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通过对分子动力学模拟公式和同位素相互作用势特点的分析,提出用一个统一的状态方程描述同位素气体的P-V-T特性.进而选用Benedict-Webb-Rubin方程作为统一的状态方程,利用H2气体的135组实验值确定其八个参数.这个方程的计算结果与H2和D2气体的实验值符合良好.T2气体目前尚未见到成套的P-V-T实验数据报道,不能直接与实验结果对比,但与T2气体的分子动力学模拟计算结果一致. 相似文献
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分别用PW91,B3LYP两种密度泛函方法和全电子高斯基组对β-Si3N4的几何结构进行全优化(包括晶格参数和原子坐标),结果和实验值符合良好. 同时计算了能带结构和态密度. 在此基础上分别用上述两种方法计算了Γ点拉曼振动频率,并按对称性进行分类,将得到的11种拉曼活性模式的频率值与实验值以及其他文献值进行了比较,进一步确定了Ag模式为中等频率,值约459cm-1. 计算结果表明,B3LYP总体计算结果优于PW91. 对于中低频段的拉曼频率,两者与实验值相差最大为2和17cm-1. 对于高频段,两者与实验值相差最大为16和35cm-1. 同时计算了β-Si3N4的Γ点红外振动频率,通过对比实验结果,将其红外光谱进行了归属. 相似文献
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"RLC串联电路暂态过程的研究"实验中电容系统误差的测量与修正 总被引:1,自引:0,他引:1
在"RLC串联电路暂态过程的研究"实验中,由于示波器两测量探头间电容和电容箱"零电容"的存在,导致阻尼振荡周期的理论计算值与实验值之间可能产生非常大的误差.本文通过测量上述两类电容,对周期的理论计算值进行了修正,使之与实验值的相对误差明显减小. 相似文献
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采用热力学方法和Benedict-Webb-Rubin(BWR)方程及相应的参数,计 算了临界温度附近H2气体的绝对焓和熵值,同时拟合了一组高准确度的定压比热容与温度 关联式参数.通过计算值与实验值的比较发现:在临界温度以上,计算值与实验值符合良好 ,对低于临界温度的未饱和H2气体也能计算出较好了结果.但对临界点和温度低于临界温 度、压强高于临界压强的过饱和H2气体的计算误差比较大,说明此时的H2气体的热力学性质特别,应当专门处理. 相似文献
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超流最关键的物理量就是临界速度,美国MIT(麻省理工学院)实验组用激光来回扫描凝聚体的方法测出BEC超流体的临界速度,但是与Bogolyubov的理论得出来的值相比小得多,P.O.Fedichev考虑凝聚体处在外势中和各相异性的特点,理论计算的结果与MIT(麻省理工学院)实验组测量的实验值接近,但还是有一定的差距。考虑到非凝聚粒子的影响,发现MIT组测得的实验值并不是临界速度,而是准粒子的速度,实际临界速度比测得的速度要大。估算了准粒子的有效质量,并用碰撞模型对MIT组测得的实验值进行了修正。Jun Suzuki考虑了非凝聚态粒子的影响,计算出的临界速度的理论值与修正后的MIT组的实验结果相符。 相似文献
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提出了一种基于Pancharatnam-Berry相位和动力学相位操控纵向光子自旋霍尔效应的方法.理论分析表明:当光场通过一个由Pancharatnam-Berry相位透镜和动力学相位透镜构成的透镜组时,透镜组会存在两个自旋相关的焦点.首先,当左旋和右旋圆偏振光通过微结构相位延迟为π的Pancharatnam-Berry相位透镜时,由于Pancharatnam-Berry相位的自旋相关性,两个圆偏振分量会获得符号相反的Pancharatnam-Berry相位而导致其中一个被聚焦而另一个发散.然后,在Pancharatnam-Berry相位透镜后再插入普通透镜引入动力学相位调制,由于动力学相位是自旋无关,使得这一透镜组,可以在合适的条件下使不同自旋态的光子分别聚焦于纵向上不同焦点处.纵向自旋分裂由两透镜焦距及间距共同决定,因此可以通过改变两个透镜的焦距及其间距获得任意的纵向自旋分裂值.最后,搭建了一套实验装置,所得实验结果与理论结果一致. 相似文献
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We present the theoretical and experimental results of water surface wave in a trough with periodical topographic bottom under parametric excitation. There are 19 steps of the same size periodically inserted into the trough. It is found that waveforms observed in the experiment are consistent with theoretical ones. Moreover, some complex and interesting phenomena arise in the experiment due to nonlinearity.[第一段] 相似文献
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The KLn dielectronic recombination processes of trapped highly charged B-like through He-like Cu ions are studied theoretically, and the theoretical results are used to analyse our previous experimental data at Heidelberg electron beam ion trap (EBIT). The theoretical resonant positions agree with the experimental resonant positions to a precision of 0.4%, in comparison with the resonant positions of those highest peaks between theory and experiment. The experimental spectra are then fitted using a formula with the theoretical resonant energies and strengths, the result shows good overall agreement between theory and experiment over a wide electron energy range. The distribution of highly charged states is obtained from the fitting parameters. 相似文献
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An experiment is performed to measure acoustic scattering from scale modelled ice ridges in both specular (forward) and non-specular (backward) directions, for comparison with predictions from theoretical models. The experiment uses a 100 kHz transmitter emitting sinusoidal bursts. An array of miniature transducers is used to measure the scattered field as a function of scattering angle. Experimental results are obtained for scattering from different types of rods simulating ice ridges, and also the reflection coefficient from an acrylic block. The results show good agreement with the Twersky model predictions. This experiment establishes an effective technique, using scale models in the laboratory, to compare theoretical predictions and field experimental data. 相似文献
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光电效应实验及理论解释,为量子理论的建立奠定了基础,在光电效应伏安特性实验中,如何有效减少实验影响因素,提高测量结果的精确度,成为光电效应伏安特性实验改进的一个关键点。本从光电效应实验测量的伏安曲线出发,分析理论与实验结果上的差异,提出了影响实验结果的因素以及相应的实验操作办法,为光电效应伏安特性实验的改进,获得更加精确的实验数据以及光电效应实验的应用奠定了基础。 相似文献
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Lloyd Seamans Albert Moscowitz Robert E. Linder Edward Bunnenberg Günter Barth Carl Djerassi 《Journal of Molecular Spectroscopy》1975,56(3):441-448
A recently developed theoretical treatment of the magneto-optical activity of singlet-triplet transitions in molecules which are near-symmetric rotors is employed in simulation of the MCD spectra associated with some singlet-triplet transitions in formaldehyde. The theoretical results are compared with the relevant experimental data, and the agreement between theory and experiment is found to be satisfactory. 相似文献
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本文描述HL-1装置屏蔽板对欧姆变压器杂散场屏蔽效应的实验研究和理论计算,模拟实验结果与HL-1装置的理论计算值符合较好。 相似文献
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Verel R Ernst M Meier BH 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2001,150(1):81-99
A theoretical treatment of the DREAM adiabatic homonuclear recoupling experiment is given using Floquet theory. An effective Hamiltonian is derived analytically and the time evolution of the density operator in the adiabatic limit is described. Shape cycles are proposed and characterized experimentally. Application to spin-pair filtering and as a mixing period in a 2D correlation experiment is explored and the experimental results are compared to theoretical predictions and exact numerical simulations. 相似文献
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Critical impact velocity (CIV) of oxygen-free high-conductivity (OFHC) copper is experimentally measured with a novel facility in a gas gun system. The results are compared with the theoretical predictions using the typical constitutive relations, and the measured CIV value is much lower than the predictions. The difference of physical mechanisms in experiment and in theoretical calculation is discussed. It is suggested that the reduction of CIV in experiment would be related with the damage evolution in tensile copper that needs to be considered in the computation model. 相似文献
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DAI Jue 《声学学报:英文版》2014,(2):168-177
Methods for theoretically calculating area mobility of a finite thin plate are derived for a typical excitation pattern,uniform velocity excitation,over a contact area.In the derivation,the contact area is discretised into sub-regions and the excitation and response continuously distributed over these sub-regions are simplified as acting at the centers of the sub-regions.Therefore,according to the concept of effective point mobility,the theoretical formula for area mobility of a finite thin plate subject to a uniform velocity excitation is obtained.According to the relation between complex power and area mobility,the measurement method of a finite plate is also obtained by means of transfer point mobility.When comparing results generated by theoretical calculation to patterns measured in experiment,consistent patterns are found,suggesting that the proposed methods are practical.The results of calculation show that the accuracy of theoretical calculation increases with the number of sub-regions and is influenced by the moment caused by the experiment device,especially when the excitation frequency is high. 相似文献