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51.
The equation of state (EOS) and the axial ratio c/a of ε-Fe at high pressures are investigated by using the gen- eralized gradient approximation (GGA) within the plane-wave pseudopotential density functional theory (DFT). The results show that at the lower pressure, the EOS of ferromagnetic ε-Fe is consistent with the experimental result. While at higher pressure, the EOS of the nonmagnetic ε-Fe is in good agreement with the experimental result. Meanwhile, we find an obvious increase of the axial ratio c/a with pressure, and there is only a small increase with increasing temperature at high pressure. 相似文献
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用二级氢气炮作为冲击压缩加载工具和多通道瞬态辐射高温计作为主要测量系统,对装有初始压力为6 MPa和1.2 MPa的氦气、氘气和氢氘混合气体冲击压缩等离子体的光谱幅亮度历史进行了测量。根据实测记录信号波形的有关特征量,拟合得到了冲击压缩LY12铝基板表面光反射率R。结果发现:受冲击LY12铝基板表面对340~800 nm波长向不同充气介质氦气、氘气和氢氘混合气体等离子体卸载后的光反射率为约0.4,为静态下铝基板反射率(约0.8)的一半。并对动态加载下反射率降低的机理进行了探讨。 相似文献
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Since Wigner et al. proposed that hydrogen would become metallic under sufficient pressure compres- sions in 1935,scientists have paid their attention on making metallic hydrogen at high pressures, and con- siderable progresses were made in theoretical and ex- perimental researches. Nellis et al. observed that the electrical resistivity of fluid hydrogen declined by several orders of magnitude when liquid hydrogen was multiply shocked to 140 GPa, and concluded that fluid hydrogen underwent metallization phase tran- sition from semiconductor to metal in their experi- ments. Although further researches should be carried out to distinguish the highly conductive state and the metallic state of fluid hydrogen, researchers have made great efforts to find new technical approaches to de- crease the threshold pressure for hydrogen metalliza- tion. For this purpose, hydrogen-rich compounds at- tract much attention. Some researchers believed that non-hydrogen elements in those compounds may re- duce, to some extent, the activation energy of met- allization by the effect of chemical pre-compression. Silane, a typical hydrogen-rich compound of group IV hydrides, has been the subject of most of the theoretical and experimental research so far, and it was also expected to be a potential candidate for a high-To superconductor at high pressure research.[61 Compared to hydrocarbons,[71 the chemical bonds in the silane molecule are theoretically more sensitive to pressure and temperature. At sufficiently high pres- sure and temperature, the fluid silane possibly be- comes some metallic alloy consisting of hydrogen and silicon elements. Theoretical calculations showed thatthe metallic transition for the silane system may oc- cur even below 100 GPa, while there are also some other later articles that claimed that silane would re- main an insulator up to around 200 GPa and became metallic and supconducting at 220 GPa with a theo- retical Tc of 16 K. Recently, Eremets et al. have re- ported that silane can transform to metal at 50 GPa, 相似文献
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对类镓等电子序列GaⅠ-XeⅩⅪⅤ离子4s^24p,4s4p^2,4s^25s组态能级结构和组态相互作用进行了理论分析,找出沿等电子序列的变化规律。用我们提出的拟合公式预测SnⅩⅩ-TeⅩⅫ离子4s^24p,4s4p^2,4s^25s组态能级,并给出4s^24p-4s4p^2,4s^24p-4s^25s谱线波长和HXR方法的理论计算振子强度,理论计算值与实验值进行了比较。 相似文献
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本文对类镓等电子序列GaⅠ—XeⅩⅩⅠⅤ离子4s24p、4s24d、4s4p2、4p3和4s25s组态能级结构和组态相互作用进行了理论分析,找出沿等电子序列的变化规律。用作者提出的半经验公式[1],内插预测了TcⅩⅢ离子的4s24p、4s4p2和4s25s组态能级,外推预测了TcⅩⅢ—RhⅩⅤ离子的4p3和4s24d组态能级,并给出了4s24p4s24d、4s24p4s4p2、4s24p4s25s、4p34s25s和4s4p2—4p3谱线波长和HXR方法理论计算振子强度。用作者提出的半经验公式对组态能级的预测值与实验值的最大偏差小于100cm-1。 相似文献
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The relation between particle velocity Up, up to 4 km/s, and shock wave velocity Us in copper has been simulated with ab initio molecular dynamics. The simulated relationship without considering the correction of zero-point and finite temperature effects is Us = 4.23 1.53Up. After considering the correction the relation becomes Us = 4.08 1.53Up, which is consistent with the experimental result. 相似文献