Rounded data analysis based on multi-layer ranked set sampling

Observations of sampling are often subject to rounding, but are modeled as though they were unrounded. This paper examines the impact of rounding errors on parameter estimation with multi-layer ranked set sampling. It shows that the rounding errors seriously distort the behavior of covariance matrix estimate, and lead to inconsistent estimation. Taking this into account, we present a new approach to implement the estimation for this model, and further establish the strong consistency and asymptotic normality of the proposed estimators. Simulation experiments show that our estimates based on rounded multi-layer ranked set sampling are always more efficient than those based on rounded simple random sampling.     

Analysis on cohesive crack opening displacement considering the strain softening effect

In order to investigate the crack propagation in quasi-brittle materials like rock, ceramic and concrete, Hillerborg and his co-researchers abstracted the fracture process zone in front of a stress free crack in terms of a “fictitious crack zone”. On the fictitious crack zone, cohesive stresses distribute following a given softening relationship of stress vs. crack opening. Based on the polynomial or power series expression of cohesive crack opening displacement, the relationship of the cohesive stress vs. the crack opening displacement is established using elastic theory and integral equation, and some unknown physics variables are obtained using variation approach. The calculation results gained in this paper are close to the experimentally test ones.     

用自适应MG法,FMG法求解Helmholtz方程

本文针对Ｖ循环、Ｗ循环和多重网格法中最优光滑次数及循环体个数难以确定的缺点，以Ｈｅｌｍｈｏｌｔｚ方程为例给出自适应的多重网格算法和自适应的完全多重网格算法。     

Surface core level shift observed on NiAl(1 1 0)

Using high resolution core level spectroscopy, a surface core level shift towards lower binding energy of −0.13 eV is determined for the 2p level of the outwardly relaxed Al surface atoms on NiAl(1 1 0). Density functional theory based calculations with inclusion of final state effects yield a value of −0.14 eV for this shift in excellent agreement with experiment. We show that the initial state approximation yields a value of +0.09 eV, i.e. the inclusion of final state relaxation effects is vital not only to obtain the correct value but even the correct sign for this shift.     

FS and FS(OH) defect centers at the MgO(1 0 0) surface: cluster and periodic calculations

We present a model of a new paramagnetic defect center which results from the interaction of atomic hydrogen with the MgO(1 0 0) surface. DFT calculations have been performed using periodic supercells and embedded cluster models where long-range polarization effects are included explicitly. The H atom promotes the creation of an oxygen vacancy (F center) by formation of the F_S⁺(OH⁻) defect where an hydroxyl group is adsorbed near an electron trapped in an oxygen vacancy. This new center has some characteristics similar to those of the classical F_S⁺ centers but a smaller formation energy; furthermore, being globally neutral, it can be treated also with supercell methods.     

Direct evidence of the dependence of surface state density on the size of SnO2 nanoparticles observed by scanning tunnelling spectroscopy

In this work, we report a scanning tunnelling spectroscopy (STS) study of 30 and 10 nm tin dioxide nanoparticles. The STS spectra give a surface band gap of 2.5 eV for both samples and show that the density of surface states in the band gap is around 6 times higher for the 30 nm particles than for the 10 nm particles. This provides direct experimental evidence for our theoretical model, which predicts a decrease in the surface state density as the particle size decreases, and partly accounts for the improved sensitivity of gas sensing devices fabricated with nanoparticles.     

RENEWAL OF BASIC LAWS AND PRINCIPLES FOR POLAR CONTINUUM THEORIES (Ⅷ)—PRINCIPLE OF TOTAL WORK AND ENERGY

IntroductionRecently ,wehaverestudiedtheconventionalconservationlawofenergy ,whichhaswidelybeenusedandisusinginliteraturesofclassicalcontinuummechanicsathomeandabroad ,andpointedoutthatitistheoreticallyincompleteeveninthetraditionalframework .Thepresentsituationoftheconservationlawsofenergyforpolarcontinuaisthesameasthatforclassicalcontinuummechanics.Inordertochangethestatusquo ,itseemstobequitenecessarythatnewprinciplesoftotalworkandenergyshouldbeproposedtotaketheplaceoftheexistingconservatio…     

Polypropylene/montmorillonite nanocomposites toughened with SEBS‐g‐MA: Structure–property relationship

Polypropylene (PP)/organo‐montmorillonite (Org‐MMT) nanocomposites toughened with maleated styrene‐ethylene‐butylene‐styrene (SEBS‐g‐MA) were prepared via melt compounding. The structure, mechanical properties, and dynamic mechanical properties of PP/SEBS‐g‐MA blends and their nanocomposites were investigated by X‐ray diffraction (XRD), polarizing optical microscopy (POM), tensile, and impact tests. XRD traces showed that Org‐MMT promoted the formation of β‐phase PP. The degree of crystallinity of PP/SEBS‐g‐MA blends and their nanocomposites were determined from the wide angle X‐ray diffraction via profile fitting method. POM experiments revealed that Org‐MMT particles served as nucleating sites, resulting in a decrease of the spherulite size. The essential work of fracture approach was used to evaluate the tensile fracture toughness of the nanocomposites toughened with elastomer. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 43: 3112–3126, 2005     

First-principles study on the electronic structures of iron phthalocyanine monolayer

The electronic band structure and magnetic properties of iron phthalocyanine (FePc) monolayer were investigated by using the first-principles all-electron full-potential linearized augmented plane wave energy band method. It is found that the ferromagnetic FePc monolayer is energetically more stable than the paramagnetic one. The exchange interaction, which splits the majority and minority bands, influences strongly on the electronic structure near the Fermi level (E_F). Magnetic moment of the central Fe atom is calculated to 1.95 μ_B. The range of the positive polarization of Fe site is larger in the out-of-plane than in the in-plane direction. The FePc ligand remains paramagnetic. The presence of states at E_F indicates the metallic character of FePc monolayer both for the paramagnetic and ferromagnetic states. However, the large density of states at E_F of the majority spins in the ferromagnetic state is expected to cause a phase transition to insulating antiferromagnetic state from the metallic ferromagnetic one.