the credit decision of an individual develops is found under the joint action of the credit mechanism, signal transmission mechanism, and punishment mechanism in C2C. Based on the research result, policy suggestions are proposed for the development of the online C2C credit mechanism.
文摘In order to study the dynamic behaviour of construction,specifically seismic response of structures,as many researchers did,we have resorted to modelling methods,based on the scaled internal forces.Therefore,this research includes results of an experimental investigation aimed to establish the possibility of realistic simulations of the cyclic response of small-scale models of one bay,one-storey reinforced concrete frames with masonry infills as a preliminary step for simulating the dynamic response of such structural.So,the specimens constructed were 1:9 scale R/C frames.These 1:9 scale infill frames were constructed with prototype materials and were tested in an extensive experimental sequence representing specimens of a scale near the prototype(1:3).The tested laboratory models include 1:3 scale infilled R/C frames that were built from original material such as steel,concrete and masonry infills(hollow masonry units and mortar).With the same scale,geometry and construction materials used for the construction of a 1:3 scale 5-story three dimensional building.This program consisted of 16 models,5 bare and 11 masonry infilled.all models refer to single-storey one-bay 1:9 scale as for the original structure and a one third of the scale(1:3)as for the prototype(1:3).The reinforced concrete specimens were designed in such a way as to prevent shear failure of the columns.Finally,the present paper was carried out in the Laboratory of Strength of Materials and Structures in the Department of Civil Engineering at Aristotle University of Thessaloniki.
文摘Microstructural evolutions of ceramic grain growth at atomistic scale were modeled. The simulation was preceded with Monte-Carlo method, using Visual C++ and OpenGL languages. Realistic images in series were monitored both in two d imensions and three dimensions. Simulated image of grain growth in this series i s presented in left figure with N 0=25, r=0.40 nm, α=0.1, T=1 300 ℃, and P 0=50 %. It was seen that the average grain size increases wit h the time of grain growth. It is in good agreement with that of practical BST c eramics. The average grain area versus grain growth time is shown in right figur e. It is clear that the kinetic exponents of grain growth are not constant durin g the process of microstructural evolution. The kinetic exponents are smaller ( m≈0.5) at the early stages of growth and larger (m≈8) at the later sta ges, which are in agreement with reported results.
文摘Different structure models of a long-period ordered phase in Fe-C martenstie formed during aging have been checked by computer simulation of electron diffraction(ED) patterns based on these models.The results showed that the simulated ED pattern of γ'-FexC(Ⅱ) model proposed by the present authors is in good agreement with experimentally observed ED pattern.It was also confirmed that the incommensurate superperiod stems from the coexistence of several γ'-Fe_xC(H) phases with different superperiods.The Fe(144)C(24)(Fe6C) model proposed by Uwakweh et al.generated ED patterns remarkably different from the experimental ones.
文摘In this paper we use the finite element analysis software ANSYS10.0 to establish a finite element model for pressure gauge C -spring tube, and the main factors affected the relation between the pressure and distortion displacement are analyzed. The results show that with the increasing of the spring tube wall thickness T and the minor axis length B, the elastic rigidity of spring tube increases, which is reduced with spring tube diameter D. Moreover, the major axis length H increases. Meanwhile, a pressure gauge spring tube has been optimized according to the simulation results bused on a model with special features, and the design results achieve the intended purpose. The analysis results provide a reliable method for the research and design of similar elastic elements.
基金Natural Science Foundation of China (Grant No. 39900084)
文摘Basic structure and algorithm of leaf mechanism photosynthesis model were described in first part of this study based on former researcher results. Then, considering some environmental factors influencing on leaf photosynthesis, three numerical sensitivity experiments were carried out. We simulated the sing le leaf net CO2 assimilation, which acts as a function of different light, carbo n dioxide and temperature conditions. The relationships between leaf net photosy nthetic rate of C3 and C4 plant with CO2 concentration intercellular, leaf tempe rature, and photosynthetic active radiation (PAR) were presented, respectively. The results show the numerical experiment may indicate the main characteristic o f plant photosynthesis in C3 and C4 plant, and further can be used to integrate with the regional climate model and act as land surface process scheme, and bett er understand the interaction between vegetation and atmosphere.