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1.
Despite significant advances in first-principles calculation methods, there is no single exchange-correlation functional which predicts the ground state of materials without an error yet. We investigated how accurately ground states of binary semiconductors are described using 16 exchange-correlation functionals (with or without van der Waals corrections). LDA, PBEsol, SCAN (with or without rVV10 correction), and PBE with D3 van der Waals correction (zero or Becke-Johnson damping) show good predicting power. The lattice constants of stable phases were slightly better described by SCAN, PBEsol, PBE+D3 (Becke-Johnson damping), and MS2. We also propose a set of functionals to double-check the stability of new materials based on the majority vote. 相似文献
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ZHAO Ren ZHANG Li-Chun HU Shuang-Qi 《理论物理通讯》2006,46(10)
We generalize the method that is used to study corrections to Cardy-Verlinde formula due to generalized uncertainty principle and discuss corrections to Cardy-Verlinde formula due to generalized uncertainty principle in (anti)-de Sitter space. Because in de Sitter black hole spacetime the radiation temperature of the black hole horizon is different from the one of the cosmological horizon, this spacetime is a thermodynamical non-equilibrium spacetime. 相似文献
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Yang Dai Faquan Li Xuewu Cheng Zhiling Jiang Shunsheng Gong 《Optics & Laser Technology》2007,39(7):1374-1379
In Shack–Hartmann wavefront sensor (SHWS), the behavior of the irradiance pattern produced by the micro-lens array is important for an accurate centroid estimation. In this paper, the behavior of a micro-lens array in SHWS is analyzed using Fourier optics, and reveals that in addition to the main, expected spots, secondary spots with smaller intensities also appeared as a result of diffraction by the small dimensions of the micro-lens and interference from the different micro-lenses. This result is confirmed by comparing with a irradiance pattern taken from an actual SHWS. The additional error in centroid estimation caused by these secondary spots is discussed and relationship to the parameters of the micro-lens of SHWS is analyzed. 相似文献
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一种改进的计算探测器校正因子的相关抽样方法 总被引:1,自引:0,他引:1
对于小尺寸探测器处于大块介质的情形, 在探测器的校正因子的Monte Carlo模拟中, 存在两个难题: 一是由于探测器尺寸很小粒子难以到达探测器并发生碰撞; 二是两个随机变量比值难以达到要求精度. 本文使用经过改进的粒子碰撞自动重要抽样方法, 再结合相关抽样方法, 解决了这两个难题, 并在MCNP-4C程序平台上加以实现. 除了粒子碰撞自动重要抽样以外, 还选用了其他3种方法: 直接模拟、区域分裂、强迫碰撞+Dxtran球分别与相关抽样方法结合, 对一个简化的探测器校正因子计算模型进行了计算. 实际计算结果表明, 相关抽样方法无论与哪种方法结合, 都起到了提高相关量计算效率的作用; 而它与粒子碰撞自动重要抽样结合, 比其他方法具有明显的优越性. 相似文献
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《Surface and interface analysis : SIA》2004,36(9):1304-1313
For rough heterogeneous samples, the contrast observed in XPS images may result from both changes in elemental or chemical composition and sample topography. Background image acquisition and subtraction are frequently utilized to minimize topographical effects so that images represent concentration variations in the sample. This procedure may significantly increase the data acquisition time. Multivariate statistical methods can assist in resolving topographical and chemical information from multispectral XPS images. Principal component analysis (PCA) is one method for identification of the highest correlation/variation between the images. Topography, which is common to all of the images, will be resolved in the first most significant component. The score of this component contains spatial information about the topography of the surface, whereas the loading is a quantitative representation of the topography contribution to each elemental/chemical image. The simple‐to‐use self‐modelling mixture analysis (Simplisma) method is a pure variable method that searches for the source of most differences in the data and therefore has the potential to distinguish between chemical and topographical phases in images. The mathematical background correction scheme is developed and validated by comparing results to the experimental background correction for samples with differing degrees of topography. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献
10.
激光水下扫描成像系统的图像修正机理 总被引:2,自引:0,他引:2
同步扫描系统可以克服后向散射,但同时也产生了两种非线性,一是扫描线速度的非线性,一是由于距离对光能衰减造成的非线性,两种非线性都需要修正,本文从原理上讨论水下激光成像时能量衰减的修正原理与修正方法,并给出仿真结果。 相似文献