共查询到20条相似文献,搜索用时 46 毫秒
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采用基于密度泛函理论的第一性原理赝势平面波方法,对闪锌矿结构CdS和CdS:M(M=Ti,Co)几何结构、电荷分布、能带结构和电子态密度等进行了系统研究.几何结构研究对晶格参量进行了优化计算,Co和Ti原子掺入CdS后晶格常数均减小,晶格发生局部畸变.电荷密度计算表明,对于掺Co体系,近邻的S原子电荷分布变化明显,即有更多电子转移到S原子,同时次近邻Cd原子周围的电子分布也受到影响;对于Ti体系,邻近S原子电荷分布变化不明显,次近邻Cd原子周围电荷也没有重新分布.能带结构和态密度分析表明,由于Co3d和Ti3d电子的引入,CdS:Co成为铁磁半导体,而CdS:Ti为简并半导体. 相似文献
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利用含时密度泛函理论研究了酮缺陷对中性和带电六卟啉芳香性的影响,并使用多维可视化技术给出了该体系基态电荷分布和电子跃迁的直观图像. 研究结果表明,芳香性是决定这类体系基态密立根电荷分布的主要因素;酮缺陷效应使得体系基态的密立根电荷分布更多地局域在六卟啉基团上,在这类体系的五氟苯基取代基上密立根电荷布居较少,同时使得体系的芳香性发生改变. 进一步,通过计算体系的跃迁密度和电荷差分密度,可视化了酮缺陷对中性和带电六卟啉芳香性的影响. 结果表明,酮缺陷加强了体系电荷转移的能力. 相似文献
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粉末发动机是以粉末颗粒为燃料的新型发动机,具有多次起动和推力调节的功能.粉末加注是粉末发动机实验组织过程中的重要环节.本研究通过搭建粉末供应系统开展粉末气力加注实验,研究对比了集粉箱加注位置、流化气量对粉末气力加注特性的影响.考虑了供粉过程中储箱内粉末堆积密度的动态变化,并建立了相应的计算方法,同时还采用控制系统理论揭示了储箱内粉末堆积密度的变化规律.结果表明:在相同条件下,较大的流化气量有利于加注过程稳定,但集粉箱加注率较低;气力加注方式下集粉箱内的粉末堆积密度大于储箱内初始堆积密度;采用较小的流化气量与集粉箱壁面切向加注方式有利于提高粉末粒径分布均匀性;集粉箱壁面切向加注方式下,流化气量较小时储箱内粉末的堆积密度是先增大后减小,且堆积密度最终值小于初始值,而流化气量较大时,储箱内粉末的堆积密度是先增大后减小再增大后减小,且堆积密度最终值大于初始值;储箱内粉末堆积密度的动态变化过程类似于欠阻尼二阶系统,流化气量较小时系统阻尼系数较小,而流化气量较大时系统阻尼系数较大,且是一个变阻尼过程. 相似文献
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《工程热物理学报》2017,(7)
本研究在激光全散射法颗粒物浓度检测系统上进行了不同性质、浓度燃煤飞灰颗粒的质量浓度测量实验。结果显示,联合全散射法颗粒物浓度检测系统和反演计算方法能良好的测算标准颗粒的质量浓度,误差约为7%。对于燃煤飞灰颗粒,测算结果能反映气流中颗粒浓度的变化,然而测算值高于真实值约19.3%~27.2%。并且,对除尘器前级电场飞灰的测算偏差大于第四电场飞灰。进一步的理论计算结果表明,随颗粒粒径增大,散射光分布逐步向前向(即0°方向)集中,导致光电探测器在收集透射光的同时收集部分前向散射光,使得反演计算值大于真实值。而前级电场飞灰中含有更多的大粒径、非球形颗粒且粒径分布范围更宽,偏离了反演算法的假定条件,导致对测算偏差增大。 相似文献
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《Journal of magnetic resonance (San Diego, Calif. : 1997)》1999,136(1):102-113
We have investigated the theoretical and experimental linear dependence of the reciprocal of the apparent longitudinal relaxation time [(T*1)−1] of the NMR signal from spins in a flowing fluid on the volume flow rate,Fv, the so-calledinflow effect.We refer to the coefficient of this dependence as the longitudinalflow relaxivity, r1F. A very simple model predicts that, under a range of conditions pertinent to modern flow studies and perfusion imaging experiments,r1Fis controlled by the volume of the fluid in which the magnetization is perturbed by pulsed RF inversion or saturation, not the detection volume, and that it can be approximated as the reciprocal of half of the inversion volume. Phantom sample experiments, using a new, quantitative approach that we callflow relaxography,confirm the general predictions of this simple model. There are two intriguing implications of these findings for general NMR flow studies as well as for medical applications. It should be possible to vary the value ofr1Fby simply (noninvasively) adjusting the inversion slice thickness, and thus measure the value of (blood1H2O, for example)Fvin a vessel without changingFv, from the resultant varyingT*1values. Also, it should be possible to extrapolate to the intrinsicT1value of the fluid signal (as if it were stationary), without altering or stopping the flow. Again, these are quite successful in phantom sample studies. Imaging versions of the flow relaxographic experiments are also possible. The twin goals of flow studies in medical MRI are the quantitative discrimination of the signals from flowing and nonflowing spins, and the accurate measurement of the flow rate of the former. 相似文献
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The physical phenomena in cold and arc heated double-nozzle gas flows have been investigated for SF6 by interference and shadow methods. The cold-flow phenomena are discussed as a basis for a better understanding of the arc-gas flow interactions, their interference pattern is clearly interpreted: the observed fringes, which also can be calculated theoretically, are lines of constant flow velocity. In the case of arc heated flows a sharp distinction is made for the first time between different types of arc-gas flow interactions. At low peak currents the interference pattern still shows a cold gas flow around the arc. At higher current levels a fringe system, which indicates a density reduction, expands into the volume around the nozzles; however, the flow is still directed towards the gap between the nozzles. In contrast to this case the strongest form of interaction is characterized by the appearance of arc heated gas, which flows turbulently back into the high-pressure volume. The radial temperature distribution for a special arc has been calculated theoretically and is discussed in detail. 相似文献
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Following work of Ecker (Comm Anal Geom 15:1025–1061, 2007), we consider a weighted Gibbons-Hawking-York functional on a Riemannian manifold-with-boundary. We compute its variational properties and its time derivative under Perelman’s modified Ricci flow. The answer has a boundary term which involves an extension of Hamilton’s differential Harnack expression for the mean curvature flow in Euclidean space. We also derive the evolution equations for the second fundamental form and the mean curvature, under a mean curvature flow in a Ricci flow background. In the case of a gradient Ricci soliton background, we discuss mean curvature solitons and Huisken monotonicity. 相似文献
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为研究转捩与湍流对激波边界层干扰及底部流动结构的影响,文章选取了二维与三维高超声速双斜面进气道模型与大钝头着陆器模型,并使用γ-Reθ转捩模型开展数值模拟研究.研究表明,对于二维进气道模型,随着前缘钝度的增加,激波边界层干扰位置前移,分离区变大,与层流流动情况相比,有转捩流动发生时,激波边界层干扰位置后移,同时分离流动强度变弱,分离区缩小;对于三维进气道模型,其拐角附近的分离流动呈现明显的三维特征,转捩流动也存在三维流动结构,与静风洞状态相比,噪音风洞状态下,有转捩流动发生,对壁面热流影响较大,对激波系影响很小.对于着陆器模型,底部流动发生转捩,使得底部流动由不稳定非定常的流动结构变为稳定定常的流动结构,这有益于姿态控制设计. 相似文献
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We introduce and explore a Stochastic Flow Cascade (SFC) model: A general statistical model for the unidirectional flow through
a tandem array of heterogeneous filters. Examples include the flow of: (i) liquid through heterogeneous porous layers; (ii)
shocks through tandem shot noise systems; (iii) signals through tandem communication filters. The SFC model combines together
the Langevin equation, convolution filters and moving averages, and Poissonian randomizations. A comprehensive analysis of
the SFC model is carried out, yielding closed-form results. Lévy laws are shown to universally emerge from the SFC model,
and characterize both heavy tailed retention times (Noah effect) and long-ranged correlations (Joseph effect). 相似文献
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J. O. Fossum 《The European physical journal. Special topics》2012,204(1):41-56
Recent experimental and theoretical research into physical phenomena in clays is reviewed. Clays’ present place in the context
of modern materials science is briefly discussed, and illustrated through the rich behavior recently displayed in this physical
model system. We will show that in order to understand macroscopic flow behaviors in these systems, it is crucial to know
the underlying nanostructures in detail. With the clay nanostructural basis at hand, we will review recent advances in clay
systems from the geological example of quick clay flows and avalanches, to materials science and the stability, strength and
flow of smart electrorheological clay structures. In the case of natural quick clay, there is now hope of establishing a protocol
for avalanche preditction based on rheological sample data. In materials science, the use of electric fields together with
flow in order to improve the processing of clay composite materials may open new unexplored avenues. We will finally discuss
that due to the interplay of van der Waals and electrostatic forces screened by ions at the nanoscale, clays may either form
a glass, or a gel and thus give fundamental insights into the elusive questions related to materials universal aging flow
dynamics. 相似文献
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Warner A. Miller Jonathan R. McDonald Paul M. Alsing David X. Gu Shing-Tung Yau 《Communications in Mathematical Physics》2014,329(2):579-608
We construct a discrete form of Hamilton’s Ricci flow (RF) equations for a d-dimensional piecewise flat simplicial geometry, ${{\mathcal S}}$ . These new algebraic equations are derived using the discrete formulation of Einstein’s theory of general relativity known as Regge calculus. A Regge–Ricci flow (RRF) equation can be associated to each edge, ?, of a simplicial lattice. In defining this equation, we find it convenient to utilize both the simplicial lattice ${{\mathcal S}}$ and its circumcentric dual lattice, ${{\mathcal S}^*}$ . In particular, the RRF equation associated to ? is naturally defined on a d-dimensional hybrid block connecting ? with its (d?1)-dimensional circumcentric dual cell, ? *. We show that this equation is expressed as the proportionality between (1) the simplicial Ricci tensor, Rc ? , associated with the edge ${\ell\in{\mathcal S}}$ , and (2) a certain volume weighted average of the fractional rate of change of the edges, ${\lambda\in \ell^*}$ , of the circumcentric dual lattice, ${{\mathcal S}^*}$ , that are in the dual of ?. The inherent orthogonality between elements of ${\mathcal S}$ and their duals in ${{\mathcal S}^*}$ provide a simple geometric representation of Hamilton’s RF equations. In this paper we utilize the well established theories of Regge calculus, or equivalently discrete exterior calculus, to construct these equations. We solve these equations for a few illustrative examples. 相似文献
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