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71.
采用量子化学自洽场方法及原子团簇理论对固氦晶格原子势能进行多体展开,定量确定了最近邻原子间距R在0.26—0.175nm之间,短程的两体到五体相互作用对晶体结合能及压缩特性的贡献,并对不同间距下多体展开式的截断位置进行了讨论. 结果表明:当最近邻原子间距R在0.26—0.175 nm之间取值,在具有hcp相结构的晶格中,氦原子势能的多体展开式是一收敛的交错型级数,该级数中两体项、四体项为正值,而三体项、五体项为负值. 当R在0.26—0.23 nm之间取值时, 仅保留级数中两体和三体项就能很好地描述晶格原子势能;当R在0.23—0.20 nm之间取值,多体展式需要展开到四体相互作用项;当R在0.20—0.175 nm之间取值必须再加入五体项贡献. 考虑到五体相互作用后,理论计算已能圆满地解释目前固氦等温压缩数据,其最大压力达 60GPa.
关键词:
固氦
状态方程
多体相互作用 相似文献
72.
We theoretically study the generation of high-order harmonics and attosecond pulses from the superposition of an initial state in helium atom driven by a three-color laser field. It is shown that when the initial state is chosen to be a single electronic state, due to the rapid depletion of the ground state, the efficiency of the spectral continuum will be decreased as the initial state increases. When the initial state is chosen to be the coherent superposition of the ground state and an arbitrary excited state, the efficiency of the spectral continuum can be enhanced compared to that from the single initial state. Further, with the optimization of the three-color laser beam, not only can the harmonic cutoff be extended to the water window X-ray region but also the spectral continuum is contributed by the single harmonic emission peak with the dominant short quantum path. Consequently, two combinations of the laser parameters can be found to generate the water window spectral continuum. By properly superposing some harmonics on the spectral continuum, a number of intense water window pulses with the duration of sub-35 as can be produced. 相似文献
73.
利用20 keV的He离子注入表面蒸镀了Au薄膜的尖晶石(MgAl2O4)样品, 随后对注入样品进行了退火处理。 在紫外可见光谱上观察到了由于金属纳米颗粒的存在而引起的较强的表面等离子体共振吸收峰, 提供了材料中金属纳米颗粒形成的光谱证据。 并对形成的Au纳米颗粒的尺寸随退火温度以及He注入剂量的变化进行了研究。 Spinel deposited with a thin Au film was implanted with helium ions, and annealed in vacuum condition subsequently. The surface Plasmon resonance absorbance peak due to the existence of metallic nanoparticles in the dielectric matrix was observed on the Ultraviolet Visible Spectrometry, indicating the formation of metallic nanoparticles in spinel. The dependence of Au particles size with annealing temperature and implantation doses was also investigated. 相似文献
74.
CHEN Zhan-ying CHANG Yin-zhong LIU Shu-jiang ZHANG Hai-tao WANG Shi-lian LI Qi 《高等学校化学研究》2012,28(5):814-817
A pulse-discharge helium ionization detector(Valco, PD-D3-I) was used to measure xenon concentration in air. The dependences of the detector relative response on various gas chromatograph parameters were investigated. Based on the well prepared gas connections for the detector system and optimized gas chromatography(GC) working conditions, the atmospheric xenon concentration could be measured by the cheap GC method with a detection level of 0.7?0-9(parts by volume). Moreover, the xenon concentration in the ground level air around our laboratory was measured with the result of 0.085?0-6(parts by volume) and RSD of 0.91%. 相似文献
75.
76.
A numerical Hartree self-consistent field calculation of an autoionization resonance parameters for a doubly excited 2s~2, 3s~2, and 4s~2 states of He atom with a complex absorbing potential 下载免费PDF全文
The self-consistent Hartree-Fock equation for the He atom is solved using the pseudospectral method. The Feshbachtype autoionization resonance parameters for doubly excited 2s~2, 3s~2, and 4s~2 ~1S states of He have been determined by adding a complex absorbing potential to the Hamiltonian. The Riss–Meyer iterative and Pad′e extrapolation methods are applied to obtain reliable values for the autoionization resonance parameters, which are compared to previous results in the literature. 相似文献
77.
78.
《Molecular physics》2012,110(21-22):2743-2750
The weakly bound complex He–C2D2 is studied in the ν 3 fundamental band of C2D2 (≈2440?cm?1) using a tuneable infrared diode laser to probe a pulsed supersonic slit jet expansion. This is the first published spectrum for helium–acetylene. Transitions observed in the region of the C2D2 R(0) line are assigned with the help of theoretical results based on an ab initio intermolecular potential, and fitted using a simple Coriolis model. The results indicate that the complex is rather close to the free rotor limit, helping to explain the absence of previous data. Scaled parameters from the model are used to predict a spectrum for He–C2H2. 相似文献
79.
聚变堆候选金属材料的惰性气体离子辐照损伤的研究 总被引:1,自引:0,他引:1
综述了有关核聚变反应堆材料的辐照损伤问题的研究,主要包括国产316L奥氏体不锈钢中氦的扩散与氦泡形核生长的研究、316L及低活化FeCrMn合金的高能Ar离子辐照缺陷与空洞肿胀的研究、近期开展的低活化马氏体钢和氧化物颗粒弥散强化合金的高能Ne离子辐照损伤和效应的研究成果。This paper gives a review of our recent studies on the irradiation damage induced by energetic inert-gasions in metallic materials candidate to fusion reactors. The work includes the study of helium diffusion and helium bubble formation in 316L stainless steels, the study of void formation and swelling in the low-activation Fe-Cr-Mn alloy irradiated with high-energy Ar ions, the study of irradiation damage in some low-activation Fe-based steels and ODS alloys by high-energy Ne ions. 相似文献
80.