(E) -4-chloro-4' -ethoxystilbene (2a) and (E) -4, 4' - dichlorostilbene (2b) were synthesized by the Witting-Homer reaction. The crystals of 2a and 2b were prepared through solvent evaporation and characteri...(E) -4-chloro-4' -ethoxystilbene (2a) and (E) -4, 4' - dichlorostilbene (2b) were synthesized by the Witting-Homer reaction. The crystals of 2a and 2b were prepared through solvent evaporation and characterized by the single-crystal X- ray diffraction. Molecular structure analysis confirms the E- configuration of C=C bond. The crystal of 2a reveals an orthorhombic and space group Pna21 structure while 2b shows a monoclinic and space group P21/c structure. The electronic structures of 2a and 2b were optimized at B3LYP/6-311 + + G (d, p) level. The Hirshfeld surface and fingerprint plot indicate close O-H and C1-H contacts and π-π stacking in 2a and 2b. Molecular electrostatic potential shows that the O and C1 atoms of 2a and C1 atoms of 2b have the minimum energies and they are more likely to be attacked by electrophiles in reaction. Frontier molecular orbitals analysis demonstrates that the △ELuMO_HOMO of 2a and 2b are 3.85 and 3.91 eV, respectively.展开更多
The lack of an account of rationality in The Structure of Scientific Revolutions was a lacuna which Thomas Kuhn acutely felt. In this paper, I argue that Herbert Simon's notion of "satisficing" provides a formally ...The lack of an account of rationality in The Structure of Scientific Revolutions was a lacuna which Thomas Kuhn acutely felt. In this paper, I argue that Herbert Simon's notion of "satisficing" provides a formally well-developed and empirically well-established theory of rationality that fits well with Kuhn's general characterization of science. I start by considering two rival interpretations of the problem of Kuhnian rationality and introduce Simon's notion of satisficing. In Section 3, I show how satisficing can be used to interpret paradigm, change, rational theory-choice, relativism, and progress. On this account, Kuhnian scientists are not irrational. Rather they employ the same computational mechanism which allows humans to play chess.展开更多
First-principles calculations based on the density-functional theory were employed to study the crystal structure of vanadium phosphide compounds,such as V3P,V2P,VP,VP2 and VP4. Cohesive energy of five types of vanadi...First-principles calculations based on the density-functional theory were employed to study the crystal structure of vanadium phosphide compounds,such as V3P,V2P,VP,VP2 and VP4. Cohesive energy of five types of vanadium phosphide compounds was calculated to assess their structural stability. The charge density distribution and densities of states of vanadium phosphides were discussed to study further their electronic structures. The results show that the structure of metal-rich compounds is considerably more stable than the phosphorus-rich compositions,and covalent bond exists between the V and P atoms of V3P,V2P,VP,VP2 and VP4.展开更多
Doklam Standoff, a crisis of Sino-Indian bilateral relations, was a large-scale military deployment between China and India. The crisis reflects the newly forming distrust between the two countries that led to an outb...Doklam Standoff, a crisis of Sino-Indian bilateral relations, was a large-scale military deployment between China and India. The crisis reflects the newly forming distrust between the two countries that led to an outburst as a result of a series of conflicts over the past two years, which signifies that Sino-Indian relations are entering a new stage characterized by increasingly obvious structural conflict. On the surface, the Modi Administration designed the crisis to stop China from building border infrastructure, to pursue its own absolute security, to maintain South Asian order dominated by India, and to consolidate the basis of strategic cooperation among India, the United States and Japan. Ultimately, however, the British buffer zone theory, the Mandala theory, the Brahmin supremacy theory in traditional Indian culture and the US Monroe Doctrine have also shaped the mindset and behavioral patterns of the Modi Administration. Under the influence of seeking absolute security and its strategic culture, as well as the strong desire to be a great power, the assertive Modi Administration has obviously strengthened its precautionary measures and hostilities toward China. The relations between the two countries are becoming tense. In order to achieve the goal of "dragon and elephant dancing together", and to avoid the recurrence of crises like the Doklam Standoff, the two sides have to adhere to the two basic principles of viewing each other as opporttmities for development instead of threats to each other. The mindset of a zero-sum game should be abandoned, and efforts should be made to co-found mutual respect and win-win cooperation in areas of common interest.展开更多
Structural stabilities, thermodynamics stabilities, elastic properties and electronic structures of Mgl7Al12, Al2Y and AlaBa phases were analyzed by first-principles calculations with Castep and Drool3 program based o...Structural stabilities, thermodynamics stabilities, elastic properties and electronic structures of Mgl7Al12, Al2Y and AlaBa phases were analyzed by first-principles calculations with Castep and Drool3 program based on the density functional theory. The calculated results of heat of formation indicate that AI2Y phase has the strongest alloying ability. The calculated thermodynamic properties show that the thermal stability of these compounds gradually increases in the order ofMgl7Al12, A12Y and Al4Ba phases. Y or Ba addition to the Mg-Al alloys could improve the heat resistance. The calculated bulk modulus B, shear modulus G, elastic modulus E and Poisson ratio v show that the adding Y or Ba to Mg-Al alloys could promote the brittleness and stiffness, and reduce tenacity and plasticity by forming Al4Ba and Al2Y phases. The calculated cohesive energy and density of state (DOS) show that Al2Y has the strongest structural stability, then AlaBa and finally Mg17Al12. The calculated electronic structures show that Al2Y has the strongest structure stability because of the strong ionic bonds and covalent bonds combined action.展开更多
The Ti Bw reinforced near-α titanium matrix composite(Ti-5.8 Al-3.4 Zr-4.0 Sn-0.4 Mo-0.4 Nb-0.4 Si-0.06 C) was successfully synthesized by powder metallurgy and hot extrusion route. The effects of solution and agin...The Ti Bw reinforced near-α titanium matrix composite(Ti-5.8 Al-3.4 Zr-4.0 Sn-0.4 Mo-0.4 Nb-0.4 Si-0.06 C) was successfully synthesized by powder metallurgy and hot extrusion route. The effects of solution and aging temperature on the microstructure and high temperature tensile properties of the composite were investigated. The results revealed that the fine transformed β phase can be obtained by the solution treatment at β phase region and aging treatment, no other precipitates were observed. The α2 phase(Ti3 Al) can be acquired when the solution treated at α+β phase region followed by aging treatment. With increasing the aging temperature from 500 to 700℃ for 5 h, the size of α2 precipitates increases from about 5 to about 30 nm. The Ti Bw are stable without any interfacial reaction during the heat treatments. The high temperature tensile properties show that the composite performed by solution and aging treatment exhibits good strengthening effects. With increasing the aging temperature from 500 to 700℃, the strength of the composite increases at the expense of elongation due to the increment of α2 precipitates.The strength of the composite at 600℃ increases by 17% to 986 MPa after 1000℃/2 h/AC and 700℃/5 h/AC heat treatment.展开更多
文摘(E) -4-chloro-4' -ethoxystilbene (2a) and (E) -4, 4' - dichlorostilbene (2b) were synthesized by the Witting-Homer reaction. The crystals of 2a and 2b were prepared through solvent evaporation and characterized by the single-crystal X- ray diffraction. Molecular structure analysis confirms the E- configuration of C=C bond. The crystal of 2a reveals an orthorhombic and space group Pna21 structure while 2b shows a monoclinic and space group P21/c structure. The electronic structures of 2a and 2b were optimized at B3LYP/6-311 + + G (d, p) level. The Hirshfeld surface and fingerprint plot indicate close O-H and C1-H contacts and π-π stacking in 2a and 2b. Molecular electrostatic potential shows that the O and C1 atoms of 2a and C1 atoms of 2b have the minimum energies and they are more likely to be attacked by electrophiles in reaction. Frontier molecular orbitals analysis demonstrates that the △ELuMO_HOMO of 2a and 2b are 3.85 and 3.91 eV, respectively.
文摘The lack of an account of rationality in The Structure of Scientific Revolutions was a lacuna which Thomas Kuhn acutely felt. In this paper, I argue that Herbert Simon's notion of "satisficing" provides a formally well-developed and empirically well-established theory of rationality that fits well with Kuhn's general characterization of science. I start by considering two rival interpretations of the problem of Kuhnian rationality and introduce Simon's notion of satisficing. In Section 3, I show how satisficing can be used to interpret paradigm, change, rational theory-choice, relativism, and progress. On this account, Kuhnian scientists are not irrational. Rather they employ the same computational mechanism which allows humans to play chess.
基金Project(20871101)supported by the National Natural Science Foundation of ChinaProject(09C945)supported by the Scientific Research Fund of Hunan Provincial Education Department,China
文摘First-principles calculations based on the density-functional theory were employed to study the crystal structure of vanadium phosphide compounds,such as V3P,V2P,VP,VP2 and VP4. Cohesive energy of five types of vanadium phosphide compounds was calculated to assess their structural stability. The charge density distribution and densities of states of vanadium phosphides were discussed to study further their electronic structures. The results show that the structure of metal-rich compounds is considerably more stable than the phosphorus-rich compositions,and covalent bond exists between the V and P atoms of V3P,V2P,VP,VP2 and VP4.
文摘Doklam Standoff, a crisis of Sino-Indian bilateral relations, was a large-scale military deployment between China and India. The crisis reflects the newly forming distrust between the two countries that led to an outburst as a result of a series of conflicts over the past two years, which signifies that Sino-Indian relations are entering a new stage characterized by increasingly obvious structural conflict. On the surface, the Modi Administration designed the crisis to stop China from building border infrastructure, to pursue its own absolute security, to maintain South Asian order dominated by India, and to consolidate the basis of strategic cooperation among India, the United States and Japan. Ultimately, however, the British buffer zone theory, the Mandala theory, the Brahmin supremacy theory in traditional Indian culture and the US Monroe Doctrine have also shaped the mindset and behavioral patterns of the Modi Administration. Under the influence of seeking absolute security and its strategic culture, as well as the strong desire to be a great power, the assertive Modi Administration has obviously strengthened its precautionary measures and hostilities toward China. The relations between the two countries are becoming tense. In order to achieve the goal of "dragon and elephant dancing together", and to avoid the recurrence of crises like the Doklam Standoff, the two sides have to adhere to the two basic principles of viewing each other as opporttmities for development instead of threats to each other. The mindset of a zero-sum game should be abandoned, and efforts should be made to co-found mutual respect and win-win cooperation in areas of common interest.
基金Project(2011DFA50520) supported by the International Cooperation of Ministry of Science and Technology of ChinaProject(50975263) supported by the National Natural Science Foundation of ChinaProject(2010-78) supported by the Shanxi Provincial Foundation for Returned Scholars,China
文摘Structural stabilities, thermodynamics stabilities, elastic properties and electronic structures of Mgl7Al12, Al2Y and AlaBa phases were analyzed by first-principles calculations with Castep and Drool3 program based on the density functional theory. The calculated results of heat of formation indicate that AI2Y phase has the strongest alloying ability. The calculated thermodynamic properties show that the thermal stability of these compounds gradually increases in the order ofMgl7Al12, A12Y and Al4Ba phases. Y or Ba addition to the Mg-Al alloys could improve the heat resistance. The calculated bulk modulus B, shear modulus G, elastic modulus E and Poisson ratio v show that the adding Y or Ba to Mg-Al alloys could promote the brittleness and stiffness, and reduce tenacity and plasticity by forming Al4Ba and Al2Y phases. The calculated cohesive energy and density of state (DOS) show that Al2Y has the strongest structural stability, then AlaBa and finally Mg17Al12. The calculated electronic structures show that Al2Y has the strongest structure stability because of the strong ionic bonds and covalent bonds combined action.
基金supported by the National Natural Science Foundation of China(Grant Nos.51701114,11604204,51471063,51271111)the Youth Teacher Development Program of Shanghai Universities(Grant No.ZZGCD15101)+1 种基金Scientific Research Project of Shanghai University of Engineering ScienceTalents Project of Shanghai University of Engineering Science
文摘The Ti Bw reinforced near-α titanium matrix composite(Ti-5.8 Al-3.4 Zr-4.0 Sn-0.4 Mo-0.4 Nb-0.4 Si-0.06 C) was successfully synthesized by powder metallurgy and hot extrusion route. The effects of solution and aging temperature on the microstructure and high temperature tensile properties of the composite were investigated. The results revealed that the fine transformed β phase can be obtained by the solution treatment at β phase region and aging treatment, no other precipitates were observed. The α2 phase(Ti3 Al) can be acquired when the solution treated at α+β phase region followed by aging treatment. With increasing the aging temperature from 500 to 700℃ for 5 h, the size of α2 precipitates increases from about 5 to about 30 nm. The Ti Bw are stable without any interfacial reaction during the heat treatments. The high temperature tensile properties show that the composite performed by solution and aging treatment exhibits good strengthening effects. With increasing the aging temperature from 500 to 700℃, the strength of the composite increases at the expense of elongation due to the increment of α2 precipitates.The strength of the composite at 600℃ increases by 17% to 986 MPa after 1000℃/2 h/AC and 700℃/5 h/AC heat treatment.