Non-monotonic temperature evolution of nonlocal structure–dynamics correlation in CuZr glass-forming liquids

The structure–dynamics correlations in a nonlocal manner were investigated in CuZr metallic glass-forming liquids via classical molecular dynamics simulations.A spatial coarse-graining approach was employed to incorporate the nonlocal structural information of given structural order parameters in the structure–dynamics relationship.It is found that the correlation between structure order parameters and dynamics increases with increasing coarse-graining length and has a characteristic length scale.Moreover,the characteristic correlation length exhibits a non-monotonic temperature evolution as temperature approaches glass transition temperature,which is not sensitive to the considered structure order parameters.Our results unveil a striking change in the structure–dynamics correlation,which involves no fitting theoretical interpretation.These findings provide new insight into the structure–dynamics correlation in glass transition.

Correlation between Structures of Bulk Amorphous Zr-Ti-Ni-Cu-Be Alloy in Different States

The structures of the bulk amorphous Zr41Ti14Cu12.5Nil0.0Be22.5 alloy have been analyzed in solid, supercooled liquid and liquid with X-ray diffraction. The first coordination sphere radii and the first coordination numbers are 0.312 um, 11.2 in solid state.10.932 nm, 10.932 in supercooled liquid region and 0.305 urn, 11.296 in liquid state. The structures are the same in different states. But it shows some tendency to crystallizing that the first coordination sphere radius and the first coordination number drop in supercooled liquid region.

A Test on High-Dimensional Intraclass Correlation Structure

The paper considers a high-dimensional likelihood ratio(LR)test on the intraclass correlation structure of the multivariate normal population.When the dimension p and sample size N satisfy N−1>p→∞,it is proved that the logarithmic LR statistic asymptotically obeys Gaussian distribution,and the explicit expressions of the mean and the variance are also obtained.The simulations demonstrate that our high-dimensional LR test method outperforms the traditional Chi-square approximation method or F-approximation method,and performs as efficient as the accurate high-dimensional Edgeworth expansion method and the more accurate high-dimensional Edgeworth expansion method in analyzing the intraclass covariance structure of highdimensional data.

Quantum Correlations in Ising-XYZ Diamond Chain Structure under an External Magnetic Field

We consider an entangled Ising-XY Z diamond chain structure. Quantum correlations for this model are inves- tigated by using quantum discord and trace distance discord. Quantum correlations are obtained for different values of the anisotropy parameter, magnetic field and temperature. By comparison between quantum correlations, we show that the trace distance discord is always larger than quantum discord. Finally, some novel effects such as increasing the quantum correlations with temperature and constructive role of anisotropy parameter, which may play to the quantum correlations, are observed.

Modelling the Survival of Western Honey Bee Apis mellifera and the African Stingless Bee Meliponula ferruginea Using Semiparametric Marginal Proportional Hazards Mixture Cure Model

Classical survival analysis assumes all subjects will experience the event of interest, but in some cases, a portion of the population may never encounter the event. These survival methods further assume independent survival times, which is not valid for honey bees, which live in nests. The study introduces a semi-parametric marginal proportional hazards mixture cure (PHMC) model with exchangeable correlation structure, using generalized estimating equations for survival data analysis. The model was tested on clustered right-censored bees survival data with a cured fraction, where two bee species were subjected to different entomopathogens to test the effect of the entomopathogens on the survival of the bee species. The Expectation-Solution algorithm is used to estimate the parameters. The study notes a weak positive association between cure statuses (ρ1=0.0007) and survival times for uncured bees (ρ2=0.0890), emphasizing their importance. The odds of being uncured for A. mellifera is higher than the odds for species M. ferruginea. The bee species, A. mellifera are more susceptible to entomopathogens icipe 7, icipe 20, and icipe 69. The Cox-Snell residuals show that the proposed semiparametric PH model generally fits the data well as compared to model that assume independent correlation structure. Thus, the semi parametric marginal proportional hazards mixture cure is parsimonious model for correlated bees survival data.

Deformation tests and failure process analysis of an anchorage structure

In order to study the failure process of an anchorage structure and the evolution law of the body＇s defor- mation field, anchor push-out tests were carried out based on digital speckle correlation methods （DSCM）. The stress distribution of the anchorage interface was investigated using the particle flow numerical simulation method. The results indicate that there are three stages in the deformation and fail- ure process of an anchorage structure： elastic bonding stage, a de-bonding stage and a failure stage. The stress distribution in the interface controls the stability of the structure. In the elastic bonding stage, the shear stress peak point of the interface is close to the loading end, and the displacement field gradually develops into a ＂V＂ shape, in the de-bonding stage, there is a shear stress plateau in the center of the anchorage section, and shear strain localization begins to form in the deformation field. In the failure stage, the bonding of the interface fails rapidly and the shear stress peak point moves to the anchorage free end. The anchorage structure moves integrally along the macro-cracl~ The de-bonding stage is a research focus in the deformation and failure process of an anchorage structure, and plays an important guiding role in roadway support design and prediction of the stability of the surrounding rock.

Reliability Sensitivity-based Correlation Coefficient Calculation in Structural Reliability Analysis

The correlation coefficients of random variables of mechanical structures are generally chosen with experience or even ignored,which cannot actually reflect the effects of parameter uncertainties on reliability.To discuss the selection problem of the correlation coefficients from the reliability-based sensitivity point of view,the theory principle of the problem is established based on the results of the reliability sensitivity,and the criterion of correlation among random variables is shown.The values of the correlation coefficients are obtained according to the proposed principle and the reliability sensitivity problem is discussed.Numerical studies have shown the following results：（1） If the sensitivity value of correlation coefficient ρ is less than（at what magnitude 0.000 01）,then the correlation could be ignored,which could simplify the procedure without introducing additional error.（2） However,as the difference between ρs,that is the most sensitive to the reliability,and ρR,that is with the smallest reliability,is less than 0.001,ρs is suggested to model the dependency of random variables.This could ensure the robust quality of system without the loss of safety requirement.（3） In the case of ｜Eabs｜ρ0.001 and also ｜Erel｜ρ0.001,ρR should be employed to quantify the correlation among random variables in order to ensure the accuracy of reliability analysis.Application of the proposed approach could provide a practical routine for mechanical design and manufactory to study the reliability and reliability-based sensitivity of basic design variables in mechanical reliability analysis and design.

Multi-scale Kalman filters algorithm for GPS common-view observation data based on correlation structure of discrete wavelet coefficients

Global positioning system(GPS)common-view observation data were processed by using the multi-scale Kalman algorithm based on a correlative structure of the discrete wavelet coefficients.Suppose that the GPS commonview observation data has the 1/f fractal characteristic,the algorithm of wavelet transform was used to estimate the Hurst parameter H of GPS clock difference data.When 0<H<1,the 1/f fractal characteristic of the GPS clock difference data is a Gaussian zero-mean and non-stationary stochastic process.Thus,the discrete wavelet coefficients can be discussed in the process of estimating multi-scale Kalman coefficients.Furthermore,the discrete clock difference can be estimated.The single-channel and multi-channel common-view observation data were processed respectively.Comparisons were made between the results obtained and the Circular T data.Simulation results show that the algorithm discussed in this paper is both feasible and effective.

Energy consumption hierarchical analysis based on interpretative structural model for ethylene production

Interpretative structural model(ISM) can transform a multivariate problem into several sub-variable problems to analyze a complex industrial structure in a more efficient way by building a multi-level hierarchical structure model. To build an ISM of a production system, the partial correlation coefficient method is proposed to obtain the adjacency matrix, which can be transformed to ISM. According to estimation of correlation coefficient, the result can give actual variable correlations and eliminate effects of intermediate variables. Furthermore, this paper proposes an effective approach using ISM to analyze the main factors and basic mechanisms that affect the energy consumption in an ethylene production system. The case study shows that the proposed energy consumption analysis method is valid and efficient in improvement of energy efficiency in ethylene production.

The correlation between molecular structure parameters of O-ethyl N-isopropyl phosphoro(thioureido)thioates and their retention data in RP-HPLC

A retention prediction system(RPS)of seven O-ethyl N-isopropyl phosphoro(thioureido)- thioates in reversed phase HPLC was investigated.The system is based on the solvent selectivity triangle concept.Three molecular structure parameters(hydrophobicity Ⅱ,substituent length L, and substituent maximum width B_5)were used to describe the quantitative structure-retention relation- ships.With these quantitative relationships,the retention behaviours of other eight homologs for different mobile phase composition were predicted.The predicted values were consistent with the measured values within relative error of 10%,which means that it is possible to apply the reported method to predict retention values for qualitative purposes for different mobile phase compositions.

Bridging the structure gap between pellets in artificial dissolution media and in gastro-intestinal tract in rats

Changes in structure of oral solid dosage forms(OSDF) elementally determine the drug release and its therapeutic effects.In this research,synchrotron radiation X-ray micro-computed tomography was utilized to visualize the 3 D structure of enteric coated pellets recovered from the gastrointestinal tract of rats.The structures of pellets in solid state and in vitro compendium media were measured.Pellets in vivo underwent morphological and structural changes which differed significantly from those in vitro compendium media.Thus,optimizations of the dissolution media were performed to mimic the appropriate in vivo conditions by introducing pepsin and glass microspheres in media.The sphericity,pellet volume,pore volume and porosity of the in vivo esomeprazole magnesium pellets in stomach for2 h were recorded 0.47,1.55 × 10^(8)μm^(3),0.44 × 10^(8)μm^(3)and 27.6%,respectively.After adding pepsin and glass microspheres,the above parameters in vitro reached to 0.44,1.64 × 10^(8)μm^(3)0.38 × 10^(8)μm^(3)and 23.0%,respectively.Omeprazole magnesium pellets behaved similarly.The structural features of pellets between in vitro media and in vivo condition were bridged successfully in terms of 3 D structures to ensure better design,characterization and quality control of advanced OSDF.

Metal–ligand interfaces for well-defined gold nanoclusters

Ligand engineering for well-defined gold nanoclusters(Au NCs) is getting more extensive attention. Organizing the Au-ligand interfaces on gold NCs can achieve the structural and functional control. This review focuses on the Au-ligand interfaces including gold-phosphorus(Au-P), gold-sulfur(Au-S), gold-selenium(Au-Se), gold-carbon(Au-C), and gold-nitrogen(Au-N), derived from the bonding between Au atoms and the different ligands(e.g., organic phosphine, thiolate, selenolate, alkynyl,n-heterocyclic carbene and nitrogenous ligands). The formation mechanism of Au-ligand interfaces is well discussed. In addition, the effects of Au-ligand interfaces on the stability, optical property, and catalysis are also presented. We hope the advances in this research area can boost the development of Au NC sciences.

New scaling for compressible wall turbulence

Classical Mach-number(M) scaling in compressible wall turbulence was suggested by van Driest(Van Driest E R.Turbulent boundary layers in compressible fluids.J Aerodynamics Science,1951,18(3):145-160) and Huang et al.(Huang P G,Coleman G N,Bradshaw P.Compressible turbulent channel flows:DNS results and modeling.J Fluid Mech,1995,305:185-218).Using a concept of velocity-vorticity correlation structure(VVCS),defined by high correlation regions in a field of two-point cross-correlation coefficient between a velocity and a vorticity component,we have discovered a limiting VVCS as the closest streamwise vortex structure to the wall,which provides a concrete Morkovin scaling summarizing all compressibility effects.Specifically,when the height and mean velocity of the limiting VVCS are used as the units for the length scale and the velocity,all geometrical measures in the spanwise and normal directions,as well as the mean velocity and fluctuation(r.m.s) profiles become M-independent.The results are validated by direct numerical simulations(DNS) of compressible channel flows with M up to 3.Furthermore,a quantitative model is found for the M-scaling in terms of the wall density,which is also validated by the DNS data.These findings yield a geometrical interpretation of the semi-local transformation(Huang et al.,1995),and a conclusion that the location and the thermodynamic properties associated with the limiting VVCS determine the M-effects on supersonic wall-bounded flows.