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141.
用第一性原理研究放射性同位素铀在针铁矿(α-FeOOH)中的占位情况, 分别考虑铀原子替代针铁矿中的铁的替位缺陷和铀的多种八面体和多种四面体间隙缺陷. 计算发现了三个最稳定的缺陷构型, 它们分别对应于一个铀替位缺陷(S) 及其中的一个铀的八面体(O)和四面体(T)间隙缺陷, 其形成能分别为-13.49, -3.86, -1.60 eV. 也研究了两个相邻的铀原子在针铁矿中的占位情况, 发现双铀原子很容易掺入到相邻的SS或OS位, 它们的形成能分别为-27.392和-16.214 eV, 结合能分别为-0.417和1.131 eV. 表明双原子铀在针铁矿中会以SS形式发生偏聚而较难以OS形式偏聚.
关键词:
铀
针铁矿
占位
第一性原理 相似文献
142.
Acoustic emission sensor is used to research the time-of-flight of the shock wave induced by laser-plasma in air for real time nondestructive evaluation (NDE) of laser shock processing. The time-of-flight of the shock wave propagating from the source to the sensor declines nonlinearly and similarly at the different distances for different laser energies. The velocity of the shock wave at the distance of 30 mm increases faster than that of the distance of 35 mm. The relationship between the laser energy and the distance is almost linearly when the signal with distortion is measured by acoustic emission sensor. Finally, Taylor solution is used to analyze the experimental results, and the empirical formula between the energy of the shock wave and the laser energy is established, which will provide a theoretical basis for real time NDE of laser shock processing. 相似文献
143.
We investigate the structural and elastic properties of hexagonal Ce2O3 under pressure using LDA+U scheme in the frame of density functional theory (DFT). The obtained lattice constants and bulk modulus agree well with the available experimental and other theoretical data. The pressure dependences of normalized lattice parameters a/a 0 and c/c 0, ratio c/a, and normalized primitive volume V/V 0 of Ce2O3 are obtained. Moreover, the pressure dependences of elastic properties and three anisotropies of elastic waves of Ce2O3 are investigated for the first time. We find that the negative value of C 44 is indicative of the structural instability of the hexagonal structure Ce2O3 at zero temperature and 30 GPa. Finally, the density of states (DOS) of Ce2O3 under pressure is investigated. 相似文献
144.
Jun Zhang Hua Nan Yuan-Hong Tao Shao-Ming Fei 《International Journal of Theoretical Physics》2016,55(2):886-891
The mutually unbiasedness between a maximally entangled basis (MEB) and an unextendible maximally entangled system (UMES) in the bipartite system \(\mathbb {C}^{2}\otimes \mathbb {C}^{2^{k}} (k>1)\) are introduced and discussed first in this paper. Then two mutually unbiased pairs of a maximally entangled basis and an unextendible maximally entangled system are constructed; lastly, explicit constructions are obtained for mutually unbiased MEB and UMES in \(\mathbb {C}^{2}\otimes \mathbb {C}^{4}\) and \(\mathbb {C}^{2}\otimes \mathbb {C}^{8}\), respectively. 相似文献
145.
It has been shown that for two different multipartite unitary operations U_1 and U_2, when tr(U_1~?U_2) = 0, they can always be perfectly distinguished by local operations and classical communication in the single-run scenario. However, how to find the detailed scheme to complete the local discrimination is still a fascinating problem. In this paper, aiming at some U_1 and U_2 acting on the bipartite and tripartite space respectively, especially for U_1~?U_2 locally unitary equivalent to the high dimensional X-type hermitian unitary matrix V with trV = 0, we put forward the explicit local distinguishing schemes in the single-run scenario. 相似文献
146.
反向响应过程广泛存在于化工领域中,但针对反向响应过程的性能评估研究较少。针对一类二阶时滞反向响应过程,通过幂级数展开的方法简化了对象模型,然后研究其抗负载干扰PID控制回路性能评估问题。根据DS-d控制原理获取期望闭环传递函数以及PID控制器参数,推导干扰模型为阶跃情况下的PID控制回路累积绝对误差(IAE)性能基准值,并将其推广到斜坡输入以及一般输入情形,为不同干扰类型情况下的反向响应过程建立通用化的IAE性能评价标准。仿真结果验证了所提性能评估算法的正确性以及通用性。 相似文献
147.
Aluminum borate whiskers (ABOw) with or without ZnAl2O4 coating reinforced pure aluminum composites (ABOw/Al, ABOw/ZnAl2O4/Al) were fabricated by squeeze casting. The effects of ZnAl2O4 coating on the compressive behaviors, microstructures, and matrix textures of the composites were investigated at different temperatures and strain rates. The results indicate that the maximum compressive flow stress of the composites almost linearly decreases with the increase in temperature. The maximum compressive flow stress of ABOw/ZnAl2O4/Al composite is higher than that of ABOw/Al composite at the same temperature when the strain rate is larger, however, it is reversed when the strain rate is smaller. It is more serious for the fracture of whiskers in ABOw/ZnAl2O4/Al composite than that in ABOw/Al composite at the high compressive strain rate. However, the average length of whiskers in ABOw/ZnAl2O4/Al composite is larger than that in ABOw/Al composite at the low compressive strain rate. The strong matrix texture in ABOw/ZnAl2O4/Al composite appears at the high compressive strain rate, however, it is observed in ABOw/Al composite at the low compressive strain rate. 相似文献
148.
Acta Mathematica Sinica, English Series - For a finite group G, the power graph $$\cal{P}(G)$$ is a simple connected graph whose vertex set is the set of elements of G and two distinct vertices x... 相似文献
149.
35MeV/u 40 Ar+197 Au反应中热核的碎裂密度 总被引:1,自引:0,他引:1
许多提取核反应过程中熵产生的方法只适用于高能核反应过程 ,而约化d的产额方法可以用于较低能量的重离子核反应中 .对于 3 5MeV/u40 Ar+ 197Au的核反应过程 ,利用这种方法所得的熵和约化带电粒子多重性提取的熵结果一致 .对于后角热核发射体系 ,实验提取的核温度为 ( 4.7± 1 .2 )MeV ,熵为S/A =2 .5± 0 .5,根据实验提取的熵和核温度可以确定其碎裂密度小于 0 .1 ρ0 相似文献