The impact of negative edges on spreading in signed networks

In signed networks, negative edges represent negative relationships; the increase or gathering of negative interpersonal relationships can lead to social turmoil, which will affect the spreading of diseases or information. Therefore, it is significant to study the impact of the proportion and configuration of negative edges on spreading. In this paper, to study the impact of negative relationships on spreading, we propose a heterogeneous spreading model using signed networks. In this model, we use the balance of the local structure to quantify the probability of contact between individuals, making the contacts heterogeneous. We then examine the impact of negative edges on spreading using numerical simulations. We find that the balance of the network and the spreading coverage (i.e. outbreak size) gradually decrease with the proportion of negative edges. Compared with preference configurations (in which negative signs are placed on edges that have an important impact on spreading), a random configuration (in which negative signs are placed on random edges) has a suppressive effect on spreading. This provides information for epidemic prevention. Finally, we find that there are two important factors — contact probability and spreading paths — that could explain the observed spreading phenomena.

Theoretical Study on Proton Diffusivity in Y-Doped BaZrO3 with Realistic Dopant Configurations

We theoretically revisit the proton diffusivity in yttrium-doped barium zirconate (Y-doped BaZrO₃) with realistic dopant configurations under processing conditions. In a recent study employing the replica exchange Monte Carlo method, the equilibrium Y configurations at typical sintering temperatures were shown to deviate from the random configuration assumed in earlier theoretical studies. In the present study, we took this observation into account and evaluated the effect of the Y configuration on the proton diffusivity. Using the master equation approach based on local diffusion barriers calculated from first principles, the proton diffusivities under realistic Y configurations were estimated to be higher than those in the random configuration. This is explained by the fact that realistic Y configurations have fewer trap sites with deep potential wells compared to the random configuration due to the isolation trend of Y dopants. In addition, the effects of proton-proton interaction and the abundance of preferential conduction pathways are discussed; it is found that both are relatively minor factors compared to the trap site effect in determining the dependence of the proton diffusivity on the Y configurations.<br>

Theoretical Study on Proton Diffusivity in Y-Doped BaZrO3 with Realistic Dopant Configurations

We theoretically revisit the proton diffusivity in yttrium-doped barium zirconate (Y-doped BaZrO₃) with realistic dopant configurations under processing conditions. In a recent study employing the replica exchange Monte Carlo method, the equilibrium Y configurations at typical sintering temperatures were shown to deviate from the random configuration assumed in earlier theoretical studies. In the present study, we took this observation into account and evaluated the effect of the Y configuration on the proton diffusivity. Using the master equation approach based on local diffusion barriers calculated from first principles, the proton diffusivities under realistic Y configurations were estimated to be higher than those in the random configuration. This is explained by the fact that realistic Y configurations have fewer trap sites with deep potential wells compared to the random configuration due to the isolation trend of Y dopants. In addition, the effects of proton-proton interaction and the abundance of preferential conduction pathways are discussed; it is found that both are relatively minor factors compared to the trap site effect in determining the dependence of the proton diffusivity on the Y configurations.<br>

The Analysis and the Measurement of Poverty: An Interval Based Composite Indicator Approach

The analysis and measurement of poverty is a crucial issue in the field of social science. Poverty is a multidimensional notion that can be measured using composite indicators relevant to synthesizing statistical indicators. Subjective choices could, however, affect these indicators. We propose interval-based composite indicators to avoid the problem, enabling us in this context to obtain robust and reliable measures. Based on a relevant conceptual model of poverty we have identified, we will consider all the various factors identified. Then, considering a different random configuration of the various factors, we will compute a different composite indicator. We can obtain a different interval for each region based on the distinct factor choices on the different assumptions for constructing the composite indicator. So we will create an interval-based composite indicator based on the results obtained by the Monte-Carlo simulation of all the different assumptions. The different intervals can be compared, and various rankings for poverty can be obtained. For their parameters, such as center, minimum, maximum, and range, the poverty interval composite indicator can be considered and compared. The results demonstrate a relevant and consistent measurement of the indicator and the shadow sector's relevant impact on the final measures.

Theoretical Study on Proton Diffusivity in Y-Doped BaZrO3 with Realistic Dopant Configurations

We theoretically revisit the proton diffusivity in yttrium-doped barium zirconate (Y-doped BaZrO₃) with realistic dopant configurations under processing conditions. In a recent study employing the replica exchange Monte Carlo method, the equilibrium Y configurations at typical sintering temperatures were shown to deviate from the random configuration assumed in earlier theoretical studies. In the present study, we took this observation into account and evaluated the effect of the Y configuration on the proton diffusivity. Using the master equation approach based on local diffusion barriers calculated from first principles, the proton diffusivities under realistic Y configurations were estimated to be higher than those in the random configuration. This is explained by the fact that realistic Y configurations have fewer trap sites with deep potential wells compared to the random configuration due to the isolation trend of Y dopants. In addition, the effects of proton-proton interaction and the abundance of preferential conduction pathways are discussed; it is found that both are relatively minor factors compared to the trap site effect in determining the dependence of the proton diffusivity on the Y configurations.<br>

Theoretical Study on Proton Diffusivity in Y-Doped BaZrO3 with Realistic Dopant Configurations

We theoretically revisit the proton diffusivity in yttrium-doped barium zirconate (Y-doped BaZrO₃) with realistic dopant configurations under processing conditions. In a recent study employing the replica exchange Monte Carlo method, the equilibrium Y configurations at typical sintering temperatures were shown to deviate from the random configuration assumed in earlier theoretical studies. In the present study, we took this observation into account and evaluated the effect of the Y configuration on the proton diffusivity. Using the master equation approach based on local diffusion barriers calculated from first principles, the proton diffusivities under realistic Y configurations were estimated to be higher than those in the random configuration. This is explained by the fact that realistic Y configurations have fewer trap sites with deep potential wells compared to the random configuration due to the isolation trend of Y dopants. In addition, the effects of proton-proton interaction and the abundance of preferential conduction pathways are discussed; it is found that both are relatively minor factors compared to the trap site effect in determining the dependence of the proton diffusivity on the Y configurations.<br>

Theoretical Study on Proton Diffusivity in Y-Doped BaZrO3 with Realistic Dopant Configurations

We theoretically revisit the proton diffusivity in yttrium-doped barium zirconate (Y-doped BaZrO₃) with realistic dopant configurations under processing conditions. In a recent study employing the replica exchange Monte Carlo method, the equilibrium Y configurations at typical sintering temperatures were shown to deviate from the random configuration assumed in earlier theoretical studies. In the present study, we took this observation into account and evaluated the effect of the Y configuration on the proton diffusivity. Using the master equation approach based on local diffusion barriers calculated from first principles, the proton diffusivities under realistic Y configurations were estimated to be higher than those in the random configuration. This is explained by the fact that realistic Y configurations have fewer trap sites with deep potential wells compared to the random configuration due to the isolation trend of Y dopants. In addition, the effects of proton-proton interaction and the abundance of preferential conduction pathways are discussed; it is found that both are relatively minor factors compared to the trap site effect in determining the dependence of the proton diffusivity on the Y configurations.<br>

Towards Self-Doping Multimetal Porphyrin Systems

<p>Heating Cu(II)tetraphenylporphyrin (TPPCu) with chromocene at 120 °C affords the crystalline self-doped multimetal porphyrin system TPPCu/TPPCr in good yield. The X-ray structural analysis reveals a random configuration of TPPCu and TPPCr with a Cu:Cr ratio of about 71:29 %. Exploratory DFT calculations indicate significant electron transfer in a hypothetical cationic TPPCu/TPPRu system, in contrast to TPPCu/TPPCr.</p>

Towards Self-Doping Multimetal Porphyrin Systems

<p>Heating Cu(II)tetraphenylporphyrin (TPPCu) with chromocene at 120 °C affords the crystalline self-doped multimetal porphyrin system TPPCu/TPPCr in good yield. The X-ray structural analysis reveals a random configuration of TPPCu and TPPCr with a Cu:Cr ratio of about 71:29 %. Exploratory DFT calculations indicate significant electron transfer in a hypothetical cationic TPPCu/TPPRu system, in contrast to TPPCu/TPPCr.</p>