“Blocking and rebalance”mechanism-guided design strategies of bimetallic doped 2D a-phosphorus carbide as efficient catalysts for N_(2) electroreduction

Compared to single atom catalysts(SACs),the introduction of dual atom catalysts(DACs)has a significantly positive effect on improving the efficiency in the electrocatalytic nitrogen reduction reaction(NRR)which provides an environmental alternative to the Haber-Bosch process.However,the research on the mechanism and strategy of designing bimetallic combinations for better performance is still in its early stages.Herein,based on"blocking and rebalance"mechanism,45 combinations of bimetallic pair dopedα-phosphorus carbide(TM_(A)TM_(B)@PC)are investigated as efficient NRR catalysts through density functional theory and machine learning method.After a multi-step screening,the combinations of TiV,TiFe,MnMo,and FeW exhibit highly efficient catalytic performance with significantly lower limiting potentials(-0.17,-0.18,-0.14,and-0.30 V,respectively).Excitingly,the limiting potential for CrMo and CrW combinations is 0 V,which are considered to be extremely suitable for the NRR process.The mechanism of"blocking and rebalance"is revealed by the exploration of charge transfer for phosphorus atoms in electron blocking areas.Moreover,the descriptorφis proposed with machine learning,which provides design strategies and accurate prediction for finding efficient DACs.This work not only offers promising catalysts TM_(A)TM_(B)@PC for NRR process but also provides design strategies by presenting the descriptorφ.

Effect of Rigid Pitch Motion on Flexible Vibration Characteristics of a Wind Turbine Blade

Adynamic pitch strategy is usually adopted to improve the aerodynamic performance of the blade of awind turbine.The dynamic pitch motion will affect the linear vibration characteristics of the blade.However,these influences have not been studied in previous research.In this paper,the influences of the rigid pitch motion on the linear vibration characteristics of a wind turbine blade are studied.The blade is described as a rotating cantilever beam with an inherent coupled rigid-flexible vibration,where the rigid pitch motion introduces a parametrically excited vibration to the beam.Partial differential equations governing the nonlinear coupled pitch-bend vibration are proposed using the generalized Hamiltonian principle.Natural vibration characteristics of the inherent coupled rigid-flexible system are analyzed based on the combination of the assumed modes method and the multi-scales method.Effects of static pitch angle,rotating speed,and characteristics of harmonic pitch motion on flexible natural frequencies andmode shapes are discussed.It shows that the pitch amplitude has a dramatic influence on the natural frequencies of the blade,while the effects of pitch frequency and pith phase on natural frequencies are little.

Quantization of Action for Elementary Particles and the Principle of Least Action

The uncertainty principle is a fundamental principle of quantum mechanics, but its exact mathematical expression cannot obtain correct results when used to solve theoretical problems such as the energy levels of hydrogen atoms, one-dimensional deep potential wells, one-dimensional harmonic oscillators, and double-slit experiments. Even after approximate treatment, the results obtained are not completely consistent with those obtained by solving Schrödinger’s equation. This indicates that further research on the uncertainty principle is necessary. Therefore, using the de Broglie matter wave hypothesis, we quantize the action of an elementary particle in natural coordinates and obtain the quantization condition and a new deterministic relation. Using this quantization condition, we obtain the energy level formulas of an elementary particle in different conditions in a classical way that is completely consistent with the results obtained by solving Schrödinger’s equation. A new physical interpretation is given for the particle eigenfunction independence of probability for an elementary particle: an elementary particle is in a particle state at the space-time point where the action is quantized, and in a wave state in the rest of the space-time region. The space-time points of particle nature and the wave regions of particle motion constitute the continuous trajectory of particle motion. When an elementary particle is in a particle state, it is localized, whereas in the wave state region, it is nonlocalized.

Inherent Criteria of Brand Name Translation

This thesis takes the Skopostheorie as the guiding principle,analyzes and explains some important yet tend-to-be neglected standards,that is,the inherent characteristics unique to each product or service category.By means of analyzing cases,either successful or undesirable,it suggests the brand name translation had better imply their underlying features.Such principles may result in amazing translations.

Retrieval of inherent optical properties of the Yellow Sea and East China Sea using a quasi-analytical algorithm

We tested and modified the quasi-analytical algorithm （QAA） using 57 groups of field data collected in the spring of 2003 in the Yellow Sea and East China Sea. The QAA performs well in deriving total absorption coefficients of typical coastal waters. The average percentage difference （APD） is in a range of 13.9%-38.5% for the total absorption coefficient （13.9% at 440 nm）, and differences in particle backscattering coefficient bbp（2） are less than 50% （in the case of the updated QAA）. To obtain improved results, we modified the QAA by adjusting the empirical relationships. The modified algorithm is then applied to the field data to test its performance. The APDs were 44.7%-46.6% for bbp（λ） and 9.9%-32.8% （9.9% at 555 nm） for the total absorption coefficient. This indicates that the modified QAA derives better results. We also used the modified model to derive phytoplankton pigment absorption （aph） and detritus and CDOM absorption （aug） coefficients. The APDs for aph and a dg at 440 nm are 37.1% and 19.8%. In this paper, we discuss error sources using the measured dataset. More independent field data can improve this algorithm and derive better results.

PREDICTION OF WELDING DEFORMATIONS BY FEM BASED ON INHERENT STRAINS

Welding deformations can be predicted by inherent strains that are assumed to be distributed in the welds and nearby area. This method is more convenient compared with the thermo elasto plastic finite element method because only elastic analysis is necessary. The problem is how to know the inherent strains in advance during deformation analysis. The relations between inherent strains and welding parameters based on some experimental curves and a 3 D FEM model were introduced. According to this study, the longitudinal and transverse inherent strains that are the most important factors on welding deformations can be determined. The effectiveness of the proposed methods is demonstrated through the deformation analysis of a large welded cylinder with multipass welds as an example.

Development of index system for inherently safer process design using an integrated approach

With a growing population, an increasing number of petrochemical facilities are built with larger capacity and more complexity, which pose a great risk to assets, community and environment. The value of inherently safer design is recognized with time by all stakeholders, and an effective tool is needed to evaluate and compare inherent safety of alternative technologies. This study developed a safety index to evaluate existing technologies for their safety levels and guide inherently safer design. The Integrated Risk-based Safety Index(IRSI) was developed based on a comprehensive review of petrochemical processes, incident cases from Sinopec and US Chemical Safety Board, and existing safety index systems. The IRSI included all major hazards, including fire, explosion,toxic release, dust explosion, physical explosion, and runaway. Also, the integrated life cycle approach considered chemical hazards, equipment failure rates and safety measures in this risk-based index. Advanced modeling techniques, PHAST simulation and Neural Network, were used in the development of three novel sub-indices in the projects, fire, explosion and toxic release. The index system could be easily incorporated into a user friendly tool for the ease of application. A case study of hydrogen dioxide was conducted using the IRSI, which showed its capability for evaluating the safety level of process facilities.

Assessment of grid inherent vulnerability considering open circuit fault under potential energy framework

A potential energy framework for assessment of grid vulnerability was presented.In the framework,the branch potential energy function model was constructed.Two indexes,current vulnerability and forecasting vulnerability,were calculated.The current vulnerability was used to identify the current vulnerable area through calculating the distance between the current transmitted power and initial transmitted power;and the forecast vulnerability under variation of power injection was used to predict the vulnerable area of next step and verify the current vulnerable area.Numerical simulation was performed under variant operating conditions with IEEE-30 bus system,which shows that almost area of 90% overlaps between current vulnerable area and forecasting vulnerable area,the overlapped area is termed as inherent vulnerable area of grid.When considering N-1 contingency,the assessment results of this method proposed agree with those of optimal power flow.When considering N-2 contingency,optimal power flow fails to obtain correct results,while the method based on energy framework gives reliable results.

A Signed Digraphs Based Method for Detecting Inherently Unsafe Factors of Chemical Process at Conceptual Design Stage

Digraph-based causal models have been widely used to model the cause and effect behavior of process systems. Signed digraphs （SDG） capture the direction of the effect. It should be mentioned that there are loops in SDG generated from chemical process. From the point of the inherent operability, the worst unsafe factor is the SDG having positive loops that means any disturbance occurring within the loop will propagate through the nodes one by one and are amplified gradually, so the system may lose control, which may lead to an accident. So finding the positive loops in a SDG and treating these unsafe factors in a proper manner can improve the inherent safety of a chemical process. This article proposed a method that can detect the above-mentioned unsafe factors in the proc- ess conceptual design stage automatically through the analysis of the SDG generated from the chemical process. A case study is illustrated to show the working of the algorithm, and then a complicated case from industry is studied to depict the effectiveness of the proposed algorithm.

Strength-Toughening Model of Eutectic Ceramic Composite with Inherent Defects

Strengthening and toughening mechanisms in composite ceramics is complex. A change in a single parameter induces multiple property variations. The multiple changes in properties are often incompletely represented in theoretical models. This incompleteness in the parameter chosen fails to explain the mechanism of failure in composite ceramics. The exponential toughness function is used to represent the pull-out toughening mechanism, which dominates the crack growth resistance curve（R-curve）. The strengthening-toughening model is established based on the Mori-Tanaka method（M-T method）. The influence of inherent defects on toughness function and strength is analyzed by using this model. The theoretical result is compared with the experiment data. This model exactly reflects the change in strength. The theoretical result indicates that defects change the toughness function. Moreover, micro-cracks increase toughness size ac, and the strength of crack instable extensions acutely decreases as defect content increases. This presented model establishes the relationship among the important mechanical parameters of defect, strength, elastic modulus, and the R-curve.

The inherent high vulnerability of dopaminergic neurons toward mitochondrial toxins may contribute to the etiology of Parkinson＇s disease

Although the exact mechanism（s）of the degeneration of dopaminergic neurons in Parkinson’s disease（PD）is not well understood,mitochondrial dysfunction is proposed to play a central role.This proposal is strongly strengthened by the findings that compromised mitochondrial functions and/or exposure to mitochondrial toxins such as rotenone,paraquat,or MPTP causes degeneration of the midbrain dopaminergic.

Assessment of the contribution percentage of inherent soil productivity of cultivated land in China

The contribution percentage of inherent soil productivity(CPISP)refers to the ratio of crop yields under no-fertilization versus under conventional fertilization with the same field management.CPISP is a comprehensive measure of soil fertility.This study used 1086 on-farm trials(from 1984-2013)and 27 long-term field experiments(from 1979-2013)to quantify changes in CPISP.Here,we present CPISP3 values,which reflect the CPISP states during the first three years after site establishment,for a series of sites at different locations in China collected in 1984-1990(the 1980s),1996-2000(the 1990s),and 2004-2013(the 2000s).The results showed that the average CPISP3 value for three crops(wheat,rice,and maize)was 53.8%.Historically,the CPISP3 in the 1990s(57.5%)was much higher than those in the 1980s(50.3%),and the 2000s(52.0%)(P≤0.05).Long-term no-fertilization caused CPISP levels to gradually decline and then stabilize;for example,in a mono-cropping system with irrigation,the CPISP values in Northwest and Northeast China declined by 4.5 and 4.0%,respectively,each year for the first ten years,but subsequently,the CPISP values stabilized.In contrast,the CPISP for upland crops in double-cropping systems continued to decrease at a rate of 1.1%per year.The CPISP for upland-paddy cropping decreased very slowly(0.07%per year),whereas the CPISP for paddy cropping decreased sharply(3.1%per year,on average)for the first two years and then remained steady during the following years.Therefore,upland crops in double-cropping systems consume the most inherent soil productivity,whereas paddy fields are favourable for maintaining a high level of CPISP.Overall,our results demonstrate a need to further improve China’s CPISP3 values to meet growing productivity demands.

Study on inherent neutron sources in MSR

The molten salt reactor(MSR) has received much recent attention. The presence of beryllium and the mixing of actinides with light nuclei in the fuel salt result in a relatively strong neutron source that can affect the surveillance at subcritical and transient characteristics during operation. In this study, we predict the inherent neutron sources based on a MSR model. The calculation shows that in the fresh core, the inherent neutron sources are mainly from alpha-induced neutrons. After power operation, the inherent neutron sources become remarkably stronger due to photoneutrons. Although being an insignificant part in the total neutron population during operation, the inherent neutron sources can be used as the installed neutron source after shutdown. If the MSR has continuously operated at full power(2 MWt) for 10 days,then there would be no need for the installed source within80 days after shutdown. After operating constantly for500 days, the installed neutron source can be eliminated within 2 years after shutdown.

Research on the Factors Influencing the Premium Rate of the Inherent Defects Insurance

This paper introduces the composition of the premium rate of Inherent Defects Insurance,and analyzes the factors influencing the premium rate of the Inherent Defects Insurance.

Prediction Models on Distribution of Inherent Strains in T Type Welding Structure

A fundamental theory for the analysis of residual welding stresses and deformation based on the inherent strain distribution along the welded joint is introduced. The method of predicting maximum hardness Hv(y, z) and maximum inherent strain gmax is given. The model T.E.P-Tav-hardness calculation is proposed to predict distribution of inherent strains in T type welding structure. By T.E.P-Tav-hardness calculation, distribution of longitudinal inherent strains can be predicted in T type welding structure, and calculation and experimental results are consistent.

Analysis of the Relationship Between the Meshing Stiffness and the Inherent Characteristics of Planetary Gear Transmission Mechanism

According to the relationship between the meshing stiffness and the inherent characteristics of a seven-speed three-row coupled planetary transmission mechanism,a equivalent concentrated mass dynamics model of the planetary transmission mechanism is established.The natural frequency of the planetary gear train at a specific gear is calculated and extracted.The relationship between the meshing stiffness of each row and the natural frequency of the system is analyzed,thereby avoiding possible resonance behavior by changing the meshing stiffness.These results show that the meshing stiffness,in its range of possible values,has nearly no effect on the low order natural frequency(<4.000.Hz),and that the time-varying meshing stiffness mainly affects the natural frequencies of the higher-and middle-order parts of the system.Changes of the natural frequencies lead to the change of the system's corresponding vibration mode,which will change the vibration situation of the system.

An Inherent Chiral Calix[4]arene Bearing Chiral Groups without Forming Sub-ring

The NMR spectra revealed that the calixarene frame of 1, 3-disubstituted calix[4]arenes beating optically active groups is asymmetric, even without the formation of a sub-ring. This inherent chirality arises from the interaction of the two chiral groups, which hinder the substituents＇ free rotation. Thus, these chiral calix[4]arenes display good chiral recognition ability.

CRYSTALLOGRAPHIC PROPERTIES OF AN INHERENT LOW-ENERGY INTERFACE(1■1)Cu//(0001)_(AIN)IN Cu-AlN BICRYS

A model Cu-AlN composite has been prepared by ion implantation technique and annealing. The atomic configuration and lattice relationship of a low-energy inherent interface(11)Cn//(0001)AlN were studied by using transmission electron microscopy and geometrical modelling. By analysing the dichromatic pattern of the composite,a primary structural unit of the interface atomic configuration was determined for purpose of HREM image simulations and of studying the structurul relaxation state in the near-interface region.

Distribution of Inherent Strains and Residual Stressesin Medium Thickness Plate Weldment

A fundamental theory for the analysis of residual welding stresses and deformation based on the inherent strain distribution along the welded joint is introduced. Distribution of inherent strains and longitudinal residual stresses in medium thickness plate weldment is calculated and analyzed. A new method of calculating inherent strains and longitudinal residual stresses is proposed.

One-step synthesis of inherently chiral p-tert-butylcalix[4]azacrown

A one-step procedure is developed to synthesize inherently chiral p-tert-butylcalix[4]azacrown 1 through etherification between p-tert-butylcalix[4]arene and compound 3, which can be amplifed to efficiently prepare more inherently cbiral calix[4]arenes in ABHH substitution pattern.