A slightly modified central atoms model was proposed. The probabilities of various clusters with the central atoms and their nearest neighboring shells can be calculated neglecting the assumption of the parameter of e...A slightly modified central atoms model was proposed. The probabilities of various clusters with the central atoms and their nearest neighboring shells can be calculated neglecting the assumption of the parameter of energy in the central atoms model in proportion to the number of other atoms i (referred with the central atom). A parameter P α is proposed in this model, which equals to reciprocal of activity coefficient of α component, therefore, the new model can be understood easily. By this model, the Al Zn phase diagram and its thermodynamic properties were calculated, the results coincide with the experimental data.展开更多
We study the uncertainty relation for three quantum systems in the N-dimensional space by using the virial theorem (VT). It is shown that this relation depends on the energy spectrum of the system as well as on the sp...We study the uncertainty relation for three quantum systems in the N-dimensional space by using the virial theorem (VT). It is shown that this relation depends on the energy spectrum of the system as well as on the space dimension N. It is pointed out that the form of lower bound of the inequality, which is governed by the ground state, depends on the system and on the space dimension N. A comparison between our result for the lower bound and recent results, based on information-theoretic approach, is pointed out. We examine and analyze these derived uncertainties for different angular momenta with a special attention made for the large N limit.展开更多
Some numerical models such as central atoms model （CAM） and superelement model were used to simulate the thermodynamics of austenite decomposition in the Fe-C-Mn-Si TRIP （transformation induced plasticity） steels....Some numerical models such as central atoms model （CAM） and superelement model were used to simulate the thermodynamics of austenite decomposition in the Fe-C-Mn-Si TRIP （transformation induced plasticity） steels. Thermodynamic calculations were carried out under a para-equilibrium （PE） condition. The results show that certain silicon content can accelerate the polygonal ferritic transformation and increase the volume fraction and stability of retained austenite by retarding the precipitation of carbides during the bainitic transformation.展开更多
In this paper, the boundedness of mulitilinear commutator [-b,T] on Herz-type space is considered, where T is a standard Calderon-Zygmund singular operator and -b ∈ （BMO（Rn））m.
Passivation,as a classical surface treatment technique,has been widely accepted in start-of-the-art perovskite solar cells(PSCs)that can effectively modulate the electronic and chemical property of defective perovskit...Passivation,as a classical surface treatment technique,has been widely accepted in start-of-the-art perovskite solar cells(PSCs)that can effectively modulate the electronic and chemical property of defective perovskite surface.The discovery of inorganic passivation compounds,such as oxysalts,has largely advanced the efficiency and lifetime of PSCs on account of its favorable electrical property and remarkable inherent stability,but a lack of deep understanding of how its local configuration affects the passivation effectiveness is a huge impediment for future interfacial molecular engineering.Here,we demonstrate the central-atom-dependent-passivation of oxysalt on perovskite surface,in which the central atoms of oxyacid anions dominate the interfacial oxygen-bridge strength.We revealed that the balance of local interactions between the central atoms of oxyacid anions(e.g.,N,C,S,P,Si)and the metal cations on perovskite surface(e.g.,Pb)generally determines the bond formation at oxysalt/perovskite interface,which can be understood by the bond order conservation principle.Silicate with less electronegative Si central atoms provides strong O-Pb motif and improved passivation effect,delivering a champion efficiency of 17.26%for CsPbI2Br solar cells.Our strategy is also universally effective in improving the device performance of several commonly used perovskite compositions.展开更多
文摘A slightly modified central atoms model was proposed. The probabilities of various clusters with the central atoms and their nearest neighboring shells can be calculated neglecting the assumption of the parameter of energy in the central atoms model in proportion to the number of other atoms i (referred with the central atom). A parameter P α is proposed in this model, which equals to reciprocal of activity coefficient of α component, therefore, the new model can be understood easily. By this model, the Al Zn phase diagram and its thermodynamic properties were calculated, the results coincide with the experimental data.
文摘We study the uncertainty relation for three quantum systems in the N-dimensional space by using the virial theorem (VT). It is shown that this relation depends on the energy spectrum of the system as well as on the space dimension N. It is pointed out that the form of lower bound of the inequality, which is governed by the ground state, depends on the system and on the space dimension N. A comparison between our result for the lower bound and recent results, based on information-theoretic approach, is pointed out. We examine and analyze these derived uncertainties for different angular momenta with a special attention made for the large N limit.
基金Item Sponsored by National Natural Science Foundation of China (50334010)
文摘Some numerical models such as central atoms model （CAM） and superelement model were used to simulate the thermodynamics of austenite decomposition in the Fe-C-Mn-Si TRIP （transformation induced plasticity） steels. Thermodynamic calculations were carried out under a para-equilibrium （PE） condition. The results show that certain silicon content can accelerate the polygonal ferritic transformation and increase the volume fraction and stability of retained austenite by retarding the precipitation of carbides during the bainitic transformation.
基金Supported by the National Natural Science Foundation of China(10771054, 10861010)the Scientific Re-search Program of Institutions of Higher Education of XinJiang(2008S58)the Natural Science Fund of Xinjiang University(YX080106, BS090101)
文摘In this paper, the boundedness of mulitilinear commutator [-b,T] on Herz-type space is considered, where T is a standard Calderon-Zygmund singular operator and -b ∈ （BMO（Rn））m.
基金Ze Qing Lin and Hui Jun Lian contributed equally to this work.This work was financially supported by National Natural Science Fund for Excellent Young Scholars(52022030)International(Regional)Cooperation and Exchange Projects of the National Natural Science Foundation of China(51920105003)+4 种基金National Natural Science Fund for Distinguished Young Scholars(51725201)National Ten Thousand Talent Program for Young Top-notch Talent,National Natural Science Foundation of China(51902185,51972111)Innovation Program of Shanghai Municipal Education Commission(E00014)Shanghai Engineering Research Center of Hierarchical Nanomaterials(18DZ2252400)The authors also thank the Frontiers Science Center for Materiobiology and Dynamic Chemistry.
文摘Passivation,as a classical surface treatment technique,has been widely accepted in start-of-the-art perovskite solar cells(PSCs)that can effectively modulate the electronic and chemical property of defective perovskite surface.The discovery of inorganic passivation compounds,such as oxysalts,has largely advanced the efficiency and lifetime of PSCs on account of its favorable electrical property and remarkable inherent stability,but a lack of deep understanding of how its local configuration affects the passivation effectiveness is a huge impediment for future interfacial molecular engineering.Here,we demonstrate the central-atom-dependent-passivation of oxysalt on perovskite surface,in which the central atoms of oxyacid anions dominate the interfacial oxygen-bridge strength.We revealed that the balance of local interactions between the central atoms of oxyacid anions(e.g.,N,C,S,P,Si)and the metal cations on perovskite surface(e.g.,Pb)generally determines the bond formation at oxysalt/perovskite interface,which can be understood by the bond order conservation principle.Silicate with less electronegative Si central atoms provides strong O-Pb motif and improved passivation effect,delivering a champion efficiency of 17.26%for CsPbI2Br solar cells.Our strategy is also universally effective in improving the device performance of several commonly used perovskite compositions.
