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It means AIMD is a reliable method to simulate liquid and amorphous systems. All the supercells employed in our paper contain more than 100 particles and the simulation time is about several picoseconds.

结果显示,我们的模拟虽然仅仅选取64(和100)个原子的立方超元胞和20皮秒的模拟时间,但是得到的数据与实验结果极为吻合,说明从头算分子动力学方法模拟非晶态合金是可靠的。

The second-order perturbation formulas of the g factors and hyperfine structure constants for the lowest Kramers doublet Γ〓 of a 3d〓 ion under various octahedral symmetries (cubic, tetragonal, trigonal and rhombic) are established.

在较统一的理论模型和计算方法上建立了在各种对称性(立方、四角、三角和斜方)的八面体晶场中3d〓离子最低Kramers双重态Γ〓的g和A因子的二阶微扰公式,其中包含了前人通常忽略的组态相互作用、共价效应以及低对称畸变对自旋哈密顿参量的贡献。

Cold rolling and recrystallisation textures were studied systematically by X-ray.

研究结果表明:Ni-5%W基带是一较好的组分,通过大的冷轧形变量、较高的退火温度和两步退火的方式,有利于在Ni-5%W基带中形成单一的、强的立方织构。

The results show that the heavier cold rolling reduction; higher temperature of annealing and a two-step recrystallisation annealing are beneficial to the forming of cube texture in Ni-W substrates.

研究结果表明:Ni-5%W基带是一个比较好的组分,通过大的冷轧形变量、较高的退火温度和两步退火的方式,有利于在Ni-5%W基带中形成单一的、强的立方织构。

The all-new LS7 in the '06 Z06 reintroduces the 427-cubic-inch engine to the Corvette lineup.

全在'06 Z06的新LS7重新引入了427立方英寸引擎克尔维特阵容。

Large-scale factory, now has more than 70 cubic edge-type gas furnace production lines.

本厂规模大,现拥有70多立方棱式煤气窑炉生产线。

Generlly,a certain number of cubic inches is considered the equivalent of a pound of weight.

一般来说,一定数量的立方英寸等同于一磅。

The result shows that the curve has a minimal energy of -67.160922 a.u. at R = 4.77 a0, which means that the Li9 cluster may be formed stably in the body-centred cubic structure.

结果显示曲线在R = 4.77 a0处有一极小值-67.160922 a.u。,这表明Li9团簇的体心立方结构是可能稳定存在的。

In this paper,a modified Arrhenius equation was proposed,based on the measurement and analysis of the conductivity for three kinds of Y2O3-stablized ZrO2,to describe the temperature dependence of the ionic conductivity.

本文通过对实验获得的几种Y2O3稳定立方ZrO2 材料的电导率-温度关系的分析,对经典的Arrhenius公式进行了修正。

The hollow Ni2 microspheres were prepared via the hydrothermal reaction of NiCl2 with aqueous ammonia at 140 ℃ for 12 h.

采用X射线衍射仪、扫描电镜和透射电子显微镜对产物进行表征,并在室温下测试了它的磁学性能,结果表明, Ni2空心微球的直径约为3~4 μm,它是由尺寸1.1~1.3 μm左右的六方相结构的Ni2纳米片组装而成; NiO空心微球是由立方相纳米片和多孔纳米片组装而成,它具有弱的铁磁性,其矫顽力为583 Oe,剩余磁化强度为0.213 emu/g。

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With Death guitarist Schuldiner adopting vocal duties, the band made a major impact on the scene.

随着死亡的吉他手Schuldiner接受主唱的职务,乐队在现实中树立了重要的影响。

But he could still end up breakfasting on Swiss-government issue muesli because all six are accused of nicking around 45 million pounds they should have paid to FIFA.

不过他最后仍有可能沦为瑞士政府&议事餐桌&上的一道早餐,因为这所有六个人都被指控把本应支付给国际足联的大约4500万英镑骗了个精光。

Closes the eye, the deep breathing, all no longer are the dreams as if......

关闭眼睛,深呼吸,一切不再是梦想,犹如。。。。。。