Based on 49 digital seismograms recorded by 73 seismic stations in the Jiangsu Telemetered Seismic Network,the paper uses Atkinson's method to calculate the inelastic attenuation coefficient of the Jiangsu area. W...Based on 49 digital seismograms recorded by 73 seismic stations in the Jiangsu Telemetered Seismic Network,the paper uses Atkinson's method to calculate the inelastic attenuation coefficient of the Jiangsu area. We find that the frequency-dependent Q in the Jiangsu region is Q( f) = 272. 1·f^(0. 5575). We also use Moya's method to invert the 63 stations' site responses. The results show that the site responses of the 25 stations in Jiangsu are approximately 1 at a range between 1Hz and 20 Hz, which is consistent with their basements on rocks. The response curves of the site responses of the 14 underground stations are similar to each other. Their site responses show an amplification at low frequencies and minimization at high frequencies. The calculation of the Brune model on the waveform data of M_L≥2. 5 earthquakes from Jiangsu Digital Seismic Network between October 2010 and May 2015 in terms of seismic source parameters of 58 seismic waves shows that there are good correlations between seismic magnitude and other source parameters such as seismic moment, source radius and corner frequency, while the correlations between seismic magnitude and stress drop,and stress drop and source radius are not so good.展开更多
In this work, the formation sites, helical parameters and hydrogen bond positions of Konjac glucomannan molecular helices were investigated using molecular dynamic simulation method. To our interest, the KGM chain is ...In this work, the formation sites, helical parameters and hydrogen bond positions of Konjac glucomannan molecular helices were investigated using molecular dynamic simulation method. To our interest, the KGM chain is mainly composed by local left and right helix struetttres. The formation sites of KGM chain might locate at the chain-segments containing acetyl groups, and the left helix is the favorable conformation of KGM. Temperature-dependent molecule conformation study indicates that the right helix is dominant when the temperature is lower than 343 K, above which, however, the left helix is dominating （right helix disappears）. In addition, intramolecular hydrogen bonds in the left helix can be found at the -OH groups on C（2）, C（4） and C（6） of mannose residues; comparably, the intramolecular hydrogen bonds in the right helix can be mainly observed at the -OH groups on C（4） and C（6） of the mannose residues and C（3） of the glucose residues. In conclusion, molecular dynamic simulation is an efficient method for the microscopic conformation study of glucomannan molecular helices.展开更多
Further developments in the hybrid multiscale energy density method are proposed on the basis of our previous papers. The key points are as follows. （i） The theoretical method for the determination of the weight par...Further developments in the hybrid multiscale energy density method are proposed on the basis of our previous papers. The key points are as follows. （i） The theoretical method for the determination of the weight parameter in the energy coupling equation of transition region in multiscale model is given via constructing underdetermined equations. （ii） By applying the developed mathematical method, the weight parameters have been given and used to treat some problems in homogeneous charge density systems, which ,＇ire directly related with multiscale science. （iii） A theoretical algorithm has also been presented for treating non-homogeneous systems of charge density. The key to the theoretical computational methods is the decomposition of the electrostatic energy in the total energy of density functional theory for probing the spanning characteristic at atomic scale, layer by layer, by which the choice of chemical elements and the defect complex effect can be understood deeply. （iv） The＇numerical computational program and design have also been presented.展开更多
The site order parameter (SOP) has been adopted to analyze various orders of structure formation and distribution during the crystallization of a polyethylene globule simulated by molecular dynamics. The SOP not only ...The site order parameter (SOP) has been adopted to analyze various orders of structure formation and distribution during the crystallization of a polyethylene globule simulated by molecular dynamics. The SOP not only identifies different orders among the structures but also different phases. The results showed that intermediate structures with medium order exist unevenly in the early stage of nucleation, which differs from traditional models. We found that the nucleation relies on crystallinity fluctuations with increasing amplitude, and a baby nucleus with different shape and increasing size suddenly appears in the fluctuations. Once its size is large enough, the baby nucleus becomes the nucleus. In the growth stage, a number of lamellar mergences were observed and their selective behaviors were related to the orientation differences between the lamellae to be merged. The SOP distribution of all atoms in the system during crystallization had two peaks: one for the amorphous phase and the other for the crystalline phase. The intermediate structures with medium orders are located between the two peaks as an order promotion pathway. The data show that the medium order structure fluctuates at the growth front and is not always available, and that the medium order structure existing at the front is not always good for development. It is possibly caused by chain entanglement. Structure fluctuation at the growth front enables the system showing thousands of the most probable configurations to approach the precursor. The growth front is thus active for a while and inactive at other times.展开更多
基金jointly sponsored by the“Science for Earthquake Resilience(1730801)the Youth Fund Program of Earthquake Administration of Jiangsu Province,China(201405)
文摘Based on 49 digital seismograms recorded by 73 seismic stations in the Jiangsu Telemetered Seismic Network,the paper uses Atkinson's method to calculate the inelastic attenuation coefficient of the Jiangsu area. We find that the frequency-dependent Q in the Jiangsu region is Q( f) = 272. 1·f^(0. 5575). We also use Moya's method to invert the 63 stations' site responses. The results show that the site responses of the 25 stations in Jiangsu are approximately 1 at a range between 1Hz and 20 Hz, which is consistent with their basements on rocks. The response curves of the site responses of the 14 underground stations are similar to each other. Their site responses show an amplification at low frequencies and minimization at high frequencies. The calculation of the Brune model on the waveform data of M_L≥2. 5 earthquakes from Jiangsu Digital Seismic Network between October 2010 and May 2015 in terms of seismic source parameters of 58 seismic waves shows that there are good correlations between seismic magnitude and other source parameters such as seismic moment, source radius and corner frequency, while the correlations between seismic magnitude and stress drop,and stress drop and source radius are not so good.
基金supported by the National Natural Science Foundation of China (30871749,30901004)Natural Science Foundation of Fujian Province(2009J01061)
文摘In this work, the formation sites, helical parameters and hydrogen bond positions of Konjac glucomannan molecular helices were investigated using molecular dynamic simulation method. To our interest, the KGM chain is mainly composed by local left and right helix struetttres. The formation sites of KGM chain might locate at the chain-segments containing acetyl groups, and the left helix is the favorable conformation of KGM. Temperature-dependent molecule conformation study indicates that the right helix is dominant when the temperature is lower than 343 K, above which, however, the left helix is dominating （right helix disappears）. In addition, intramolecular hydrogen bonds in the left helix can be found at the -OH groups on C（2）, C（4） and C（6） of mannose residues; comparably, the intramolecular hydrogen bonds in the right helix can be mainly observed at the -OH groups on C（4） and C（6） of the mannose residues and C（3） of the glucose residues. In conclusion, molecular dynamic simulation is an efficient method for the microscopic conformation study of glucomannan molecular helices.
基金supported by the National Basic Research Program of China(Grant No.2011CB606402)the National Natural Science Foundation of China(Grant No.51071091)
文摘Further developments in the hybrid multiscale energy density method are proposed on the basis of our previous papers. The key points are as follows. （i） The theoretical method for the determination of the weight parameter in the energy coupling equation of transition region in multiscale model is given via constructing underdetermined equations. （ii） By applying the developed mathematical method, the weight parameters have been given and used to treat some problems in homogeneous charge density systems, which ,＇ire directly related with multiscale science. （iii） A theoretical algorithm has also been presented for treating non-homogeneous systems of charge density. The key to the theoretical computational methods is the decomposition of the electrostatic energy in the total energy of density functional theory for probing the spanning characteristic at atomic scale, layer by layer, by which the choice of chemical elements and the defect complex effect can be understood deeply. （iv） The＇numerical computational program and design have also been presented.
文摘The site order parameter (SOP) has been adopted to analyze various orders of structure formation and distribution during the crystallization of a polyethylene globule simulated by molecular dynamics. The SOP not only identifies different orders among the structures but also different phases. The results showed that intermediate structures with medium order exist unevenly in the early stage of nucleation, which differs from traditional models. We found that the nucleation relies on crystallinity fluctuations with increasing amplitude, and a baby nucleus with different shape and increasing size suddenly appears in the fluctuations. Once its size is large enough, the baby nucleus becomes the nucleus. In the growth stage, a number of lamellar mergences were observed and their selective behaviors were related to the orientation differences between the lamellae to be merged. The SOP distribution of all atoms in the system during crystallization had two peaks: one for the amorphous phase and the other for the crystalline phase. The intermediate structures with medium orders are located between the two peaks as an order promotion pathway. The data show that the medium order structure fluctuates at the growth front and is not always available, and that the medium order structure existing at the front is not always good for development. It is possibly caused by chain entanglement. Structure fluctuation at the growth front enables the system showing thousands of the most probable configurations to approach the precursor. The growth front is thus active for a while and inactive at other times.
