We analyze the influences of interstitial atoms on the generalized stacking fault energy (GSFE), strength, and ductility of Ni by first-principles calculations. Surface energies and GSFE curves are calculated for t...We analyze the influences of interstitial atoms on the generalized stacking fault energy (GSFE), strength, and ductility of Ni by first-principles calculations. Surface energies and GSFE curves are calculated for the (112) (111) and / 101) ( 1 1 1) systems. Because of the anisotropy of the single crystal, the addition of interstitials tends to promote the strength of Ni by slipping along the (10T) direction while facilitating plastic deformation by slipping along the (115) direction. There is a different impact on the mechanical behavior of Ni when the interstitials are located in the slip plane. The evaluation of the Rice criterion reveals that the addition of the interstitials H and O increases the brittleness in Ni and promotes the probability of cleavage fracture, while the addition of S and N tends to increase the ductility. Besides, P, H, and S have a negligible effect on the deformation tendency in Ni, while the tendency of partial dislocation is more prominent with the addition of N and O. The addition of interstitial atoms tends to increase the high-energy barrier γmax, thereby the second partial resulting from the dislocation tends to reside and move on to the next layer.展开更多
In this paper, we adopt a novel topological approach to fault diagnosis. In our researches, global information will be introduced into electric power network, we are using mainly BFS of graph theory algorithms and lin...In this paper, we adopt a novel topological approach to fault diagnosis. In our researches, global information will be introduced into electric power network, we are using mainly BFS of graph theory algorithms and linear discriminant principle to resolve fast and exact analysis of faulty components and faulty sections, and finally accomplish fault diagnosis. The results of BFS and linear discriminant are identical. The main technical contributions and innovations in this paper include, introducing global information into electric power network, developing a novel topological analysis to fault diagnosis. Graph theory algorithms can be used to model many different physical and abstract systems such as transportation and communication networks, models for business administration, political science, and psychology and so on. And the linear discriminant is a procedure used to classify an object into one of several a priori groupings dependent on the individual characteristics of the object. In the study of fault diagnosis in electric power network, graph theory algorithms and linear discriminant technology must also have a good prospect of application.展开更多
In the Qiongdongnan Basin, faults are well developed.Based on the drilling results, the traps controlled two or more faults are oil-rich. However, when only one fault cut through the sand body, there is no sign for hy...In the Qiongdongnan Basin, faults are well developed.Based on the drilling results, the traps controlled two or more faults are oil-rich. However, when only one fault cut through the sand body, there is no sign for hy-drocarbon accumulation in the sandstone. In terms of this phenomenon, the principle of reservoir-forming controlled by fault terrace is proposed, i.e., when the single fault activates, because of the incompressibility of pore water, the resistance of pore and the direction of buoyancy, it is impossible for hydrocarbon to ac-cumulate in sandstone. But when there are two or more faults, one of the faults acts as the spillway so the hydrocarbon could fill in the pore of sandstone through other faults. In total five gas bearing structures and four failure traps are considered, as examples to demonstrate our findings. According to this theory, it is well-advised that south steep slope zone of Baodao-Changchang Depression, south gentle slope zone of Lingshui Depression, north steep slope zone of Lingshui Depression, and north steep slope zone of Baodao Depression are the most favorable step-fault zones, which are the main exploration direction in next stage.展开更多
First-principles calculations were performed to investigate the structures and energetics of {101n} coherent twin boundaries(CTBs) and glide twin boundaries(GTBs) in hexagonal close-packed(hcp) Ti. The formation mecha...First-principles calculations were performed to investigate the structures and energetics of {101n} coherent twin boundaries(CTBs) and glide twin boundaries(GTBs) in hexagonal close-packed(hcp) Ti. The formation mechanism of GTBs and their correlation with twin growth were fundamentally explored. Results suggested that GTBs can form from the gliding of CTBs, through their interaction with basal stacking fault. The gliding eventually restored the CTB structures by forming a pair of single-layer twinning disconnections. The pile-up of twinning disconnections should be responsible for the wide steps at twin boundaries as observed in high-resolution transmission electron microscopy, which can further promote twin growth. Possible effects of various alloying elements on pinning twin boundaries were also evaluated, to guide the strengthening design of Ti alloys.展开更多
Bilayer graphene quantum dots with rotational stacking faults(RSFs) having different rotational angles were studied.Using the first-principles calculation, we determined that these stacking faults could quantitatively...Bilayer graphene quantum dots with rotational stacking faults(RSFs) having different rotational angles were studied.Using the first-principles calculation, we determined that these stacking faults could quantitatively modulate the magnetism and the distribution of spin and energy levels in the electronic structures of the dots.In addition, by examining the spatial distribution of unpaired spins and Bader charge analysis, we found that the main source of magnetic moment originated from the edge atoms of the quantum dots.Our research results can potentially provide a new path for producing all-carbon nanodevices with different electrical and magnetic properties.展开更多
基金supported by the National Natural Science Foundation of China(Grant No 51371123)the Specialized Research Fund for the Doctoral Program of Higher Education of China(Grant No.2013140211003)+1 种基金the Natural Science Foundation of Shanxi Science Technological Commission,China(Grant No.2014011002)the Scientific and Technological Research Program of Chongqing Municipal Education Commission,China(Grant No.KJ131315)
文摘We analyze the influences of interstitial atoms on the generalized stacking fault energy (GSFE), strength, and ductility of Ni by first-principles calculations. Surface energies and GSFE curves are calculated for the (112) (111) and / 101) ( 1 1 1) systems. Because of the anisotropy of the single crystal, the addition of interstitials tends to promote the strength of Ni by slipping along the (10T) direction while facilitating plastic deformation by slipping along the (115) direction. There is a different impact on the mechanical behavior of Ni when the interstitials are located in the slip plane. The evaluation of the Rice criterion reveals that the addition of the interstitials H and O increases the brittleness in Ni and promotes the probability of cleavage fracture, while the addition of S and N tends to increase the ductility. Besides, P, H, and S have a negligible effect on the deformation tendency in Ni, while the tendency of partial dislocation is more prominent with the addition of N and O. The addition of interstitial atoms tends to increase the high-energy barrier γmax, thereby the second partial resulting from the dislocation tends to reside and move on to the next layer.
文摘In this paper, we adopt a novel topological approach to fault diagnosis. In our researches, global information will be introduced into electric power network, we are using mainly BFS of graph theory algorithms and linear discriminant principle to resolve fast and exact analysis of faulty components and faulty sections, and finally accomplish fault diagnosis. The results of BFS and linear discriminant are identical. The main technical contributions and innovations in this paper include, introducing global information into electric power network, developing a novel topological analysis to fault diagnosis. Graph theory algorithms can be used to model many different physical and abstract systems such as transportation and communication networks, models for business administration, political science, and psychology and so on. And the linear discriminant is a procedure used to classify an object into one of several a priori groupings dependent on the individual characteristics of the object. In the study of fault diagnosis in electric power network, graph theory algorithms and linear discriminant technology must also have a good prospect of application.
基金The Key Projects in the National Science &Technology Pillar Program during the Twelfth Five-year Plan Period under contract No.2011ZX05025-002-05
文摘In the Qiongdongnan Basin, faults are well developed.Based on the drilling results, the traps controlled two or more faults are oil-rich. However, when only one fault cut through the sand body, there is no sign for hy-drocarbon accumulation in the sandstone. In terms of this phenomenon, the principle of reservoir-forming controlled by fault terrace is proposed, i.e., when the single fault activates, because of the incompressibility of pore water, the resistance of pore and the direction of buoyancy, it is impossible for hydrocarbon to ac-cumulate in sandstone. But when there are two or more faults, one of the faults acts as the spillway so the hydrocarbon could fill in the pore of sandstone through other faults. In total five gas bearing structures and four failure traps are considered, as examples to demonstrate our findings. According to this theory, it is well-advised that south steep slope zone of Baodao-Changchang Depression, south gentle slope zone of Lingshui Depression, north steep slope zone of Lingshui Depression, and north steep slope zone of Baodao Depression are the most favorable step-fault zones, which are the main exploration direction in next stage.
基金the financial support from the National MCF Energy R&D Program of China (2018YFE0306100)the National Natural Science Foundation of China (51971249)the State Key Laboratory for Powder Metallurgy,Central South University,Changsha,China
文摘First-principles calculations were performed to investigate the structures and energetics of {101n} coherent twin boundaries(CTBs) and glide twin boundaries(GTBs) in hexagonal close-packed(hcp) Ti. The formation mechanism of GTBs and their correlation with twin growth were fundamentally explored. Results suggested that GTBs can form from the gliding of CTBs, through their interaction with basal stacking fault. The gliding eventually restored the CTB structures by forming a pair of single-layer twinning disconnections. The pile-up of twinning disconnections should be responsible for the wide steps at twin boundaries as observed in high-resolution transmission electron microscopy, which can further promote twin growth. Possible effects of various alloying elements on pinning twin boundaries were also evaluated, to guide the strengthening design of Ti alloys.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11374174,51390471,51527803,and 51701143)the National Basic Research Program of China(Grant No.2015CB654902)+4 种基金the National Key Research and Development Program of China(Grant No.2016YFB0700402)the Foundation for the Author of National Excellent Doctoral Dissertation,China(Grant No.201141)the Tianjin Municipal Education Commission,Chinathe Tianjin Municipal Science and Technology Commission,Chinathe Fundamental Research Fund of Tianjin University of Technology
文摘Bilayer graphene quantum dots with rotational stacking faults(RSFs) having different rotational angles were studied.Using the first-principles calculation, we determined that these stacking faults could quantitatively modulate the magnetism and the distribution of spin and energy levels in the electronic structures of the dots.In addition, by examining the spatial distribution of unpaired spins and Bader charge analysis, we found that the main source of magnetic moment originated from the edge atoms of the quantum dots.Our research results can potentially provide a new path for producing all-carbon nanodevices with different electrical and magnetic properties.
基金Key Research and Development Program of Shandong Province,China (No. 2021ZLGX01)the National Natural Science Foundation of China (No. 52071190)the Shandong Provincial Natural Science Foundation,China (No. ZR2021YQ34)。