133 resultados para HF calculations

em Chinese Academy of Sciences Institutional Repositories Grid Portal


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The photoabsorption processes of Au2+, Au3+, and Au4+ have been investigated experimentally and theoretically in the 70-127 eV region. Using the dual laser-produced plasma technique, the 4f and 5p photoabsorption spectrum has been recorded at 50 ns time delay and was found to be dominated by a great number of lines from 4f-5d, 6d and 5p-5d, 6s transitions, which have been identified by comparison with the aid of Hartree-Fock with configuration interaction calculations. The characteristic feature of the spectrum is that satellite lines from excited configurations containing one or two 6s electrons are more important than resonance lines, and with increasing ionization, satellite contributions from states with one 6s spectator electron gradually become more important than those with two 6s spectator electrons. Based on the assumption of a normalized Boltzmann distribution among the excited states and a steady-state collisional-radiative model, we succeeded in reproducing a spectrum which is in good agreement with experiment.

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It is assumed that both translational and rotational nonequilibrium cross-relaxations play a role simultaneoulsy in low pressure supersonic cw HF chemical laser amplifier. For two-type models of gas flow medium with laminar and turbulent flow diffusion mixing, the expressions of saturated gain spectrum are derived respectively, and the numerical calculations are performed as well. The numerical results show that turbulent flow diffusion mixing model is in the best agreement with the experimental result.

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We investigate the cohesive energy, heat of formation, elastic constant and electronic band structure of transition metal diborides TMB2 (TM = Hf, Ta, W, Re, Os and Ir, Pt) in the Pmmn space group using the ab initio pseudopotential total energy method. Our calculations indicate that there is a relationship between elastic constant and valence electron concentration (VEC): the bulk modulus and shear modulus achieve their maximum when the VEC is in the range of 6.8-7.2. In addition, trends in the elastic constant are well explained in terms of electronic band structure analysis, e.g., occupation of valence electrons in states near the Fermi level, which determines the cohesive energy and elastic properties. The maximum in bulk modulus and shear modulus is attributed to the nearly complete filling of TM d-B p bonding states without filling the antibonding states. On the basis of the observed relationship, we predict that alloying W and Re in the orthorhombic structure OsB2 might be harder than alloying the Ir element. Indeed, the further calculations confirmed this expectation.

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Measurement while drilling (MWD) has become a popular survey technology to monitor directional data, drilling data, formation evaluation data and safety data in the world. And closed loop drilling shows promise in recent years. Obviously, the method of tr

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On the basis of the pseudopotential plane-wave method and the local-density-functional theory, this paper studies energetics, stress-strain relation, stability, and ideal strength of beta-SiC under various loading modes, where uniform uniaxial extension and tension and biaxial proportional extension are considered along directions [001] and [111]. The lattice constant, elastic constants, and moduli of equilibrium state are calculated and the results agree well with the experimental data. As the four SI-C bonds along directions [111], [(1) over bar 11], [11(1) over bar] and [111] are not the same under the loading along [111], internal relaxation and the corresponding internal displacements must be considered. We find that, at the beginning of loading, the effect of internal displacement through the shuffle and glide plane diminishes the difference among the four Si-C bonds lengths, but will increase the difference at the subsequent loading, which will result in a crack nucleated on the {111} shuffle plane and a subsequently cleavage fracture. Thus the corresponding theoretical strength is 50.8 GPa, which agrees well with the recent experiment value, 53.4 GPa. However, with the loading along [001], internal relaxation is not important for tetragonal symmetry. Elastic constants during the uniaxial tension along [001] are calculated. Based on the stability analysis with stiffness coefficients, we find that the spinodal and Born instabilities are triggered almost at the same strain, which agrees with the previous molecular-dynamics simulation. During biaxial proportional extension, stress and strength vary proportionally with the biaxial loading ratio at the same longitudinal strain.

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The longitudinal structure function (LSF) and the transverse structure function (TSF) in isotropic turbulence are calculated using a vortex model. The vortex model is composed of the Rankine and Burgers vortices which have the exponential distributions in the vortex Reynolds number and vortex radii. This model exhibits a power law in the inertial range and satisfies the minimal condition of isotropy that the second-order exponent of the LSF in the inertial range is equal to that of the TSF. Also observed are differences between longitudinal and transverse structure functions caused by intermittency. These differences are related to their scaling differences which have been previously observed in experiments and numerical simulations.

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<正> 本文研究HF化学激光器中化学反应和碰撞弛豫过程速率系数不确定性对增益系数的影响。指出M=H的(V-T)过程最快,影响最大。

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<正> 利用二维流体力学简化模型求解两股平行流的扩散混合和化学反应问题,得到连续波HF化学激光器谐振腔中气流混合界面,不同振动能级的HF活性分子浓度及小信号增益曲线。

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应用层流边界层二维简化模型计算了扩散型连续波HF化学激光器的小信号增益。研究了气流速度、温度、组份对增益的影响,得到一些有用的结果。计算结果与二维Navier-Stokes方程组的计算结果相符,但计算方法较简单。

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本文研究了HF化学激光器中两股平行气流的速度比和动力学速率系数的不确定性对增益系数的影响。指出HF(V)-H是最快的碰撞弛豫过程,其速率系数值对估算的增益系数有较大影响。

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介绍一个计算连续波HF化学激光器浓度场的简化模型。假设速度场与普通平板边界层速度场相似。温度场与浓度场是用联立能量与组份守恒方程以及相似的速度场求解得到的。求得了混合、化学反应区的界面曲线,并研究了气流速度、温度以及化学反应等对激发态HF浓度的影响。

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<正> 本文根据流体力学守恒方程,探讨采用气体引射技术将化学激光器的低总压、低腔压气流排入大气的问题,并提出一个具体方案。如果能够实现,对于化学激光器或其他类型高能激光器的探索研究将具有实际意义。被引射气流的计算压力为5托,温度为300K,气流速度 M=4,气体组份为40%H_2,60%He。引射气体采用高压的 N_2,H_2及高温的 H_2O。计算结果表明,利用常温 N_2作为引射气体效果不好。利用10大气压的 H_2可以引射光腔尾气。如果被引射气体预先扩压至70托,引射器混合段保持超音速气流,则引射气体的用量和被引射气体用量相同。利用 H_2O 作为引射气体,H_2O 温度最好超过1700K。计算发现,分子量较大的气体不易引射分子量较小的气体。混合段保持超音速气流时引射器出口总压力比混合段为亚音速时为高。扩压器的总压恢复系数对引射器的出口总压影响很大。本文给出一个超音速引射器设计方案,可作为参考.

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<正> 高能化学激光器,除了用庞大的真空系统,泵浦尾气以外,目前正在探索,亚音速-超音速引射器和超音速-超音速引射器泵浦系统(后面简称为超音速引射器)。

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A two-dimensional simplified model of an HF chemical laser is introduced. Using an implicit finite difference scheme, the solution of two adjacent parallel streams with diffusion mixing and chemical reaction is generated. A contour of mixing and reaction boundary is obtained without presupposition. The distribution of the HF(v) concentrations, gas temperature and the optical small signal gain (alpha sub V, J) on the flowing plane (X, Y) are presented. Compared with the solution solved directly from a set of Navier-Stokes equations, the results of these two methods agree with each other qualitatively. The influences of the different velocity, temperature (T sub 0) and composition of the two streams on the small signal gain after the nozzle exit are investigated. It is interesting that for larger J with a fixed v, the peaks of alpha sub v-T sub 0 profiles move towards higher T sub 0. The computing method is simple and only a short computing time is needed.

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在低气压超声速cwHF化学激光放大器中,假设平动和转动非平衡交叉弛豫同时起作用。对于气流介质的层流和湍流扩散混合两类流动模型,分别导出了饱和增益谱的表示式,并进行了数值计算。计算结果表明,湍流扩散混合模型与实验结果符合得更好。