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原子密度

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The density of states near Fermi level mainly consists of p orbitals of each atom.

体系费米能级附近的电子态密度主要来源于各原子p态电子贡献。

Minutes later, it took 700 thousand years forming atoms by adhering electrons onto nucleons.

大爆炸初的1/10秒,宇宙密度比水大3000万倍,温度是300亿度。14秒后,温度是30亿度,第一个氘原子核形成了。34分钟后,用了70万年时间,电子能附在原子核上形成了原子。

The three pure component parameters for alkanes were determined by fitting the saturated vapor pressure and liquid density data, near linear relations were observed between the parameter values and the carbon number.

由拟合正构烷烃的饱和蒸汽压和液相密度所确定的三个纯组分参数与烃的碳原子数呈良好的线性关系。

In NWFM,to solve self-consistently the set of DFT Kohn-Sham equations,nuclear weight function is employed for numerical solution of multicenter integra-tion,which decomposes the problem of three dimensional integration to a sum ofone-center,atomic-like integrations.

首先介绍如何利用线性组合的原子轨道方法求解密度泛函理论中的K-S方程;接着详细地说明了核权重函数的概念,并列出了两种常用的核权重函数形式,同时阐述了如何利用核权重函数求解包含多中心积分的矩阵元以及复杂的三维泊松方程以获得电子间库仑势的方法;然后给出了求解矩阵元、有效势以及体系总能的具体数值计算公式。

It is included the energy spectrum and angular distribution of hot electrons generated by ultrashort laser-solid interaction, the effect to electron behavior of electrical conductivity of target material, the hot electron activities and plasma characteristics in various plasma scale length, the rule of electron movement related to the high harmonic generation in gas, the excelled calculation about the condition of high harmonic generation, the study of electron spectrum and ion spectrum generated by Coulomb explosion in laser cluster interaction.

其中包括超短脉冲激光与固体靶作用中超热电子的能谱和角度分布,靶材料的电导率对电子行为的影响以及在不同的密度标长条件下超热电子和与电子相关的等离子体特征;超短脉冲激光与气体靶相互作用中与高次谐波相关的电子的具体运动规律和产生短波长高次谐波的优化条件;超短脉冲激光与团簇原子相互作用中通过对电子的隧道电离而引起的库仑爆炸等。

By using the first-principles method based on the density functional theory, the magnetism of Al monoatomic chains have been studied.

使用密度泛函理论下的第一性原理方法,研究了纳米尺度下简单金属Al原子链的磁性。

In this article, optical and electronic properties of ZnO doped by Al are studied based on DPT theory. Correlation energy of electron exchange is combined with GGA in the form of PW91. The elements doped by replacement and inside of ZnO are calculated. The lattice and electronic structure properties of these models are calculated and compared with the experiments and previous theoretical works.

采用基于密度泛函理论的总体能量平面波超软赝势法,电子交换关联能结合广义梯度近似PW9l形式,对Al原子不同掺杂位置的ZnO超原胞进行了几何优化,计算分析了晶体结构参数及掺杂模型的电子结构。

Liquid propellants ; density specific impulse ; monopropellant ; bipropellant ; atomic propellant

液体推进剂;密度比冲;单组元推进剂;双组元推进剂;原子推进剂

So the study of the interaction of SCHI with solid surfaces has attracted a lot of attention of many famous laboratories in the world. In previous studies on the interaction of slow highly charged ions with solid surfaces, a lot of attention has been paid to Auger electron emission and autoionization.

在低速高电荷态离子与固体表面相互作用过程中,大量的导带电子会转移到入射离子的外壳层空位上形成多电子激发的&空心原子&,并在飞秒时间和纳米尺度范围内在固体表层沉积几十至几百keV的能量,能流功率密度可达10〓W/cm〓,致使表面形成纳米量级的蚀坑。

For the chemical shifts of the carbons that lay in the conjugated sketeton we obtained a good linear relationship between the calculated and experimental data as well as their antimagnetic contribution σ_d and electronic density ρ.

对于固定在π骨架上的碳原子,其化学位移计算值与实验结果有很好的线性关系,并且它们的反磁性贡献σ_d和电荷密度ρ之间也有较好的线性关系。

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从有历史以来,英国,在此地早期居住的是凯尔特人,已经被征服了三次。

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