In this paper,we construct a new sixth order iterative method for solving nonlinear equations.The local convergence and order of convergence of the new iterative method is demonstrated.In order to check the validity o...In this paper,we construct a new sixth order iterative method for solving nonlinear equations.The local convergence and order of convergence of the new iterative method is demonstrated.In order to check the validity of the new iterative method,we employ several chemical engineering applications and academic test problems.Numerical results show the good numerical performance of the new iterative method.Moreover,the dynamical study of the new method also supports the theoretical results.展开更多
The density functional theory (DFT) is the most popular method for evaluating bond dis- sociation enthalpies (BDEs) of most molecules. Thus, we are committed to looking for alternative methods that can balance the...The density functional theory (DFT) is the most popular method for evaluating bond dis- sociation enthalpies (BDEs) of most molecules. Thus, we are committed to looking for alternative methods that can balance the computational cost and higher precision to the best for large systems. The performance of DFT, double-hybrid DFT, and high-level com- posite methods are examined. The tested sets contain monocyclic and polycyclic aromatic molecules, branched hydrocarbons, small inorganic molecules, etc. The results show that the mPW2PLYP and G4MP2 methods achieve reasonable agreement with the benchmark val- ues for most tested molecules, and the mean absolute deviations are 2.43 and 1.96 kcal/mol after excluding the BDEs of branched hydrocarbons. We recommend the G4MP2 is the most appropriate method for small systems (atoms number≤20); the double-hybrid DFT methods are advised for large aromatic molecules in medium size (20≤atoms number≤50), and the double-hybrid DFT methods with empirical dispersion correction are recommended for long-chain and branched hydrocarbons in the same size scope; the DFT methods are ad- vised to apply for large systems (atoms number〉50), and the M06-2X and B3P86 methods are also favorable. Moreover, the differences of optimized geometry of different methods are discussed and the effects of basis sets for various methods are investigated.展开更多
Accurately detecting the arrival time of a channel wave in a coal seam is very important for in-seam seismic data processing. The arrival time greatly affects the accuracy of the channel wave inversion and the compute...Accurately detecting the arrival time of a channel wave in a coal seam is very important for in-seam seismic data processing. The arrival time greatly affects the accuracy of the channel wave inversion and the computed tomography (CT) result. However, because the signal-to-noise ratio of in-seam seismic data is reduced by the long wavelength and strong frequency dispersion, accurately timing the arrival of channel waves is extremely difficult. For this purpose, we propose a method that automatically picks up the arrival time of channel waves based on multi-channel constraints. We first estimate the Jaccard similarity coefficient of two ray paths, then apply it as a weight coefficient for stacking the multi- channel dispersion spectra. The reasonableness and effectiveness of the proposed method is verified in an actual data application. Most importantly, the method increases the degree of automation and the pickup precision of the channel-wave arrival time.展开更多
The range of coal-mine underground goaf has continuously expanded over time.Caving,fracture,and deformation zones have also changed,thereby inducing coal-mine water inrush and other environmental disasters.In this stu...The range of coal-mine underground goaf has continuously expanded over time.Caving,fracture,and deformation zones have also changed,thereby inducing coal-mine water inrush and other environmental disasters.In this study,4 D seismic monitoring technology that is effective in reservoir development was used to monitor abnormal changes in coal-mine underground goaf to explore the feasibility of the method.Taking a coal mine in Hancheng,Shaanxi as an example,we used the aforementioned technology to dynamically monitor the abnormal changes in the goaf.Based on the 4 D seismic data obtained in the experiment and the abnormal change characteristics of the coal-mine goaf,the method of 4 D seismic data processing in reservoir was improved.A set of 4 D data processing flow for the goaf was established,and the anomalies in the surface elevation and overlying strata velocity caused by collapse were corrected.We have made the following improvements to the method of 4 D seismic data processing in the reservoir:(1)the static correction problem caused by the changes of surface elevation and destruction of the low-velocity layer has been solved through fusion static correction to comb the low-frequency components of elevation statics with the high-frequency components of refraction statics;(2)the problem of overlying strata velocity changes in the goaf caused by collapse has been solved through the velocity consistency method;(3)the problem of reflection event pull-down in the disturbance area has been solved through space-varying moveout correction based on cross-correlation;and(4)amplitude anomalies in the coal seam caused by the goaf have been addressed using the correction method of space-varying amplitude.Results show that the 4 D seismic data processing and interpretation method established in this study is reasonable and effective.展开更多
基金supported by the National Natural Science Foundation of China (No.12271518)the Key Program of the National Natural Science Foundation of China (No.62333016)。
文摘In this paper,we construct a new sixth order iterative method for solving nonlinear equations.The local convergence and order of convergence of the new iterative method is demonstrated.In order to check the validity of the new iterative method,we employ several chemical engineering applications and academic test problems.Numerical results show the good numerical performance of the new iterative method.Moreover,the dynamical study of the new method also supports the theoretical results.
文摘The density functional theory (DFT) is the most popular method for evaluating bond dis- sociation enthalpies (BDEs) of most molecules. Thus, we are committed to looking for alternative methods that can balance the computational cost and higher precision to the best for large systems. The performance of DFT, double-hybrid DFT, and high-level com- posite methods are examined. The tested sets contain monocyclic and polycyclic aromatic molecules, branched hydrocarbons, small inorganic molecules, etc. The results show that the mPW2PLYP and G4MP2 methods achieve reasonable agreement with the benchmark val- ues for most tested molecules, and the mean absolute deviations are 2.43 and 1.96 kcal/mol after excluding the BDEs of branched hydrocarbons. We recommend the G4MP2 is the most appropriate method for small systems (atoms number≤20); the double-hybrid DFT methods are advised for large aromatic molecules in medium size (20≤atoms number≤50), and the double-hybrid DFT methods with empirical dispersion correction are recommended for long-chain and branched hydrocarbons in the same size scope; the DFT methods are ad- vised to apply for large systems (atoms number〉50), and the M06-2X and B3P86 methods are also favorable. Moreover, the differences of optimized geometry of different methods are discussed and the effects of basis sets for various methods are investigated.
基金supported by the National Major Scientific and Technological Special Project during the 13th Five-year Plan Period(No.2016ZX05045003-005)
文摘Accurately detecting the arrival time of a channel wave in a coal seam is very important for in-seam seismic data processing. The arrival time greatly affects the accuracy of the channel wave inversion and the computed tomography (CT) result. However, because the signal-to-noise ratio of in-seam seismic data is reduced by the long wavelength and strong frequency dispersion, accurately timing the arrival of channel waves is extremely difficult. For this purpose, we propose a method that automatically picks up the arrival time of channel waves based on multi-channel constraints. We first estimate the Jaccard similarity coefficient of two ray paths, then apply it as a weight coefficient for stacking the multi- channel dispersion spectra. The reasonableness and effectiveness of the proposed method is verified in an actual data application. Most importantly, the method increases the degree of automation and the pickup precision of the channel-wave arrival time.
基金funded by the National Key Research and Development Program Subject(No.2018YFC0807804)。
文摘The range of coal-mine underground goaf has continuously expanded over time.Caving,fracture,and deformation zones have also changed,thereby inducing coal-mine water inrush and other environmental disasters.In this study,4 D seismic monitoring technology that is effective in reservoir development was used to monitor abnormal changes in coal-mine underground goaf to explore the feasibility of the method.Taking a coal mine in Hancheng,Shaanxi as an example,we used the aforementioned technology to dynamically monitor the abnormal changes in the goaf.Based on the 4 D seismic data obtained in the experiment and the abnormal change characteristics of the coal-mine goaf,the method of 4 D seismic data processing in reservoir was improved.A set of 4 D data processing flow for the goaf was established,and the anomalies in the surface elevation and overlying strata velocity caused by collapse were corrected.We have made the following improvements to the method of 4 D seismic data processing in the reservoir:(1)the static correction problem caused by the changes of surface elevation and destruction of the low-velocity layer has been solved through fusion static correction to comb the low-frequency components of elevation statics with the high-frequency components of refraction statics;(2)the problem of overlying strata velocity changes in the goaf caused by collapse has been solved through the velocity consistency method;(3)the problem of reflection event pull-down in the disturbance area has been solved through space-varying moveout correction based on cross-correlation;and(4)amplitude anomalies in the coal seam caused by the goaf have been addressed using the correction method of space-varying amplitude.Results show that the 4 D seismic data processing and interpretation method established in this study is reasonable and effective.