基于绝对节点坐标的多柔体系统动力学高效计算方法

绝对节点坐标法已经被广泛应用于柔性多体系统的动力学研究之中, 但是其计算效率问题尚未得到很好的解决. 基于绝对节点坐标方法计算弹性力及其对广义坐标的偏导数矩阵(Jacobi矩阵), 通常是基于第二类Piola-Kirchhoff应力张量来完成, 计算效率不高.根据虚功原理并采用第一类Piola-Kirchhoff应力张量的方法直接推导得到了弹性力及其Jacobi矩阵的解析表达式. 基于不同方法所得的数值算例结果对比研究表明, 该方法可使计算效率大大提高.      

Z-scan analysis of high-order nonlinear refraction effect induced by using elliptic Gaussian beam

The irradiance of an elliptic Gaussian beam that is high enough to excite high-order nonlinear refraction effect is used to calculate the normalized on-axis transmittance function in the z-scan technique by introducing complex beam parameters which make the calculation simpler. The transmittance formula is applied to the first-, first two-, and first three-order nonlinearities. Numerical evaluation shows that the symmetry no longer holds when using an elliptic Gaussian beam instead of a circular Gaussian beam. A distortion is observed in the central part of the curve, which decreases as ellipticity increases. Moreover, the variation of the normalized peak-valley difference decreases as ellipticity decreases.     

Periodic, quasiperiodic and chaotic discrete breathers in a parametrical driven two-dimensional discrete diatomic Klein--Gordon lattice

We study a two-dimensional (2D) diatomic lattice of anharmonic oscillators with only quartic nearest-neighbor interactions, in which discrete breathers (DBs) can be explicitly constructed by an exact separation of their time and space dependence. DBs can stably exist in the 2D discrete diatomic Klein--Gordon lattice with hard and soft on-site potentials. When a parametric driving term is introduced in the factor multiplying the harmonic part of the on-site potential of the system, we can obtain the stable quasiperiodic discrete breathers (QDBs) and chaotic discrete breathers (CDBs) by changing the amplitude of the driver. But the DBs and QDBs with symmetric and anti-symmetric profiles that are centered at a heavy atom are more stable than at a light atom, because the frequencies of the DBs and QDBs centered at a heavy atom are lower than those centered at a light atom.     

The 3D solitons and vortices in 3D discrete monatomic lattices with cubic and quartic nonlinearity

By virtue of the method of multiple-scale and the quasi-discreteness approach, we have discussed the nonlinear vibration equation of a 3D discrete monatomic lattice with its nearest-neighbours interaction. The 3D simple cubic lattices have the same localized modes as a 1D discrete monatomic chain with cubic and quartic nonlinearity. The nonlinear vibration in the 3D simple cubic lattice has 3D distorted solitons and 3D envelop solitons in the direction of $k_{x}=k_{y}=k_{z}=k$ and $k=\pm \pi$/6$a_{0}$ in the Brillouin zone, as well as has 3D vortices in the direction of $k_{x}=k_{y}=k_{z}=k$ and $k=\pm \pi$/$a_{0}$ in the Brillouin zone.     

Ti、Cr对钒抗氧化性能影响的第一性原理研究

高温氧化是限制钒合金应用的主要原因之一。利用第一性原理计算了Ti、Cr杂质原子掺入钒基体后，O在钒合金中的杂质形成能的变化。结果表明：O杂质原子在钒中占据八面体间隙位更稳定，且杂质形成能为-4.65eV，Ti掺杂会降低O的杂质形成能，使O在晶体内部扩散更容易，Cr掺杂的情况与Ti掺杂相反。并且还计算了体系电子结构、布局分布和电荷密度，进一步分析所得到的结论与杂质形成能的计算结果一致。