Effects of paramagnetic fluctuations on the thermochemistry of MnO (100) surfaces in the oxygen evolution reaction

We investigated the effects of paramagnetic (PM) fluctuations on the thermochemistry of the MnO(100) surface in the oxygen evolution reaction (OER) using the "noncollinear magnetic sampling method \textit{plus} $U$" (NCMSM$+U$). Various physical properties, such as the electronic structure, free energy, and charge occupation, of the MnO (100) surface in the PM state with several OER intermediates, were reckoned and compared to those in the antiferromagnetic (AFM) state. We found that PM fluctuation enhances charge transfer from a surface Mn ion to each of the intermediates and strengthens the chemical bond between them, while not altering the overall features, such as the rate determining step and resting state, in reaction pathways. The enhanced charge transfer can be attributed to the delocalized nature of valence bands observed in the PM surface. In addition, it was observed that chemical-bond enhancement depends on the intermediates, resulting in significant deviations in reaction energy barriers. Our study suggests that PM fluctuations play a significant role in the thermochemistry of chemical reactions occurring on correlated oxide surfaces.Comment: Maintext: 15 pages, 3 figures 2 tables; SI: 3 pages, 2 figure

Control of Impurity Phase Segregation in a PdCrO2_2/CuCrO2_2 Heterostructure

PdCrO$_2$ films are synthesized on CuCrO$_2$ buffer layers on Al$_2$O$_3$ substrates. This synthesis is accompanied by impurity phase segregation, which hampers the synthesis of high quality PdCrO$_2$ films. The potential causes of impurity phase segregation were studied by using a combination of experiments and ab initio calculations. X-ray diffraction and scanning transmission electron microscopy experiments revealed impurity phases of Cu$_x$Pd$_{1-x}$ alloy and chromium oxides, Cr$_2$O$_3$ and Cr$_3$O$_4$, in PdCrO$_2$. Calculations determined that oxygen deficiency can cause the impurity phase segregation. Therefore, preventing oxygen release from delafossites could suppress the impurity phase segregation. The amounts of Cr$_2$O$_3$ and Cr$_3$O$_4$ depend differently on temperature and oxygen partial pressure. A reasonable theory-based explanation for this experimental observation is provided

Testing Thornberry's interactional theory: the reciprocal relations

Thornberry's interactional model (1987) suggested that the process of delinquency could be explained by the reciprocal relations between social control variables and social learning variables over developmental stages. However, previous studies for testing interactional model (Thornberry et al., 1991, 1994) had some limitations. They did not adequately include theoretically significant measures of both social control and social learning variables. They did not fully cover the transition throughout adolescence. They also did not adequately examine the variation of social category and individual criminal propensity. This study selects family attachment as social control and deviant peer association as social learning variable. This study tests the reciprocal relationships among family attachment, delinquent peers, and delinquency across the full adolescence and early adulthood. In addition, this study hypothesizes that causal processes vary by gender and the early and late onset group. Data to test for these hypotheses are from 1977, 1980, 1983, and 1987 of the National Youth Survey. This study found that deviant peer association is more reciprocally related to delinquency than family attachment. The findings also suggest that gender and criminal propensity are important to determine deviant behavior processes. The effect of family attachment on delinquency is stronger for females than males. The effect of deviant peers on delinquency is stronger for males than females. Female delinquency has stronger negative effect on family relations than male delinquency. The early onset group has more stable levels of delinquency than the late onset group. The delinquency of the early onset group is primarily influenced by family attachment and deviant peers and their relationships are reciprocal, whereas the delinquency of late starters is mainly influenced by deviant peers and their relationships are unidirectional. This study suggests that delinquent processes vary by age, gender and different types of offending.</p

Evaluation of Structural Performance of Post-Installed Anchors Embedded in Cracked Concrete in Power Plant Facilities

In this study, a field survey was conducted on the fixed anchorages of the operation and power generation facilities installed in domestic power plants. A static/dynamic performance evaluation was conducted to present safety evaluation guidelines that meet the domestic seismic performance requirements. Seismic performance tests were performed on the post-installed set anchors M10 and M12, which are mainly used for anchorages in accordance with the US and European seismic performance standards. The dynamic shear test results showed that the M12 anchor met the seismic performance verification criterion, whereas the M10 anchor did not because its dynamic performance was reduced, owing to the cyclic loading. In the results of the dynamic pull-out test, M12 also met the seismic performance verification criterion, whereas M10 was safe only in a non-cracked state. In summary, the seismic performance of M12 in both cracks and non-cracks was satisfied, but, in the case of M10, the results were not satisfied in cracks. This was an experimental study; it will be necessary to conduct additional analytical research in the future to verify the reliability and parameters of the experiment

Closing in on Mechanisms of Open Neural Tube Defects

Neural tube defects (NTDs) represent a failure of the neural plate to complete the developmental transition to a neural tube. NTDs are the most common birth anomaly of the CNS. Following mandatory folic acid fortification of dietary grains, a dramatic reduction in the incidence of NTDs was observed in areas where the policy was implemented, yet the genetic drivers of NTDs in humans, and the mechanisms by which folic acid prevents disease, remain disputed. Here, we discuss current understanding of human NTD genetics, recent advances regarding potential mechanisms by which folic acid might modify risk through effects on the epigenome and transcriptome, and new approaches to study refined phenotypes for a greater appreciation of the developmental and genetic causes of NTDs