A multilayer network diffusion-based model for reviewer recommendation

With the rapid growth of manuscript submissions,finding eligible reviewers for every submission has become a heavy task.Recommender systems are powerful tools developed in computer science and information science to deal with this problem.However,most existing approaches resort to text mining techniques to match manuscripts with potential reviewers,which require high-quality textual information to perform well.In this paper,we propose a reviewer recommendation algorithm based on a network diffusion process on a scholar-paper multilayer network,with no requirement for textual information.The network incorporates the relationship of scholar-paper pairs,the collaboration among scholars,and the bibliographic coupling among papers.Experimental results show that our proposed algorithm outperforms other state-of-the-art recommendation methods that use graph random walk and matrix factorization and methods that use machine learning and natural language processing,with improvements of over 7.62%in recall,5.66%in hit rate,and 47.53%in ranking score.Our work sheds light on the effectiveness of multilayer network diffusion-based methods in the reviewer recommendation problem,which will help to facilitate the peer-review process and promote information retrieval research in other practical scenes.

Studying the co-evolution of information diffusion,vaccination behavior and disease transmission in multilayer networks with local and global effects

Today,with the rapid development of the internet,a large amount of information often accompanies the rapid transmission of disease outbreaks,and increasing numbers of scholars are studying the relationship between information and the disease transmission process using complex networks.In fact,the disease transmission process is very complex.Besides this information,there will often be individual behavioral measures and other factors to consider.Most of the previous research has aimed to establish a two-layer network model to consider the impact of information on the transmission process of disease,rarely divided into information and behavior,respectively.To carry out a more in-depth analysis of the disease transmission process and the intrinsic influencing mechanism,this paper divides information and behavior into two layers and proposes the establishment of a complex network to study the dynamic co-evolution of information diffusion,vaccination behavior,and disease transmission.This is achieved by considering four influential relationships between adjacent layers in multilayer networks.In the information layer,the diffusion process of negative information is described,and the feedback effects of local and global vaccination are considered.In the behavioral layer,an individual's vaccination behavior is described,and the probability of an individual receiving a vaccination is influenced by two factors:the influence of negative information,and the influence of local and global disease severity.In the disease layer,individual susceptibility is considered to be influenced by vaccination behavior.The state transition equations are derived using the micro Markov chain approach(MMCA),and disease prevalence thresholds are obtained.It is demonstrated through simulation experiments that the negative information diffusion is less influenced by local vaccination behavior,and is mainly influenced by global vaccination behavior;vaccination behavior is mainly influenced by local disease conditions,and is less influenced by global disease conditions;the disease transmission threshold increases with the increasing vaccination rate;and the scale of disease transmission increases with the increasing negative information diffusion rate and decreases with the increasing vaccination rate.Finally,it is found that when individual vaccination behavior considers both the influence of negative information and disease,it can increase the disease transmission threshold and reduce the scale of disease transmission.Therefore,we should resist the diffusion of negative information,increase vaccination proportions,and take appropriate protective measures in time.

Multilayer adsorption mechanism of coal surface adsorption to three oxygen molecule

Compared chemical bonds change situation of coal surface and oxygen mole- cules before and after coal surface adsorption to three oxygen molecules,after adsorption each oxygen molecule's chemical bond got longer,but had not broken,the coal surface's chemical bonds changed a little.It proves that the coal surface adsorption to five oxygen molecules is the physical adsorption and is the multilayer adsorption according to the op- timized geometry structure.The oxygen molecule's bond length that adsorbed by the side chain of coal surface changes most from 1.258 2×10^(-10) m to 1.316 8×10^(-10) m,which indi- cates this oxygen molecular to be the liveliest.The analysis of charge population reveals that how many electrons shift in the atom is directly proportional to the change of chemical bonds.The more electrons shift in the atom,the more molecule chemical bond changes. In the adsorption state,which is composed of coal surface and five oxygen molecules,the vibration frequency of oxygen molecules drops off,and the adsorption energy reached by calculation is 202.11 kJ/mol.

Molecular Simulation of Hydrogen Adsorption Density in Single-Walled Carbon Nanotubes and Multilayer Adsorption Mechanism

The adsorption of hydrogen onto single-walled carbon nanotubes (SWCNTs) was studied by molecular dynamics (MD) sim'lation. It was found that the hydrogen molecules distribute regularly inside and outside of the tube. Density distribution was computed for H2 molecule. Theoretical analysis of the result showed the multilayer adsorption mechanism of SWCNTs. The storage of H2 in SWCNTs is computed, which provides essential theoretical reference for further study of hydrogen adsorption in SWCNTs.

Effect of an electrostatic field on gas adsorption and diffusion in tectonic coal

The characteristics of adsorption, desorption, and diffusion of gas in tectonic coal are important for the prediction of coal and gas outbursts. Three types of coal samples, of which both metamorphic grade and degree of damage is different, were selected from Tongchun, Qilin, and Pingdingshan mines. Using a series of experiments in an electrostatic field, we analyzed the characteristics of gas adsorption and diffusion in tectonic coal. We found that gas adsorption in coal conforms to the Langmuir equation in an electrostatic field. Both the depth of the adsorption potential well and the coal molecular electroneg- ativity increases under the action of an electrostatic field. A Joule heating effect was caused by changing the coal-gas system conductivity in an electrostatic field. The quantity of gas adsorbed and AP result from competition between the depth of the adsorption potential well, the coal molecular electronegativ- ity, and the Joule heating effect. △P peaks when the three factors control behavior equally. Compared with anthracite, the impact of the electrostatic field on the gas diffusion capacity of middle and high rank coals is greater. Compared with the original coal, the gas adsorption quantity,△P, and the gas diffusion capacity of tectonic coal are greater in an electrostatic field. In addition, the smaller the particle size of tectonic coal, the larger the△P.

Comparisons between adsorption and diffusion of alkali,alkaline earth metal atoms on silicene and those on silicane:Insight from first-principles calculations

The adsorption and diffusion behaviors of alkali and alkaline-earth metal atoms on silicane and silicene are both investigated by using a first-principles method within the frame of density functional theory.Silicane is staler against the metal adatoms than silicene.Hydrogenation makes the adsorption energies of various metal atoms considered in our calculations on silicane significantly lower than those on silicene.Similar diffusion energy barriers of alkali metal atoms on silicane and silicene could be observed.However,the diffusion energy barriers of alkali-earth metal atoms on silicane are essentially lower than those on silicene due to the small structural distortion and weak interaction between metal atoms and silicane substrate.Combining the adsorption energy with the diffusion energy barriers,it is found that the clustering would occur when depositing metal atoms on perfect hydrogenated silicene with relative high coverage.In order to avoid forming a metal cluster,we need to remove the hydrogen atoms from the silicane substrate to achieve the defective silicane.Our results are helpful for understanding the interaction between metal atoms and silicene-based two-dimensional materials.

Synergistic Multilayer Adsorption for Low Concentration Dyestuffs by Biomass

Due to the high cost of adsorbents and their thermal regeneration in recent years, much research has fo- cused on the search for cheaper adsorbents for treating wastewater from textile industry. The single component ad-sorption of an acidic dye, Acid Yellow 117, and a basic dye, Methylene Blue, onto several adsoroents-bamooo, waste wood, bamboo char, waste wood char, bamboo activated carbon, wood activated carbon and active carbon F400 were conducted. Based on a Langmuir analysis, the monolayer adsorption capacities were determined. Three of the adsorbents were selected for binary layer adsorption to check the multilayer concept and the potential application for better adsorbent usage. The two cheapest adsorbents, bamboo and wood are compared with the commer-cial activated carbon F400, and all three systems were successful.

Characterization of nitrate ions adsorption and diffusion in P(DMAEMA/HEMA) hydrogels

In this work, the adsorption and diffusion behavior of nitrate ions into polycationic P（DMAEMA/HEMA） hydrogels is analyzed. Experimental results indicated that nitrate ions can be removed efficiently from aqueous solutions. Adsorption isotherm of gels was well according to the Langmuir and Langmuir-Freundlich models. At the same time, the diffusion behavior of nitrate ions from P（DMAEMA/HEMA） hydrogels was investigated. The diffusion coefficients are strongly influenced by the changes of temperature and pH value of solutions. At the same time, D does not depend on the gels cross-linking ratio and initial solute concentration.

Mechanism model for shale gas transport considering diffusion, adsorption/desorption and Darcy flow

To improve the understanding of the transport mechanism in shale gas reservoirs and build a theoretical basic for further researches on productivity evaluation and efficient exploitation, various gas transport mechanisms within a shale gas reservoir exploited by a horizontal well were thoroughly investigated, which took diffusion, adsorption/desorption and Darcy flow into account. The characteristics of diffusion in nano-scale pores in matrix and desorption on the matrix surface were both considered in the improved differential equations for seepage flow. By integrating the Langmuir isotherm desorption items into the new total dimensionless compression coefficient in matrix, the transport function and seepage flow could be formalized, simplified and consistent with the conventional form of diffusion equation. Furthermore, by utilizing the Laplace change and Sethfest inversion changes, the calculated results were obtained and further discussions indicated that transfer mechanisms were influenced by diffusion, adsorption/desorption. The research shows that when the matrix permeability is closed to magnitude of 10^-9D, the matrix flow only occurs near the surfacial matrix; as to the actual production, the central matrix blocks are barely involved in the production; the closer to the surface of matrix, the lower the pressure is and the more obvious the diffusion effect is; the behavior of adsorption/desorption can increase the matrix flow rate significantly and slow down the pressure of horizontal well obviously.

Molecular Simulations of Adsorption and Diffusion Behaviors of Benzene Molecules in NaY Zeolite

In the article the Grand Canonical Monte Carlo （GCMC）, molecular dynamics（MD）, and kinetic Monte Carlo （KMC） simulations with particular focus on ascertaining the loading dependence of benzene diffusion in the zeolite were performed. First, a realistic representation of the structure of the sorbate-sorbent system was obtained based on GCMC simulation. The simulation clearly shows the characteristics of the adsorption sites of the benzene-NaY system, from which two kinds of preferably adsorbing sites for benzene molecules, called SⅡ and W sites, are identified. The structure thus obtained was then used as a basis for KMC and MD simulations. A compara-tive study by introducing and comparing two different mechanisms underlying jump diffusion in the zeolite of in-terest shows that the.MS diffusivity values predicted by the KMC and MD methods are fairly close to each other,leading to the conclusion that for benzene diffusion in NaY, the SⅡ→W→SⅡ jumps of benzene molecules are dominated,while the W→Wjumps do not exist in the process. These findings provide further support to our previous conclusion about the absence of the W→W jumps in the process of benzene diffusion in NaY. Finally, to relations, for predicting the self-and MS difthsivities were derived and found to be in fair agreement with the KMC and MD simulations.

Study on Adsorption and Diffusion in Zeolite

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Single Adatom Adsorption and Diffusion on Fe Surfaces

Using Embedded-atom-method (EAM) potential, we have performed in detail molecular dynamics studies on a Fe adatom adsorption and diffusion dynamics on three low miller index surfaces, Fe (110), Fe (001), and Fe (111). Our results present that adatom adsorption energies and diffusion barriers on these surfaces have similar monotonic trend: adsorption energies, Ea(110) Ea(001) Ea(111), diffusion barriers, Ed(110) Ed(001) Ed(111). On the Fe (110) surface, adatom simple jump is the main diffusion mechanism with relatively low energy barrier;nevertheless, adatoms exchange with surface atoms play a dominant role in surface diffusion on the Fe (001).

ADSORPTION DYNAMICS OF MACROPOROUS POLYMERIC ADSORBENT I.The Studies on the Particle Diffusion Mass-Transfer Process

The adsorption dynamics for phenol in aqueous solution of the adsorbent based on polystyrene was studied. In order to distinguish with the Boyd quasi-homogeneous model of the inner structure of ion-exchanger, the particle diffusion model including surface diffusion model and pore diffusion model was suggested which is suitable to the macroporous adsorbent. The diffusiondetermination step of the adsorption process was established and the effective diffusion coefficient was also determined. The influence of surface diffusion and pore diffusion on the particle diffusion rate was investigated qualitatively. All of these were very important to improve the structure of the macroporous adsorbent in order to improve the mass-transfer rate.

Diffusion and Adsorption of Tetralin Hydrocracking Reaction on Different Zeolites by Molecular Simulation

Three different zeolite catalysts with different pore sizes(MFI-type,BEA-type,and FAU-type zeolites)have been prepared.The influence of different zeolite catalysts on reactivity and product shape selectivity of tetralin is investigated.Clear differences are observed in the reactivity of tetralin and distribution of products achieved by different catalysts.The diffusion and adsorption behavior of the reactant tetralin and its intermediates,n-butylbenzene and 1-methylindane under the reaction conditions are simulated using molecular simulation methods.Upon combining simulation results and experimental observations,it is shown that the difference in diffusion coefficient and competitive adsorption capacity can explain the reactivity of tetralin and the selectivity of products.The steric hindrance of the MFI-type zeolite mainly limits the key step of ring opening of tetralin,leading to lower selectivity of ring-opening products.n-Butylbenzene molecules can diffuse sufficiently fast in the large pores of FAU-type zeolite and the weak adsorption capacity of n-butylbenzene leads to its insufficient cracking.In addition,it also explains the reason that the BEA-type zeolite has the best BTX selectivity,because it can satisfy both good ring-opening activity and sufficient butylbenzene cracking depth.

Diffusion Behavior of Cumulative He Doped in Cu/W Multilayer Nanofilms at Room Temperature

Cu/W multilayer nanofilms are prepared in pure Ar and He/At mixing atmosphere by the rf magnetron sputtering method. The cross-sectional morphology and the defect distribution of the Cu/W multilayer nanofilms are characterized by scanning electron microscopy and Doppler broadening positron annihilation spectroscopy. The results show that plenty of point defects can be produced by introducing He during the growth of the multilayer nanofilms. With the increasing natural storage time, He located in the near surface of the Cu//W multilayer nanofilm at room temperature could be released gradually and induce the segregation of He-related defects due to the diffusion of He and defects. However, more He in the deep region spread along the interface of the Cu/W multilayer nanofilm. Meanwhile, the layer interfaces can still maintain their stability.

Regulated adsorption-diffusion and enhanced charge transfer in expanded graphite cohered with N,B bridge-doping carbon patches to boost K-ion storage

The great challenges are remained in constructing graphite-based anode with well built-in structures to accelerate kinetics and enhance stability in the advanced K-ion batteries(KIBs).Here,we firstly report the design of expanded graphite cohered by N,B bridge-doping carbon patches(NBEG)for efficient K-ion adsorption/diffusion and long-term durability.It is the B co-doping that plays a crucial role in maximizing doping-site utilization of N atoms,balancing the adsorption-diffusion kinetics,and promoting the charge transfer between NBEG and K ions.Especially,the robust lamellar structure,suitable interlayer distance,and rich active sites of the designed NBEG favor the rapid ion/electron transfer pathways and high K-ion storage capacity.Consequently,even at a low N,B doping concentration(4.36 at%,2.07 at%),NBEG anode shows prominent electrochemical performance for KIBs,surpassing most of the advanced carbon-based anodes.Kinetic studies,density functional theory simulations,and in-situ Raman spectroscopy are further performed to reveal the K-ion storage mechanism and confirm the critical actions of co-doping B.This work offers the new methods for graphite-electrode design and the deeper insights into their energy storage mechanisms in KIBs.

Analysis of diffusion-adsorption equivalency of landfill liner systems for organic contaminants

The equivalence between multilayered barriers regarding diffusion and adsorption was studied. The bottom boundary of the liner system is defined by assuming concentration continuous and flux continuous conditions of the contaminant between the bottom liner layer and the underlying soil. Five different liner systems were compared in terms of solute breakthrough time. The results of the analysis showed that breakthrough time of the hydrophobic organic compounds for a 2-meter-thick compacted clay liner （CCL） could be 3-4 orders of magnitude is greater than the breakthrough time for a geosynthetic clay liner （GCL） composite liner. The GM/GCL and GM/CCL composite liner systems provide a better diffusion barrier for the hydrophilic organic compounds than that for the hydrophobic compounds due to their different Henry＇s coefficient. The calculated breakthrough times of the organic contaminants for the Chinese standard liner systems were found to be generally greater than those for the GCL alternatives, for the specific conditions examined. If the distribution coefficient increases to 2.8 for the hydrophobic compounds or 1.0 for the hydrophilic compounds, the thickness of the attenuation layer needed to achieve the same breakthrough time as the standard liner systems can be reduced by a factor of about 1.9-2.4. As far as diffusive and adsorption contaminant transport are concerned, GM or GCL is less effective than CCL.

Adsorption Thermodynamics and Diffusion Kinetics of PX over Na Y Zeolite Synthesized by In-Situ Crystallization from Kaolin Microsphere

Para-xylene was chosen as the probe molecule to study adsorption thermodynamics and diffusion kinetics on NaY zeolite and composite structured NaY zeolite synthesized by in-situ crystallization from kaolin microsphere(designated as Na Y/kaolin composites) separately, using a high precision intelligent gravimetric analyzer(IGA). The adsorption isotherms showed normal Langmuir type-Ⅰ behaviors. The increased adsorption heat with an increasing p-xylene coverage supported a mechanism of phase transition, diffusion and re-arrangement of p-xylene molecules during the adsorption process. The rearrangement seemed to be most pronounced at an adsorption loading of 2.13 and 2.29 mmol/g for Na Y zeolite and Na Y/kaolin composites respectively. Compared with Na Y zeolite, a 2—3 times higher in the diffusion coefficient of p-xylene was observed on Na Y/kaolin composites when the pressure was more than 50 Pa. Temperature-programmed desorption(TPD) of p-xylene on two samples from room temperature to 450 ℃ at a special loading has also been investigated by IGA. Results showed only single desorption peak appeared for Na Y zeolite, indicating that adsorption can only occur in the super-cage structure. Comparably, there were two different peaks for in-situ synthesized Na Y zeolite, corresponding to the two thermo desorption processes in both super-cage structure and the channels provided by kaolin, respectively.Key words:

Diffusion and Adsorption of Benzene and Propylene in MFI,MWW and BEA Zeolites:Molecular Dynamics and Grand Canonical Monte Carlo Simulations

The diffusion and adsorption behaviors of benzene and propylene in zeolites MFI, MWW and BEA have been studied by molecular dynamics（MD） and grand canonical Monte Carlo（GCMC） simulations. The diffusion coefficients of benzene and propylene in MFI, MWW and BEA zeolites were calculated by simulating the mean-square displacements（MSD） at 298 and 600 K. Benzene and propylene showed the different adsorption rules in the channels of the three zeolites. For propylene, the molecular loadings decreased in the order： BEA（linear channel）〉BEA （tortuous channel）〉MFI（linear channel）〉MWW（12-membered rings, 12MR channel）〉MFI（tortuous channel）〉MWW （10-membered rings, 10MR channel）; for benzene, the molecular loadings decreased in the order： BEA（linear chan-nel）〉BEA（tortuous channel）〉MWW（12MR channel）〉MFI（linear channel）〉MFI（tortuous channel）〉MWW（10MR channel）. Besides, the adsorption isotherms of benzene and propylene in the three zeolites at 298 and 443 K were simulated. The results show that the different factors influenced the molecular adsorption at various temperatures and pressures, leading to the different rules for the adsorption of benzene and propylene molecules in the zeolites. At a low pressure, the unfavorable energy would make the loadings of propylene lower than those of benzene. When pressure was higher than 0.25 kPa, the adsorption of benzene in MFI would nearly reach saturation.

Adsorptions and diffusions of carbon atoms on the surface and in the subsurface of Co(200): A first-principles density-functional study

First-principles calculations based on density functional theory are used to investigate the adsorptions and diffusions of carbon atoms on the surface and in the subsurface of Co （200）. The preferred site for the carbon atom on the surface is the hollow site, and the preferred site in the subsurface is the octahedral site. There is charge transfer from the surface to the adsorbed carbon atom, and for the most favorable adsorbed structure the charge transfer is largest. Moreover, the energy barriers for the diffusions of carbon atoms on the surface and from the surface into the subsurface and then back to the surface are calculated in detail. The results indicate that the energy barrier for the diffusion of carbon atoms on the surface is comparable to that from the subsurface to the surface. The results imply that both the direct surface nucleation and the surface segregation from Co bulk can be observed in the chemical vapor deposition growth of graphene on Co （200） substrate, which can gain a new insight into the growth mechanism of graphene.