Theoretically predicted innovative palladium stripe dopingcobalt(111) surface with excellent catalytic performance for carbonmonoxide oxidative coupling to dimethyl oxalate

Pd-based catalysts are extensively employed to catalyze CO oxidative coupling to generate DMO,while the expensive price and high usage of Pd hinder its massive application in industrial production.Designing Pd-based catalysts with high efficiency and low Pd usage as well as expounding the catalytic mechanisms are significant for the reaction.In this study,we theoretically predict that Pd stripe doping Co(111)surface exhibits excellent performance than pure Pd(111),Pd monolayer supporting on Co(111)and Pd single atom doping Co(111)surface,and clearly expound the catalytic mechanisms through the density functional theory(DFT)calculation and micro-reaction kinetic model analysis.It is obtained that the favorable reaction pathway is COOCH_(3)-COOCH_(3)coupling pathway over these four catalysts,while the rate-controlling step is COOCH_(3)+CO+OCH_(3)→2COOCH_(3)on Pd stripe doping Co(111)surface,which is different from the case(2COOCH_(3)→DMO)on pure Pd(111),Pd monolayer supporting on Co(111)and Pd single atom doping Co(111)surface.This study can contribute a certain reference value for developing Pd-based catalysts with high efficiency and low Pd usage for CO oxidative coupling to DMO.

A Numerical Study on Effects of Land-Surface Heterogeneity from' Combined Approach' on Atmospheric ProcessPart II: Coupling-Model Simulations

Two land surface schemes, one the standard Biosphere / Atmosphere Transfer Scheme Version ie (BOZ) and the other B1Z based on B0Z and heterogeneously-treated by' combined approach' , were co 'pled to the meso-scale model MM4, respectively. Through the calculations of equations from the companion paper, parameters representing land surface heterogeneity and suitable for the coupling models were found out. Three cases were simulated for heavy rainfalls during 36 hours, and the sensitivity of short-term weather modeling to the land surface heterogeneity was tested. Through the analysis of the simulations of the three heavy rainfalls, it was demonstrated that BIZ, compared with BOZ, could more realistically reflect the features of the land surface heterogeneity, therefore could more realistically reproduce the circulation and precipitation amount in the heavy rainfall processes of the three cases. This shows that even short-term weather is sensitive to the land surface heterogeneity, which is more obvious with time passing, and whose influence is more pronounced in the lower layer and gradually extends to the middle and upper layer. Through the analysis of these simulations with BlZ, it is suggested that the bulk effect of smaller-scale fluxes (i.e., the momentum, water vapor and sensible heat fluxes) near the s ig nificantly-heterogeneous land surface is to change the larger-scale (i.e., meso-scale) circulation, and then to influence the development of the low-level jets and precipitation. And also, the complexity of the land-atmosphere interaction was shown in these simulations.

Coupling Modeling for Functional Surface of Electronic Equipment

High performance electromechanical equipment is widely used in various fields, such as national defense, industry and so on [ 1]. In addition, the technical level of high performance electromechanical equipment is the embodiment of the national level of science and technology.

Simulation of the Asian Monsoon by IAP AGCM Coupled with an Advanced Land Surface Model(IAP94)

In this paper, the global and regional features of the seasonal variation of general circulation, and especially the Asian monsoon simulated by the Institute of Atmospheric Physics Two-level AGCM coupled with a sophisticated land-surface model (IAP94-GCM) are presented and compared with the observation. The comparison is made by using the equilibrium multiyear seasonal cycle climate from a 100-year integration. In the integration sea surface temperature (SST) and sea ice are taken from the observed climatological data (with seasonal variation) because our purpose is to see the improvement of simulation due to the coupling with an advanced land surface model. Overall, the IAP94-GCM provides a reasonably realistic simulation of the interseasonal and intraseasonal climatology of the Asian monsoon and yields an important information that sheds light on the thermal underpinning and the thermodynamics of the seasonal and even multiscale variabilities associated with the Asian summer monsoon.

A Land Surface Model(IAP94)for Climate Studies Part II: Implementation and Preliminary Results of Coupled Model with IAP GCM

The Institute of Atmospheric Physics Land Surface Model (IAP94) has been incorporated into the IAP two-level atmospheric general circulation model (IAP GCM). Global and regional climatology averaged over the last 25 years of 100 year integrations from the IAP GCM with and without IAP94 (“bucket” scheme) is compared. The simulated results are also compared with the reanalysis data. Major findings are: \ \ (1) The IAP GCM simulation without IAP94 has extensive regions of warmer than observed surface air temperatures, while the simulation with IAP94 very much improves the surface air temperature. \ \ (2) The IAP GCM simulation with IAP94 gives improvement of the simulated precipitation pattern and intensity, especially the precipitation of East Asian summer monsoon and its intraseasonal migration of the rainbelts. \ \ (3) In five selected typical regions, for most of the surface variables such as surface air temperature, precipitation, precipitation minus evaporation, net radiation, latent heat flux and sensible heat flux, the IAP GCM with IAP94 provides better simulations.

Sensitive study of the long and short surface wave-induced vertical mixing in a wave-circulation coupled model

The previous studies by the MASNUM research team have shown the effectiveness of the wave- induced mixing （By） in improving the simulation of upper-ocean thermal structure. The mech- anisms of Bv are further investigated by incorporating different Bv products into the MASNUM wave-circulation coupled model. First, experiments were designed to explore the effects of By, which contain the contributions at different wave lengths （l）. The results of three experiments, the non-By case, the short-wave case （l 〈300 m）, and the long-wave case （l 〉300 m） are compared, and it is found that the long waves are the most important component for By to generate mixing in the upper ocean. As the swell plays dominant role in mixing, the parameterization of Bv into wind may be not a proper way. Second, Bv effects at different time-scales, including daily and monthly, were examined. The results show that the monthly averaged By has larger impact than the daily averaged Bv, especially in summer.

Hardening mechanism and thermal-solid coupling model of laminar plasma surface hardening of 65 Mn steel

In the present work,the laminar plasma surface hardening method is employed to enhance the service life of metal components fabricated from 65 Mn steel.The mechanical and wear behaviors of the laminar plasma surface hardened 65 Mn steel were analyzed.The martensite transition transformation of the temperature of the laminar plasma-hardened 65 ferrite Mn steel was determined by a thermal-solid coupling model.Based on the orthogonal experimental results,the optimal hardening parameters were confirmed.The scanning velocity,quenching distance and arc current are 130 mm/min,50 mm and 120 A,respectively.The pearlites and ferrites are transformed into martensites in the hardened zone,while the ratio of martensite in the heataffected zone decreases with the increase in the hardening depth.Compared to the untreated 65Mn steel,the average hardness increases from 220 HV_(0.2)to 920 HV_(0.2)in the hardened zone and the corresponding absorbed power increases from 118.7 J to 175.5 J.At the same time,the average coefficient of friction(COF)decreases from 0.763 to 0.546,and the wear rate decreases from 5.39×10^(-6)mm^(3)/(N·m)to 2.95×10^(-6)mm^(3)/(N·m),indicating that the wear resistance of 65Mn steel could be significantly improved by using laminar surface hardening.With the same hardening parameters,the depth and width of the hardened zone predicted by the thermal-solid coupling model are 1.85 mm and 11.20 mm,respectively,which are in accordance with the experimental results;depth is 1.83 mm and width is 11.15 mm.In addition,the predicted hardness distributions of the simulation model are in accordance with the experimental results.These results indicate that the simulation model could effectively predict the microstructure characteristics of 65 Mn steel.

The integration of nitrogen dynamics into a land surface model. Part 1: model description and site-scale validation

Nitrogen cycling has profound effects on carbon uptake in the terrestrial ecosystem and the response of the biosphere to climate changes.However,nutrient cycling is not taken into account in most land surface models for climate change.In this study,a nitrogen model,based on nitrogen transformation processes and nitrogen fluxes exchange between the atmosphere and terrestrial ecosystem,was incorporated into the Atmosphere–Vegetation Interaction Model(AVIM)to simulate the carbon cycle under nitrogen limitation.This new model,AVIM-CN,was evaluated against site-scale eddy covariance–based measurements of an alpine meadow located at Damxung station from the FLUXNET 2015 dataset.Results showed that the annual mean gross primary production simulated by AVIM-CN(0.7073 gC m^-2 d^-1)was in better agreement with the corresponding flux data(0.5407 gC m^-2 d^-1)than the original AVIM(1.1403 gC m^-2 d^-1)at Damxung station.Similarly,ecosystem respiration was also down-regulated,from 1.7695 gC m^-2 d^-1 to 1.0572 gC m^-2 d^-1,after the nitrogen processes were introduced,and the latter was closer to the observed vales(0.8034 gC m^-2 d^-1).Overall,the new results were more consistent with the daily time series of carbon and energy fluxes of observations compared to the former version without nitrogen dynamics.A model that does not incorporate the limitation effects of nitrogen nutrient availability will probably overestimate carbon fluxes by about 40%.

Kinetic simulation of oxidative coupling of methane over perovskite catalyst by genetic algorithm:Mechanistic aspects

The reaction kinetics of oxidative coupling of methane catalyzed by perovskite was studied in a fixed bed flow reactor.At atmospheric pressure,the reactions were carried out at 725,750 and 775℃,inlet methane to oxygen ratios of 2 to 4.5 and gas hourly space velocity （GHSV） of 100 min^-1.Correlation of the kinetic data has been performed with the proposed mechanisms.The selected equations have been regressed with experimental data accompanied by genetic algorithm （GA） in order to obtain optimized parameters.After investigation the Langmuir-Hinshelwood mechanism was selected as the best mechanism,and Arrhenius and adsorption parameters of this model were obtained by linear regression.In this research the Marquardt algorithm was also used and its results were compared with those of genetic algorithm.It should be noted that the Marquardt algorithm is sensitive to the selection of initial values and there is possibility to trap in a local minimum.

A New Ocean Mixed-Layer Model Coupled into WRF

A new mesoscale air-sea coupled model (WRF- OMLM-Noh) was constructed based on the Weather Research and Forecasting (WRF) model and an improved Mellor-Yamada ocean mixed-layer model from Noh and Kim (OMLM-Noh). Through off-line tests and a simulation of a real typhoon, the authors compared the performance of the WRF-OMLM-Noh with another existing ocean mixed-layer coupled model (WRF-OMLM-Pollard). In the off-line tests with Tropical Ocean Global Atmosphere Program's Coupled Ocean Atmosphere Response Experiment (TOGA-COARE) observational data, the results show that OMLM-Noh is better able to simulate sea surface temperature (SST) variational trends than OMLM -Pollard. Moreover, OMLM-Noh can sufficiently reproduce the diurnal cycle of SST. Regarding the typhoon case study, SST cooling due to wind-driven ocean mixing is underestimated in WRF-OMLM-Pollard, which artificially increases the intensity of the typhoon due to more simulated air-sea heat fluxes. Compared to the WRF- OMLM-Pollard, the performance of WRF-OMLM-Noh is superior in terms of both the spatial distribution and temporal variation of SST and air-sea heat fluxes.

Interannual variability of the sea surface salinity and its related freshwater flux in the tropical Pacific:A comparison of CMIP5 and CMIP6

This paper assesses the interannual variabilities of simulated sea surface salinity(SSS)and freshwater flux(FWF)in the tropical Pacific from phases 5 and 6 of the Coupled Model Intercomparison Project(CMIP5 and CMIP6).The authors focus on comparing the simulated SSS and FWF responses to El Nino–Southern Oscillation(ENSO)from two generations of models developed by the same group.The results show that CMIP5 and CMIP6 models can perform well in simulating the spatial distributions of the SSS and FWF responses associated with ENSO,as well as their relationship.It is found that most CMIP6 models have improved in simulating the geographical distribution of the SSS and FWF interannual variability in the tropical Pacific compared to CMIP5 models.In particular,CMIP6 models have corrected the underestimation of the spatial relationship of the FWF and SSS variability with ENSO in the central-western Pacific.In addition,CMIP6 models outperform CMIP5 models in simulating the FWF interannual variability(spatial distribution and intensity)in the tropical Pacific.However,as a whole,CMIP6 models do not show improved skill scores for SSS interannual variability,which is due to their overestimation of the intensity in some models.Large uncertainties exist in simulating the interannual variability of SSS among CMIP5 and CMIP6 models and some improvements with respect to physical processes are needed.

Improved sea-ice radiative processes in a global coupled climate model

The NASA Goddard Institute for Space Studies (GISS) coupled global climatemodel was used to investigate the sensitivity of sea ice to improved representations of sea-iceradiative processes: (1) a more sophisticated surface albedo scheme and (2) the penetration of solarradiation in sea ice. The results show that the large-scale sea-ice conditions are very sensitiveto the aforementioned parameteriza-tions. Although the more sophisticated surface albedo schemeproduces a more realistic seasonal cycle of the surface albedo as compared with the baselinesimulation, the resulting higher albedo relative to the baseline simulation generates much more andthicker ice in the arctic. The penetration of solar radiation in sea-ice itself tends to reduce theice cover and thickness in the entire arctic and the western antarctic, and increase the ice coverand thickness in the eastern antarctic. The combination of (1) and (2) significantly improves thesimulations of the average ice thickness and its spatial distribution in the arctic. The atmosphericresponses associated with sea-ice changes were also discussed. While improvements are seen,particularly of the ice thickness distribution, there are still some unrealistic aspects that willrequire further improvements to the sea-ice component.

Climate Simulations Based on a Different-GridNested and Coupled Model

An atmosphere-vegetation interaction model (AVIM) has been coupled with a nine-layer General Cir culation Model (GCM) of Institute of Atmospheic Physics / State Key Laboratory of Numerical Modeling for Atmospheric Sciences and Geophysical Fluid Dynamics (IAP/ LASG), which is rhomboidally truncated at zonal wave number 15, to simulate global climatic mean states. AVIM is a model having inter-feedback between land surface processes and eco-physiological processes on land. As the first step to couple land with atmosphere completely, the physiological processes are fixed and only the physical part (generally named the SVAT (soil-vegetation-atmosphere-transfer scheme) model) of AVIM is nested into IAP/ LASG L9R15 GCM. The ocean part of GCM is prescribed and its monthly sea surface temperature (SST) is the climatic mean value. With respect to the low resolution of GCM, i.e., each grid cell having lon gitude 7.5?and latitude 4.5? the vegetation is given a high resolution of 1.5?by 1.5?to nest and couple the fine grid cells of land with the coarse grid cells of atmosphere. The coupling model has been integrated for 15 years and its last ten-year mean of outputs was chosen for analysis.Compared with observed data and NCEP reanalysis, the coupled model simulates the main characteris tics of global atmospheric circulation and the fields of temperature and moisture. In particular, the simu lated precipitation and surface air temperature have sound results. The work creates a solid base on coupling climate models with the biosphere.

Dual-Polarized RIS-Based STBC Transmission with Polarization Coupling Analysis

The rapid development of the reconfigurable intelligent surface(RIS)technology has given rise to a new paradigm of wireless trans-mitters.At present,most research works on RIS-based transmitters focus on single-polarized RISs.In this paper,we propose a dual-polarized RIS-based transmitter,which realizes 4-transmit space-time block coding(STBC)transmission by properly partitioning RIS’s unit cells and utilizing the degree of freedom of polarization.The proposed scheme is evaluated through a prototype system that utilizes a fabricated dual-polarized phase-adjustable RIS.In particular,the polarization coupling phenomenon in each unit cell of the employed dual-polarized RIS is modeled and analyzed.The experimental results are in good agreement with the theoretical modeling and analysis results,and an initial re-search effort is made on characterizing the polarization coupling property in the dual-polarized RIS.

Study of Mode Coupling on Coaxial Resonators

A study of mode coupling phenomenon of coaxial resonators has been conducted with theories. Through establishing the source-free transmission line equation, boundary conditions of the coaxial resonators with a corrugated inner conductor are analyzed. In the end, calculations are performed in a wide range of corrugation parameters for the resonator of the Karlsruhe Institute of Technology （KIT） relevant coaxial gyrotron.

Effect of mesoscale wind stress-SST coupling on the Kuroshio extension jet

Effect of mesoscale wind stress-SST coupling on the Kuroshio extension jet is studied using the Regional Ocean Modeling System. The mesoscale wind stress perturbation( τ_(MS)) is diagnostically determined from modelled mesoscale SST perturbation(SST_(MS)) by using their empirical relationship derived from corresponding observation. From comparing two experiments with and without the τ_(MS) feedback, it is found that the interactively represented τ_(MS)-SST_(MS) coupling can modulate the kinetic energy along the Kuroshio extension jet, with little effect on the Kuroshio pathway. Similar results are also obtained in three additional sensitivity experiments, which consider half strength of the τ_(MS), and the momentum flux and heat flux effect induced by τ_(MS), respectively. That means simply taking into account the τ_(MS)-SST_(MS) coupling has little effect on improving the simulation of the Kuroshio Current system.

AN IMPROVED LAND-SURFACE PROCESS MODEL AND ITS SIMULATION EXPERIMENT—PART II:COUPLING SIMULATION EXPERIMENT OF LAND-SURFACE PROCESS MODEL WITH REGIONAL CLIMATE MODEL

The Land-surface Process Model(LPM-ZD)has been successfully coupled with the regional climate model RegCM2 of NCAR.Then thus-obtained coupled model(CRegCM)has been applied to simulate the climate characteristics of heavy rain in middle and East China for three months from May to July 1991.and compared with model output of NCAR-RegCM2 using BATS as land- surface process scheme,abbreviated as NRegCM.The results show that CRegCM has good ability and performance.CRegCM successfully simulates the extreme precipitation event and the simulations of CRegCM for surface temperature and some physical variables related to land surface process are more reasonable than those of NRegCM.

陆面模式SSiB耦合TOPMODEL对流域水文模拟影响的数值试验

为了检验陆面模式SSiB耦合TOPMODEL模型对流域水量平衡模拟结果的影响,用原始SSiB与TOPMODEL按饱和区和非饱和区两种方案耦合的耦合模型(下称SSiBT)进行长江下游青弋江流域水文的数值试验,通过耦合模型与原始SSiB模式模拟结果的比较,并利用流域实测逐日流量和水量平衡资料,揭示了流域水文模拟结果对SSiB耦合TOPMODEL的响应和原因。结果表明:(1)与原始SSiB的模拟结果相比,SSiBT增加了土壤湿度的模拟结果和各层土壤湿度之间的差异,流域蒸散发增加而总径流减小。(2)原始SSiB不能准确地将径流在地表径流和基流之间分配,对于较小的土壤饱和导水率,原始SSiB产生过多的地表径流和洪峰流量;对于较大的土壤饱和导水率又产生过多的基流和明显偏小的洪峰流量。(3)即使土壤饱和导水率大到不会产生超渗产流,由于饱和区的存在,SSiBT在洪水期间也能产生足够大的地表径流,从而形成洪峰流量。由于考虑了地形引起的土壤湿度空间非均匀形成的饱和区产流,SSiBT改善了雨季逐日流量的模拟结果。

Projections of changes in marine environment in coastal China seas over the 21^st century based on CMIP5 models

The increases of atmospheric carbon dioxide and other greenhouse gases have caused fundamental changes to the physical and biogeochemical properties of the oceans,and it will continue to occur in the foreseeable future.Based on the outputs of nine Earth System Models from the fifth phase of the Coupled Model Intercomparison Project(CMIP5),in this study,we provided a synoptic assessment of future changes in the sea surface temperature(SST),salinity,dissolved oxygen(DO),seawater pH,and marine net primary productivity(NPP)in the coastal China seas over the 21st century.The results show that the mid-high latitude areas of the coastal China seas(East China Seas(ECS),including the Bohai Sea,Yellow Sea,and East China Sea)will be simultaneously exposed to enhanced warming,deoxygenation,acidification,and decreasing NPP as a consequence of increasing greenhouse gas emissions.The magnitudes of the changes will increase as the greenhouse gas concentrations increase.Under the high emission scenario(Representative Concentration Pathway 8.5),the ECS will experience an SST increase of 3.24±1.23℃,a DO concentration decrease of 10.90±3.92μmol/L(decrease of 6.3%),a pH decline of 0.36±0.02,and a NPP reduction of-17.7±6.2 mg/(m2·d)(decrease of 12.9%)relative to the current levels(1980-2005)by the end of this century.The co-occurrence of these changes and their cascade effects are expected to induce considerable biological and ecological responses,thereby making the ECS among the most vulnerable ocean areas to future climate change.Despite high uncertainties,our results have important implications for regional marine assessments.

Relationships of Interannual Variability Between the Equatorial Pacific and Tropical Indian Ocean in 17 CMIP5 Models

Seventeen coupled general circulation models from the Coupled Model Intercomparison Project Phase 5 （CMIP5） are employed to assess the relationships of interannual variations of sea surface temperature （SST） between the tropical Pacific （TP） and tropical Indian Ocean （TIO）. The eastern/central equatorial Pacific features the strongest SST interannual variability in the models except for the model CSIRO-Mk3-6-0, and the simulated maximum and minimum are produced by models GFDL-ESM2M and GISS-E2-H respectively. However, It remains a challenge for these models to simulate the correct climate mean SST with the warm pool-cold tongue structure in the equatorial Pacific. Almost all models reproduce E1 Nifio-Southem Oscillation （ENSO）, Indian Ocean Dipole mode （IOD） and Indian Ocean Basin-wide mode （lOB） together with their seasonal phase lock features being simulated; but the relationship between the ENSO and IOD is different for different models. Consistent with the observation, an Indian Ocean basin-wide warming （cooling） takes place over the tropical Indian Ocean in the spring following an E1 Nifio （La Nifia） in almost all the models. In some models （e.g., GFDL-ESM2G and MIROC5）, positive ENSO and IOB events are stronger than the negative events as shown in the observation. However, this asymmetry is reversed in some other models （e.g., HadGEM2-CC and HadGEM2-ES）.