Density function M06 method has been used to optimize the geometries of camptothecin-cytosine at 6-3 I＋G＊ basis. Finally, thirteen stabilized complexes have been obtained. Theories of atoms in molecules （AIM） and ...Density function M06 method has been used to optimize the geometries of camptothecin-cytosine at 6-3 I＋G＊ basis. Finally, thirteen stabilized complexes have been obtained. Theories of atoms in molecules （AIM） and natural bond orbital （NBO） have been utilized to investigate the hydrogen bonds involved in all the complexes. The interaction energies of all the complexes are corrected by basis set superposition error （BSSE）. By the analysis of complexes interaction energy, charge density, second- order interaction energies E（2）; it is indicated that the complex 6 is the most stable structure.展开更多
The continuing increase in IC （Integrated Circuit） power levels and microelectronics packaging densities has resulted in the need for detailed considerations of the heat sink design for integrated circuits. One of t...The continuing increase in IC （Integrated Circuit） power levels and microelectronics packaging densities has resulted in the need for detailed considerations of the heat sink design for integrated circuits. One of the major components in the heat sink is the heat spreader which must be designed to effectively conduct the heat dissipated from the chip to a system of fins or extended surfaces for convective heat transfer to a flow of coolant. The heat spreader design must provide the capability to dissipate the thermal energy generated by the chip. However, the design of the heat spreader is also dependent on the convection characteristics of the fins within the heat sink, as well the material and geometry of the heat spreader. This paper focuses on the optimization of heat spreaders in a heat sink for safe and efficient performance of electronic circuits. The results of the study show that, for air-cooled electronics, the convective effects may dominate the thermal transport performance of the heat spreader in the heat sink.展开更多
The continuous mediums are divided into two kinds according to their geometrical configurations,the first one is related to Euclidian manifolds and the other one to Riemannian manifolds/surfaces in the point of view o...The continuous mediums are divided into two kinds according to their geometrical configurations,the first one is related to Euclidian manifolds and the other one to Riemannian manifolds/surfaces in the point of view of the modern geometry.Two kinds of finite deformation theories with respect to Euclidian and Riemannian manifolds have been developed in the present paper.Both kinds of theories include the definitions of initial and current physical and parametric configurations,deformation gradient tensors with properties,deformation descriptions,transport theories and governing equations of nature conservation laws.The essential property of the theory with respect to Euclidian manifolds is that the curvilinear coordinates corresponding to the current physical configurations include time explicitly through which the geometrically irregular and time varying physical configurations can be mapped in the diffeomorphism manner to the regular and fixed domains in the parametric space.It is quite essential to the study of the relationships between geometries and mechanics.The theory with respect to Riemannian manifolds provides the systemic ideas and methods to study the deformations of continuous mediums whose geometrical configurations can be considered as general surfaces.The essential property of the theory with respect to Riemannian manifolds is that the thickness variation of a patch of continuous medium is represented by the surface density and its governing equation is rigorously deduced.As some applications,wakes of cylinders with deformable boundaries on the plane,incompressible wakes of a circular cylinder on fixed surfaces and axisymmetric finite deformations of an elastic membrane are numerically studied.展开更多
The reduced density matrices of a many-body quantum system form a convex set, whose three-dimensional projection is convex in R3. The boundary of may exhibit nontrivial geometry, in particular ruled surfaces. T...The reduced density matrices of a many-body quantum system form a convex set, whose three-dimensional projection is convex in R3. The boundary of may exhibit nontrivial geometry, in particular ruled surfaces. Two physical mechanisms are known for the origins of ruled surfaces： symmetry breaking and gapless. In this work, we study the emergence of ruled surfaces for systems with local Hamiltonians in infinite spatial dimension, where the reduced density matrices are known to be separable as a consequence of the quantum de Finetti＇s theorem. This allows us to identify the reduced density matrix geometry with joint product numerical range II of the Hamiltonian interaction terms. We focus on the case where the interaction terms have certain structures, such that a ruled surface emerges naturally when taking a convex hull of ∏. We show that, a ruled surface on sitting in ∏ has a gapless origin, otherwise it has a symmetry breaking origin. As an example, we demonstrate that a famous ruled surface, known as the oloid, is a possible shape of , with two boundary pieces of symmetry breaking origin separated by two gapless lines.展开更多
基金Funded by the Health Department Science Foundation of Sichuan(Grant No. 2011-236)
文摘Density function M06 method has been used to optimize the geometries of camptothecin-cytosine at 6-3 I＋G＊ basis. Finally, thirteen stabilized complexes have been obtained. Theories of atoms in molecules （AIM） and natural bond orbital （NBO） have been utilized to investigate the hydrogen bonds involved in all the complexes. The interaction energies of all the complexes are corrected by basis set superposition error （BSSE）. By the analysis of complexes interaction energy, charge density, second- order interaction energies E（2）; it is indicated that the complex 6 is the most stable structure.
文摘The continuing increase in IC （Integrated Circuit） power levels and microelectronics packaging densities has resulted in the need for detailed considerations of the heat sink design for integrated circuits. One of the major components in the heat sink is the heat spreader which must be designed to effectively conduct the heat dissipated from the chip to a system of fins or extended surfaces for convective heat transfer to a flow of coolant. The heat spreader design must provide the capability to dissipate the thermal energy generated by the chip. However, the design of the heat spreader is also dependent on the convection characteristics of the fins within the heat sink, as well the material and geometry of the heat spreader. This paper focuses on the optimization of heat spreaders in a heat sink for safe and efficient performance of electronic circuits. The results of the study show that, for air-cooled electronics, the convective effects may dominate the thermal transport performance of the heat spreader in the heat sink.
基金supported by the National Nature Science Foundation of China (Grant Nos. 11172069 and 10872051)some key project of education reforms issued by the Shanghai Municipal Education Commission (2011)
文摘The continuous mediums are divided into two kinds according to their geometrical configurations,the first one is related to Euclidian manifolds and the other one to Riemannian manifolds/surfaces in the point of view of the modern geometry.Two kinds of finite deformation theories with respect to Euclidian and Riemannian manifolds have been developed in the present paper.Both kinds of theories include the definitions of initial and current physical and parametric configurations,deformation gradient tensors with properties,deformation descriptions,transport theories and governing equations of nature conservation laws.The essential property of the theory with respect to Euclidian manifolds is that the curvilinear coordinates corresponding to the current physical configurations include time explicitly through which the geometrically irregular and time varying physical configurations can be mapped in the diffeomorphism manner to the regular and fixed domains in the parametric space.It is quite essential to the study of the relationships between geometries and mechanics.The theory with respect to Riemannian manifolds provides the systemic ideas and methods to study the deformations of continuous mediums whose geometrical configurations can be considered as general surfaces.The essential property of the theory with respect to Riemannian manifolds is that the thickness variation of a patch of continuous medium is represented by the surface density and its governing equation is rigorously deduced.As some applications,wakes of cylinders with deformable boundaries on the plane,incompressible wakes of a circular cylinder on fixed surfaces and axisymmetric finite deformations of an elastic membrane are numerically studied.
基金supported by the Natural Sciences and Engineering Research Council of Canada,Canadian Institute for Advanced Research,Perimeter Institute for Theoretical PhysicsResearch at Perimeter Institute was supported by the Government of Canada through Industry Canada and by the Province of Ontario through the Ministry of Economic Development&Innovation
文摘The reduced density matrices of a many-body quantum system form a convex set, whose three-dimensional projection is convex in R3. The boundary of may exhibit nontrivial geometry, in particular ruled surfaces. Two physical mechanisms are known for the origins of ruled surfaces： symmetry breaking and gapless. In this work, we study the emergence of ruled surfaces for systems with local Hamiltonians in infinite spatial dimension, where the reduced density matrices are known to be separable as a consequence of the quantum de Finetti＇s theorem. This allows us to identify the reduced density matrix geometry with joint product numerical range II of the Hamiltonian interaction terms. We focus on the case where the interaction terms have certain structures, such that a ruled surface emerges naturally when taking a convex hull of ∏. We show that, a ruled surface on sitting in ∏ has a gapless origin, otherwise it has a symmetry breaking origin. As an example, we demonstrate that a famous ruled surface, known as the oloid, is a possible shape of , with two boundary pieces of symmetry breaking origin separated by two gapless lines.
