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In Chapter 4,with the consideringof the reflection and transmission,we solved analytically the two-dimension 〓equation for the diffraction of the atomic de Broglie waves by a resonant standing laser fieldand calculated numerically the density distributions,the momentum distributions,and thereflection coefficient.

对于二能级原子在激光驻波栅上的衍射问题,我们严格求解了原子与共振激光驻波场相互作用的〓方程,数值计算了原子空间密度分布,动量分布,以及原子反射率与透射率。

In this thesis, a semi-classical model of the force on an atom is used to describe the motion of a two-level atom interacting with a standing wave laser field. The velocity dependent force and momentum diffusion are derived through optical Bloch equations by using the matrix form of the continued fraction technique. By investigating the dynamic properties of atoms in laser field, we can control and manipulate the mechanical motion of an atom.

本文利用半经典理论,从二能级原子在激光驻波场中所满足的运动方程出发,推导出密度矩阵元所满足的递推关系,利用矩阵连分数方法求解出密度矩阵元,从而求出依赖于原子运动速度的光压力与动量扩散系数,通过讨论原子在激光场中的动力学行为,为原子在激光场中被囚禁、形成原子列阵以及可控制的量子态,从而为量子信息处理提供理论基础。

Chapter 4 describes the synthesis, structural characterization and properties of anovel organic-inorganic hybrid compound, F〓〓BEDT-TTF =bis(ethylenedithiotetrathiafulvalene, which has been synthesized through thereaction of the pre-intercalate Fe〓PS〓〓(phen = 1.10-phenanthroline) with〓 Compared with the pristine FePS〓, the lattice spacing isexpanded by about 4.0〓, indicating that the molecular ring plane of BEDT-TTF isarranged parallel to the layer of the host.

通过红外光谱推测客体BEDT-TTF在层间以中性状态存在。X-线光电子能谱揭示在夹层化合物Fe〓PS〓〓中磷原子和硫原子在硫代亚磷酸根负离子簇中各存在两种化合价态,其中一种价态与纯主体或预夹层化合物〓〓中的磷原子和硫原子价态一致,而另一种价态却比纯主体FePS〓或预夹层化合物Fe〓中的磷原子和硫原子价态高。

It is shown that the atoms from trapped state in Bose-Einstein condensate excited to untrapped states by two-mode radiation frequency maintain properties of coherent states.

结果表明:在光场作用下,V型三能级原子BEC中被激发到非俘获态的原子,仍保持其相干态的特性,从而在理论上证明了利用V型三能级原子BEC与双模压缩相干态光场相互作用可以产生双模原子激光。

The analyses of electronic structures shows that the catalytic reactivities for H2 adsorption of the different surfaces are dependent on the numbers of s orbital bonding electrons around Fermi level for the uppermost layer metal atoms which interact directly with H2. It is easy to form vacancy for hydrogen atoms next to iron atom, which indicates that hydrogen atom cannot be escaped, but it is difficult to from vacancy for hydrogen atoms next to magnesium atom, which indicates that hydrogen atom can be escaped. Hence it is thought that the change of dehydrogenating properties of MgH2 with or without a little iron addition attributes to the weakened bonding between magnesium and hydrogen.

分析电子结构发现:空位缺陷有助H2吸附于Mg表面,与Mg(0001)表面最上层与H2直接产生吸附作用的金属原子在费米能级附近s轨道的成键电子数密切相关;在Fe合金化MgH2体系中,与合金化元素Fe近邻的H原子形成空位的难度增加,H原子较难释放;与Mg近邻的H原子形成空位的难度减少,H原子容易释放;Fe合金化导致Mg-H之间存在较弱的成键作用,因此,MgH2体系的解氢性能得到提高。

At the same time,a tension stress is applied on theγ′phase interfaces along the direction parallel to the stress axis,which results in the lattice expansion ofγ′phase to trap the Al,Ta atoms with the bigger radius.This brings out the accumulation of the solute atoms to form the N-type rafted structure.Al,Ta atoms with bigger radius diffuse to the {100} plane to form the linked bond of the heterogeneous atoms and the stable stacking mode,this is a main reason of promoting the transformation ofγ′phase into the N-type rafted structure.And the change of the strain energy density in different interfaces of the cubical-likeγ′phase is thought to be the driving force of the elements diffusion and theγ′phase directional growth during creep.

拉伸蠕变期间,类立方γ\'相中与施加应力轴垂直的界面受水平切应力,使晶格收缩可排斥较大半径的Al、Ta原子;与应力轴平行的界面受拉伸张应力,使晶格扩张可诱捕较大半径的Al、Ta原子,由此引起的原子偏聚形成γ\'相是自由能降低的过程;其中,较大半径的Al、Ta原子扩散迁移至{100}晶面,形成异类原子结合键及稳定的堆垛方式,是促使γ\'相形成N-型筏状结构的主要原因;而γ\'相不同界面的应变能密度变化是元素扩散及γ\'相定向粗化的驱动力。

The result shows that two atoms entanglement evolution property is opposed to atom-field entanglement evolution property when the coherent amplitude factor was zero or small. The interaction of the atoms and the field weaken the entanglement degree of atom-atom.

结果表明:当相干态振幅参量为零或很小时,两原子间纠缠度随时间演化规律和场-原子纠缠度随时间演化规律几乎相反,场-原子间的纠缠削弱了两原子间的纠缠。

A united atom topology building block is generated from the all atom topology building block by (1) collapsing the charges on the non-polar hydrogen atoms onto the heavy atoms to which they are attached,(2) introducing improper dihedrals to maintain chirality,(3) regenerating exclusion lists and (4) reassigning atoms types as required.

联合原子拓扑 building block 产生通过全原子拓扑 building block 。(1)压平非极性氢原子上的电荷到重原子上(2)介绍不合适的二面角到主要手性(3)重新产生排除目录(4)再分配原子类型

Moreover,the pretreatment of various kinds of materials,spectrum interference factors and eliminating methods were discussed.

文章对原子吸收光谱仪在电池工业材料分析与测试中的实际应用进行了综述。1原子吸收光谱仪的基本原理、分析方法、材料溶解与测定条件1.1基本原理文章以日本岛津公司A A-670型原子吸收光谱仪和美国热电公司5M型原子吸收光谱仪为分析用仪器。

Final R and wR are 0.0496 and 0\^1248 respectively for 1952 I≥2σ(I observed reflections. The crystal molecule consists of 〔WOS 3Ag 3Br(PPh 3) 3〕 and OPPh ...

该晶体由簇合物分子〔WOS3Ag3Br(PPh3) 3〕和以P为中心的扭曲四面体结构的中性分子OPPh3 构成,其中的簇合物分子的骨架为由1个W原子、3个S原子、3个Ag原子和 1个Br原子构成的立方烷状。W、O(1)和Br原子位于C3轴上。

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