The switching behavior of antiferroelectric domain structures under the applied electric field is not fully understood.In this work,by using the phase field simulation,we have studied the polarization switching proper...The switching behavior of antiferroelectric domain structures under the applied electric field is not fully understood.In this work,by using the phase field simulation,we have studied the polarization switching property of antiferroelectric domains.Our results indicate that the ferroelectric domains nucleate preferably at the boundaries of the antiferroelectric domains,and antiferroelectrics with larger initial domain sizes possess a higher coercive electric field as demonstrated by hysteresis loops.Moreover,we introduce charge defects into the sample and numerically investigate their influence.It is also shown that charge defects can induce local ferroelectric domains,which could suppress the saturation polarization and narrow the enclosed area of the hysteresis loop.Our results give insights into understanding the antiferroelectric phase transformation and optimizing the energy storage property in experiments.展开更多
Rainfall extremes have strong connotations to socio-economic activities and human well-being in Uganda’s Lake Victoria Basin (LVB). Reliable prediction and dissemination of extreme rainfall events are therefore of pa...Rainfall extremes have strong connotations to socio-economic activities and human well-being in Uganda’s Lake Victoria Basin (LVB). Reliable prediction and dissemination of extreme rainfall events are therefore of paramount importance to the region’s development agenda. The main objective of this study was to contribute to the prediction of rainfall extremes over this region using a numerical modelling approach. The Weather Research and Forecasting (WRF) model was used to simulate a 20-day period of extremely heavy rainfall that was observed in the March to May season of 2008. The underlying interest was to investigate the performance of different combinations of cumulus and microphysical parameterization along with the model grid resolution and domain size. The model output was validated against rainfall observations from the Tropical Rainfall Measuring Mission (TRMM) using 5 metrics;the rainfall distribution, root mean square error, mean error, probability of detection and false alarm ratio. The results showed that the model was able to simulate extreme rainfall and the most satisfactory skill was obtained with a model setup using the Grell 3D cumulus scheme combined with the SBU_YLin microphysical scheme. This study concludes that the WRF model can be used for simulating extreme rainfall over western LVB. In the other 2 regions, central and eastern LVB, its performance is limited by failure to simulate nocturnal rainfall. Furthermore, increasing the model grid resolution showed good potential for improving the model simulation especially when a large domain is used.展开更多
To understand the relation between different nanostructures and thermal properties, a simple yet effective model is in demand for characterizing the underlying phonons and electrons scattering mechanisms. Herein, we m...To understand the relation between different nanostructures and thermal properties, a simple yet effective model is in demand for characterizing the underlying phonons and electrons scattering mechanisms. Herein, we make a systematic review on the newly developed thermal reffusivity theory. Like electrical resistivity which has been historically used as a theory for analyzing structural domain size and defect levels of metals, the thermal reffusivity can also uncover phonon behavior, structure defects and domain size of materials. We highlight that this new theory can be used for not only metals, but also nonmetals, even for amorphous materials. From the thermal reffusivity against temperature curves, the Debye temperature of the material and the ideal thermal diffusivity of single perfect crystal can be evaluated. From the residual thermal reffusivity at the 0 K limit, the structural thermal domain （STD） size of crystalline and amorphous materials can be obtained. The difference of white hair and normal black hair from heat conduction perspective is reported for the first time. Loss of melanin results in a worse thermal protection and a larger STD size in the white hair. By reviewing the different variation of thermal reffusivity against decreasing temperature profiles, we conclude that they reflected the structural connection in the materials. Ultimately, the future application of thermal reffusivity theory in studying 2D materials and amorphous materials is discussed.展开更多
Successful prediction of protein domain boundaries provides valuable information not only for the computational structure prediction of muhi-domain proteins but also for the experimental structure determination. A nov...Successful prediction of protein domain boundaries provides valuable information not only for the computational structure prediction of muhi-domain proteins but also for the experimental structure determination. A novel method for domain boundary prediction has been presented, which combines the support vector machine with domain guess by size algorithm. Since the evolutional information of multiple domains can be detected by position specific score matrix, the support vector machine method is trained and tested using the values of position specific score matrix generated by PSI-BLAST. The candidate domain boundaries are selected from the output of support vector machine, and are then inputted to domain guess by size algorithm to give the final results of domain boundary, prediction. The experimental results show that the combined method outperforms the individual method of both support vector machine and domain guess by size.展开更多
We consider a one-dimensional reaction-diffusion equation describing single-and two-species population dynamics in an advective environment,based on the modeling frameworks proposed by Lutscher et al.in 2006.We analyz...We consider a one-dimensional reaction-diffusion equation describing single-and two-species population dynamics in an advective environment,based on the modeling frameworks proposed by Lutscher et al.in 2006.We analyze the effect of rate of loss of individuals at both the upstream and downstream boundaries.In the single-species case,we prove the existence of the critical domain size and provide explicit formulas in terms of model parameters.We further derive qualitative properties of the critical domain size and show that,in some cases,the critical domain size is either strictly decreasing over all diffusion rates,or monotonically increasing after first decreasing to a minimum.We also consider competition between species differing only in their diffusion rates.For two species having large diffusion rates,we give a sufficient condition to determine whether the faster or slower diffuser wins the competition.We also briefly discuss applications of these results to competition in species whose spatial niche is affected by shifting isotherms caused by climate change.展开更多
The Neoproterozoic and Lower Paleozoic along the profile of Yuanguping in western Hunan Province, China underwent anchimetamorphism. The illite crystallinity (IC) of the <2 μm fractions ranges from 0.23-0.34°...The Neoproterozoic and Lower Paleozoic along the profile of Yuanguping in western Hunan Province, China underwent anchimetamorphism. The illite crystallinity (IC) of the <2 μm fractions ranges from 0.23-0.34°△2θfor the Neoproterozoic to 0.23-0.35°△A2θ for the Lower Paleozoic (calibrated with the Kisch IC set, Kisch, 1991). This indicates that the metamorphic grade of the Neoproterozoic and Lower Paleozoic is the anchizone. The peak metamorphic temperature is estimated to be 290-210℃. This result does not agree with the greenschist or subgreenschist facies of the Banxi Group, nor with the lower-greenschist facies or sedimentary cover of the Sinian to Lower Paleozoic, as most previous researchers thought. The illite (K-mica) b0 values range from 0.9074 to 0.8963 (nm) for the Neoproterozoic and the Lower Paleozoic. Based on cumulative frequency curves of the illite (K-mica) b0, the peak metamorphic pressure of the Banxi Group was derived to be of a type that is slightly higher than that of the N. New Hampshire low-intermediate pressure type. Most illites occur as the 2M1 polytype and some in the Neoproterozoic as a mixture of the 2M1+1M types. The distributions of coherent scanning domains (CSDs) of illites along the profile, measured with the XRD method, display a lognormal model and spread out with decreasing Kubler Index of IC. It indicates that illites underwent an Ostwald ripening. The post-anchimetamorphic structural movement not only results in a series of faults but also induces the lattice strain in minerals along the faults and hence impacts the illite crystallinity and causes diagenetic samples to occur within the anchizone. Compared with the cases in eastern and central Hunan Province, the Neoproterozoic and Lower Paleozoic rocks in the west underwent a lower-temperature anchimetamorphism with a pressure lower than that in the east and higher than that in the center of Hunan Province.展开更多
X-ray diffraction (XRD) peaks in a low-angle diffraction section of clayminerals, especially those of authigenic origin, have broadening and tailing features in shape.Using the five basic parameters, peak position, pe...X-ray diffraction (XRD) peaks in a low-angle diffraction section of clayminerals, especially those of authigenic origin, have broadening and tailing features in shape.Using the five basic parameters, peak position, peak height, width, shape coefficient and asymmetry,to describe an XRD peak is more accurate, comprehensive and integrated than using only 3 of them,position, height and width. Following the concept of the five basic parameters of an XRD peak, theprogram Decoform proposed in this study provides more information in mineralogical analyses byfitting actual XRD profiles. In combination with the HW-IR plot, Decoform can he systematically andaccurately used in the comprehensive analyses of crystallinity, domain size, lattice strain andquantitative phase. It is also of value for the geological investigations of diagenesis,metamorphism, basin maturity, structural stress field and so on.展开更多
基金Project supported by the Natural Science Foundation of Jiangsu Province of China(Grant No.BK20190405)the LOEWE program of the State of Hesse,Germany,within the project FLAME(Fermi Level Engineering of Antiferroelectric Materials for Energy Storage and Insulation Systems)。
文摘The switching behavior of antiferroelectric domain structures under the applied electric field is not fully understood.In this work,by using the phase field simulation,we have studied the polarization switching property of antiferroelectric domains.Our results indicate that the ferroelectric domains nucleate preferably at the boundaries of the antiferroelectric domains,and antiferroelectrics with larger initial domain sizes possess a higher coercive electric field as demonstrated by hysteresis loops.Moreover,we introduce charge defects into the sample and numerically investigate their influence.It is also shown that charge defects can induce local ferroelectric domains,which could suppress the saturation polarization and narrow the enclosed area of the hysteresis loop.Our results give insights into understanding the antiferroelectric phase transformation and optimizing the energy storage property in experiments.
文摘Rainfall extremes have strong connotations to socio-economic activities and human well-being in Uganda’s Lake Victoria Basin (LVB). Reliable prediction and dissemination of extreme rainfall events are therefore of paramount importance to the region’s development agenda. The main objective of this study was to contribute to the prediction of rainfall extremes over this region using a numerical modelling approach. The Weather Research and Forecasting (WRF) model was used to simulate a 20-day period of extremely heavy rainfall that was observed in the March to May season of 2008. The underlying interest was to investigate the performance of different combinations of cumulus and microphysical parameterization along with the model grid resolution and domain size. The model output was validated against rainfall observations from the Tropical Rainfall Measuring Mission (TRMM) using 5 metrics;the rainfall distribution, root mean square error, mean error, probability of detection and false alarm ratio. The results showed that the model was able to simulate extreme rainfall and the most satisfactory skill was obtained with a model setup using the Grell 3D cumulus scheme combined with the SBU_YLin microphysical scheme. This study concludes that the WRF model can be used for simulating extreme rainfall over western LVB. In the other 2 regions, central and eastern LVB, its performance is limited by failure to simulate nocturnal rainfall. Furthermore, increasing the model grid resolution showed good potential for improving the model simulation especially when a large domain is used.
文摘To understand the relation between different nanostructures and thermal properties, a simple yet effective model is in demand for characterizing the underlying phonons and electrons scattering mechanisms. Herein, we make a systematic review on the newly developed thermal reffusivity theory. Like electrical resistivity which has been historically used as a theory for analyzing structural domain size and defect levels of metals, the thermal reffusivity can also uncover phonon behavior, structure defects and domain size of materials. We highlight that this new theory can be used for not only metals, but also nonmetals, even for amorphous materials. From the thermal reffusivity against temperature curves, the Debye temperature of the material and the ideal thermal diffusivity of single perfect crystal can be evaluated. From the residual thermal reffusivity at the 0 K limit, the structural thermal domain （STD） size of crystalline and amorphous materials can be obtained. The difference of white hair and normal black hair from heat conduction perspective is reported for the first time. Loss of melanin results in a worse thermal protection and a larger STD size in the white hair. By reviewing the different variation of thermal reffusivity against decreasing temperature profiles, we conclude that they reflected the structural connection in the materials. Ultimately, the future application of thermal reffusivity theory in studying 2D materials and amorphous materials is discussed.
基金Supported by the National Natural Science Foundation of China （No. 60435020）
文摘Successful prediction of protein domain boundaries provides valuable information not only for the computational structure prediction of muhi-domain proteins but also for the experimental structure determination. A novel method for domain boundary prediction has been presented, which combines the support vector machine with domain guess by size algorithm. Since the evolutional information of multiple domains can be detected by position specific score matrix, the support vector machine method is trained and tested using the values of position specific score matrix generated by PSI-BLAST. The candidate domain boundaries are selected from the output of support vector machine, and are then inputted to domain guess by size algorithm to give the final results of domain boundary, prediction. The experimental results show that the combined method outperforms the individual method of both support vector machine and domain guess by size.
基金supported by the National Science Foundation grant DMS-1853561supported by the National Science Foundation of China grants No.12250710674,12261160366,12226328.
文摘We consider a one-dimensional reaction-diffusion equation describing single-and two-species population dynamics in an advective environment,based on the modeling frameworks proposed by Lutscher et al.in 2006.We analyze the effect of rate of loss of individuals at both the upstream and downstream boundaries.In the single-species case,we prove the existence of the critical domain size and provide explicit formulas in terms of model parameters.We further derive qualitative properties of the critical domain size and show that,in some cases,the critical domain size is either strictly decreasing over all diffusion rates,or monotonically increasing after first decreasing to a minimum.We also consider competition between species differing only in their diffusion rates.For two species having large diffusion rates,we give a sufficient condition to determine whether the faster or slower diffuser wins the competition.We also briefly discuss applications of these results to competition in species whose spatial niche is affected by shifting isotherms caused by climate change.
基金supported by the National Nature Science Foundation of China(Grant No.40272022).
文摘The Neoproterozoic and Lower Paleozoic along the profile of Yuanguping in western Hunan Province, China underwent anchimetamorphism. The illite crystallinity (IC) of the <2 μm fractions ranges from 0.23-0.34°△2θfor the Neoproterozoic to 0.23-0.35°△A2θ for the Lower Paleozoic (calibrated with the Kisch IC set, Kisch, 1991). This indicates that the metamorphic grade of the Neoproterozoic and Lower Paleozoic is the anchizone. The peak metamorphic temperature is estimated to be 290-210℃. This result does not agree with the greenschist or subgreenschist facies of the Banxi Group, nor with the lower-greenschist facies or sedimentary cover of the Sinian to Lower Paleozoic, as most previous researchers thought. The illite (K-mica) b0 values range from 0.9074 to 0.8963 (nm) for the Neoproterozoic and the Lower Paleozoic. Based on cumulative frequency curves of the illite (K-mica) b0, the peak metamorphic pressure of the Banxi Group was derived to be of a type that is slightly higher than that of the N. New Hampshire low-intermediate pressure type. Most illites occur as the 2M1 polytype and some in the Neoproterozoic as a mixture of the 2M1+1M types. The distributions of coherent scanning domains (CSDs) of illites along the profile, measured with the XRD method, display a lognormal model and spread out with decreasing Kubler Index of IC. It indicates that illites underwent an Ostwald ripening. The post-anchimetamorphic structural movement not only results in a series of faults but also induces the lattice strain in minerals along the faults and hence impacts the illite crystallinity and causes diagenetic samples to occur within the anchizone. Compared with the cases in eastern and central Hunan Province, the Neoproterozoic and Lower Paleozoic rocks in the west underwent a lower-temperature anchimetamorphism with a pressure lower than that in the east and higher than that in the center of Hunan Province.
基金the National Natural Science Foundation of China (Grant No.49872033) the special pre-research project of the Basic Scientific Program.the Ministry of Science and Technology of China (Grant No. 2001CCA02400).
文摘X-ray diffraction (XRD) peaks in a low-angle diffraction section of clayminerals, especially those of authigenic origin, have broadening and tailing features in shape.Using the five basic parameters, peak position, peak height, width, shape coefficient and asymmetry,to describe an XRD peak is more accurate, comprehensive and integrated than using only 3 of them,position, height and width. Following the concept of the five basic parameters of an XRD peak, theprogram Decoform proposed in this study provides more information in mineralogical analyses byfitting actual XRD profiles. In combination with the HW-IR plot, Decoform can he systematically andaccurately used in the comprehensive analyses of crystallinity, domain size, lattice strain andquantitative phase. It is also of value for the geological investigations of diagenesis,metamorphism, basin maturity, structural stress field and so on.
