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height conforms to the Gaussian probability density function distribution. Various computational modeling issues that affect the accuracy of the predicted properties were discussed. The results show... distribution function of microscale random rough surfaces WANG Ai-hua(王爱华)1, 2, HSU P. F.2, CAI Jiu-ju(蔡九菊)1 1. School of Materials and Metallurgy, Northeastern University, Shenyang 110819, China; 2......
) and it is weak when ε is decreased to 17.33(n-BuOH), 1.18 (cyclohexane). Key words: X-ray crystallography; hydrogen bonds; nuclear magnetic resonance (NMR); density function theory (DFT); UV-vis absorption... investigated employing experimental and density functional theory (DFT) method at B3LYP/6-31G (d) level. The structure of syn-2,4-di-p-tolylpentane-2,4-diol (2b) was characterized by X-ray diffraction......
J. Cent. South Univ. (2020) 27: 2424-2439 DOI: https://doi.org/10.1007/s11771-020-4459-y A practical constitutive theory based on egg-shaped function in elasto-plastic modeling for soft clay JIANG.... A practical constitutive theory based on egg-shaped function in elasto-plastic modeling for soft clay [J]. Journal of Central South University, 2020, 27(8): 2424-2439. DOI: https://doi.org......
, …, ck, among them: (12) (13) where [z1, zk], D(z) and β(z) denote possible value interval, credibility density function and credibility of A*B respectively. 3 Calculations...J. Cent. South Univ. (2017) 24: 168-177 DOI: 10.1007/s11771-017-3418-8 Rock strength interval analysis using theory of testing blind data and interval estimation TIAN Sen(田森)1, 2, 3, CHEN Jian-hong......
failure criterion as a limiting state function to analyze structural reliability of a composite laminate and estimation theory in order to estimate statistical parameters of effective stress were... extracted covariance and probability density function. CARBILLET et al [10] chose second-moment-FORM (first-order reliability method) method to determine safety factors in the design of composite laminate......
: The electronic properties of sphalerite (110) surface with Zn-vacancy and S-vacancy were calculated by using density-functional theory, and the effects of vacancy defect on the copper activation of sphalerite were... for Zn atoms with S-vacancy surface. Key words: sphalerite; vacancy defect; Density Functional Theory calculations; copper activation  ......
Magnetism and work function of Ni-Cu alloys as metal gatesCHENG Yanming, ZHENG Yongping, HUANG Xu, ZHONG Kehua, CHEN Zhigao, and HUANG Zhigao Department of Physics, Fujian Normal University, Fuzhou 350007, China摘 要:The magnetism and work function of pure Ni(001) and Ni-Cu slab alloys were investigated using first-principles methods based on density......
disturbed degree 5 Conclusions Based on the disturbed state concept (DSC) theory, a general disturbance function for cohesionless backfill was presented. In this function, the at-rest state for backfill...J. Cent. South Univ. Technol. (2011) 18: 1240-1247 DOI: 10.1007/s11771-011-0828-x Calculation of earth pressure based on disturbed state concept theory ZHU Jian-feng(朱剑锋)1, 2, XU Ri-qing(徐日庆)2......
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atoms between –0.5 Ha and 0.25 Ha in PbnAgn (n=2–12) clusters. Key words: density functional theory; PbnAg n (n=2–12) clusters; ab initio molecular dynamics; ground state structure Cite this article... numerical basis with d-polarization function (DND) [29] were adopted. Self-consistent field calculations were finished with the SCF tolerance standard of 10–6 Ha on the total energy. The density......