用改进遗传算法求解矩阵实特征值

依据矩阵特征值的分布理论,通过确定矩阵实特征值的分布区域,用实数编码和具有自适应交叉概率和变异概率的遗传算法来求解矩阵实特征值的近似值.仿真结果表明,此算法可以达到一定的精度,具有一定的通用性.并给求矩阵特征值提供了一种快速的方法.     

A density functional theory study on size-dependent structures,stabilities,and electronic properties of bimetallic M_nAg_m(M=Na,Li;n + m≤7) clusters

The equilibrium geometries,relative stabilities,and electronic properties of Mn Agm(M=Na,Li;n + m ≤ 7) as well as pure Ag n,Na n,Li n(n ≤ 7) clusters are systematically investigated by means of the density functional theory.The optimized geometries reveal that for 2 ≤ n ≤ 7,there are significant similarities in geometry among pure Ag n,Na n,and Li n clusters,and the transitions from planar to three-dimensional configurations occur at n = 7,7,and 6,respectively.In contrast,the first three-dimensional(3D) structures are observed at n + m = 5 for both Na n Ag m and Li n Ag m clusters.When n + m ≥ 5,a striking feature is that the trigonal bipyramid becomes the main subunit of Li n Ag m.Furthermore,dramatic odd-even alternative behaviours are obtained in the fragmentation energies,secondorder difference energies,highest occupied and lowest unoccupied molecular orbital energy gaps,and chemical hardness for both pure and doped clusters.The analytic results exhibit that clusters with an even electronic configuration(2,4,6) possess the weakest chemical reactivity and more enhanced stability.     

Atomistic simulation of fcc-bcc phase transition in single crystal Al under uniform compression

By molecular dynamics simulations employing an embedded atom model potential,we investigate the fcc-to-bcc phase transition in single crystal Al,caused by uniform compression.Results show that the fcc structure is unstable when the pressure is over 250 GPa,in reasonable agreement with the calculated value through the density functional theory.The morphology evolution of the structural transition and the corresponding transition mechanism are analysed in detail.The bcc (011) planes are transited from the fcc (11) plane and the (11) plane.We suggest that the transition mechanism consists mainly of compression,shear,slid and rotation of the lattice.In addition,our radial distribution function analysis explicitly indicates the phase transition of Al from fcc phase to bcc structure.     

求f(x)的若干方法

换元法例１已知ｆ（ｓｉｎｘ－１）＝ｃｏｓ２ｘ＋２,求ｆ（ｘ）．解设ｓｉｎｘ－１＝ｔ,∴ｓｉｎｘ＝ｔ＋１（－２≤ｔ≤０）,则ｃｏｓ２ｘ＝１－ｓｉｎ２ｘ＝１－（ｔ＋１）２,∴ｆ（ｔ）＝１－（ｔ＋１）２＋２（－２≤ｔ≤０）,∴ｆ（ｘ）＝－ｘ２－２ｘ＋２（－...