Correlation consistent effective core potentials for late 3d transition metals adapted for plane wave calculations

We construct a new modification of correlation consistent effective potentials (ccECPs) for late $3d$ elements Cr-Zn with Ne-core that are adapted for efficiency and low energy cut-offs in plane wave calculations. The decrease in accuracy is rather minor so that the constructions are in the same overall accuracy class as the original ccECPs. The resulting new constructions work with energy cut-offs at or below $\approx$ 400 Ry and thus make calculations of large systems with transition metals feasible for plane wave codes. We provide also the basic benchmarks for atomic spectra and molecular tests of this modified option that we denote as ccECP-soft

Optimization of the Rapid Design System for Arts and Crafts Based on Big Data and 3D Technology

In this paper, to solve the problem of slow design of arts and crafts and to improve design efficiency and aesthetics, the existing big data and 3D technology are used to conduct an in-depth analysis of the optimization of the rapid design system of arts and crafts machine salt baking. In the system requirement analysis, the functional modules of this system are identified as nine functional modules such as design terminology management system and external information import function according to the actual usage requirements. In the system design, the overall structure design, database design, and functional module design of the system are comprehensively elaborated, and the key issues such as 3D display and home layout generation algorithm based on reinforcement learning are analyzed and designed. In the implementation part of the system, the overall construction of the system and the composition of functional modules are introduced in detail and the main functional modules of the system are presented with interface diagrams. In the system implementation part, the overall system construction and functional module composition are introduced in detail, the main functional modules of the system are shown with interface diagrams, codes, and algorithms, and the specific implementation process of 3D display and soft layout algorithms are also explained in detail. The process of Surface Mount Technology (SMT) big data processing and analysis is designed, and the design of SMT production line data collection scheme and real-time data processing architecture is completed. Based on the characteristics of SMT production line data, the K-means algorithm is used to detect data outliers and verify the accuracy of the method; also, the Spark-based association rule printing parameter recommendation model is designed, and the efficiency of the Apriori algorithm is significantly improved by parallelization

Magnolol as a Protective Antioxidant Alleviates Rotenone-Induced Oxidative Stress and Liver Damage through MAPK/mTOR/Nrf2 in Broilers

This study aimed to investigate the protective effects and molecular mechanism of magnolol supplementation on rotenone-induced oxidative stress in broilers. Two hundred and eighty-eight old male AA broilers were randomly divided into four groups: the CON group: basic diet with sunflower oil injection; the ROT group: basic diet with 24 mg/kg BW rotenone; the MAG + ROT group: basic diet with 300 mg/kg magnolol and rotenone injection; and the MAG group: basic diet with 300 mg/kg magnolol and sunflower oil injection. At 21–27 days of age, the broilers in each group were intraperitoneally injected with rotenone (24 mg/kg BW) or the same volume of sunflower oil. The results showed that magnolol reversed the decrease in ADG post-injection and FBW via rotenone induction. Compared to the ROT group, MAG + ROT group enhanced the average daily gain post injection (p p p < 0.05). The hepatocyte apoptosis and the mRNA expression of apoptosis-related signaling pathway in the ROT group increased, but magnolol supplementation inhibited rotenone-induced apoptosis through the Nrf2 signaling pathway. Through RNA transcriptome analysis, there were 277 differential genes expressions (DEGs) among the CON group with ROT group, and 748 DEGs were found between the ROT group and the MAG + ROT group. KEGG pathway enrichment found that magnolol relieved rotenone-induced energy metabolism disorder and oxidative damage through signaling pathways such as MAPK and mTOR. In conclusion, magnolol attenuates rotenone-induced hepatic injury and oxidative stress of broilers, presumably by restoring hepatic antioxidant function via the MAPK/mTOR/Nrf2 signaling pathway

The Integrated Switching Control Strategy for Grid-Connected and Islanding Operation of Micro-Grid Inverters Based on a Virtual Synchronous Generator

In allusion to the virtual synchronous generator (VSG)-based voltage source inverters in micro-grids, an integrated control method combining a quasi-synchronization algorithm and an islanding detection algorithm is proposed to improve the power supply reliability and quality, which can simultaneously meet the operational requirements of both grid-connected mode (GCM) and off-grid mode (OGM), and the smooth switching between them. The quasi-synchronization algorithm of the micro-grid inverter is designed to realize a flexible grid connection. Moreover, for quickly detecting islanding phenomena, a novel islanding detection algorithm based on the VSG&rsquo;s inherent characteristics is put forward. Finally, the validity and availability of the proposed models and control strategies are comprehensively verified by simulation results based on Matlab/Simulink

The Impact of Spatial Distribution of Commercial Facilities in Communities on Residents’ Walking-Based Consumption Behavior: A Case Study in Wuhan, China

With the development of residential communities, commercial facilities serving the residents first emerged spontaneously inside of the communities and later were planned as a supporting component on the fringe but outside of the communities. Thus, two patterns in the distribution of commercial facilities can be found in their spatial relations to the communities they serve, namely, internal distribution and external fringe distribution. Previous debates on these two distribution patterns tend to focus more on the differences in community vitality, environmental quality, community security, etc., but less on the impact of spatial distribution of commercial facilities on residents&rsquo; walking-based consumption behavior which affects the quality of life of residents, their physical health, and their social interaction and communication. Therefore, the study conducts a quantitative, empirical, comparative study of the walking-based consumption behavior of residents in two communities, which are located across the street from one another, share similar conditions, but have totally different patterns in the distribution of commercial facilities. The results of analysis show that compared with residents living in a residential community with an external fringe distribution of commercial facilities, those who can access commercial facilities within their community have a shorter walking distance, stronger local consumption willingness, higher frequency, and shorter travel chain to use these facilities, resulting in distinctly different features in their respective walking-based consumption behavior in the communities. A further binary logistic regression analysis shows that the shorter travel distance by foot in a community with internal facilities is the root cause of the above differences, and travel distance significantly affects walking-based consumption behavior. This conclusion strongly supports the internal distribution of commercial facilities in residential communities, which bears practical significance for promoting the vitality and the robust development of communities

A quantum Monte Carlo study of systems with effective core potentials and node nonlinearities

International audienceWe study beryllium dihydride (BeH 2) and acetylene (C 2 H 2) molecules using real-space diffusion Monte Carlo (DMC) method. The molecules serve as perhaps the simplest prototypes that illustrate the difficulties with biases in the fixednode DMC calculations that might appear with the use of effective core potentials (ECPs) or other nonlocal operators. This is especially relevant for the recently introduced correlation consistent ECPs (ccECPs) for 2s2p elements. Corresponding ccECPs exhibit deeper potential functions due to higher fidelity to all-electron counterparts, which could lead to larger local energy fluctuations. We point out that the difficulties stem from issues that are straightforward to address by upgrades of basis sets, use of T-moves for nonlocal terms, inclusion of a few configurations into the trial function and similar. The resulting accuracy corresponds to the ccECP target (chemical accuracy) and it is in consistent agreement with independent correlated calculations. Further possibilities for upgrading the reliability of the DMC algorithm and considerations for better adapted and more robust Jastrow factors are discussed as well

Effects of Dietary Inclusion of β-Hydroxy-β-Methylbutyrate on Growth Performance, Fat Deposition, Bile Acid Metabolism, and Gut Microbiota Function in High-Fat and High-Cholesterol Diet-Challenged Layer Chickens

Excessive lipid deposition in layer chickens due to inappropriate feeding adversely affects egg production; however, nutritional manipulation methods to deal with this issue are still limited. β-hydroxy-β-methylbutyrate (HMB), a metabolite of L-leucine, was recently reported as a lipid-lowering nutrient in mice and pigs, although its role in layers had not been investigated. Here, we employed high-fat and high-cholesterol diet (HFHCD)−challenged growing layers as an obese model to explore HMB function in the regulation of lipid metabolism and the potential mechanisms involved. We found that dietary supplementation with (0.05% or 0.10%) HMB significantly reduced HFHCD−induced bodyweight growth in layers, mainly due to reduction in abdominal fat deposition. Mechanistically, HMB supplementation enhanced hepatic bile acid synthesis from cholesterol through elevating expression of Cyp7a1, a gene coding a key enzyme in bile acid synthesis. Furthermore, 16S rRNA gene sequencing revealed that HMB supplementation remodeled the diversity and composition of the layers’ cecal microbiota, and the abundance of Bacteroidetes at the phylum level were especially affected. Correlation analysis further indicated a strong negative association between Bacteroidetes abundance and lipid metabolism−related parameters. Taken together, these data suggest that dietary HMB supplementation could improve abdominal fat deposition in layers, probably through modulating hepatic bile acid synthesis and gut microbiota function