Effect of Ni Doping on the Embrittlement of Liquid Zinc at Σ5 Fe Austenite Grain Boundary

In this study, first-principles computational tensile tests have been performed for the Σ5 symmetrically tilted grain boundaries of the face-centered cubic (fcc) Fe to investigate the effects of Zn and Zn-Ni doping on the boundary energy and electronic structure. The obtained results indicate that the mismatch between the sizes of Zn and Fe atoms at the Zn-doped grain boundary causes its expansion, which increases the lengths of Fe-Fe bonds, leading to their weakening, and reduces the overall boundary strength. After the Zn doping of the Fe grain boundary, Zn atoms form covalent bonds with Fe atoms, that decreases the charge density of Fe-Fe bonds and their strength. Meanwhile, the strength of the newly formed Fe-Zn covalent bonds oriented at a certain angle with respect to the grain boundary direction is very low. The breakage of Fe-Fe bonds that occurs under tensile loading rapidly decreases the boundary strength. Finally, after the Zn-Ni co-doping of the Fe grain boundary, Ni atoms form metallic bonds with Fe atoms, thus increasing both the charge density of Fe-Fe bonds (as compared with that of the Fe-Fe bonds at the Zn-doped grain boundary).

Personality meta–traits and time-based work–family conflict: the mediating role of work–home boundaries

Purpose This study aims to examine the complex relationship between the personality meta-traits of stability and plasticity and time-based work–family conflict (WFC). Stability and plasticity are hypothesized to influence WFC directly and indirectly, via boundary strength at work (BSW) and boundary strength at home (BSH) domains. WFC has two dimensions – conflict due to family interfering in work (FIW) and conflict due to work interfering in family (WIF). Design/methodology/approach Data was collected from 419 full-time employees in multiple US companies. Hypotheses were tested using structural equation modeling. Findings Stability was associated with lower levels of WFC and stronger boundaries around the work and home domains. BSW mediated the relationship between stability and FIW; BSH mediated the relationship between stability and WIF. plasticity was associated with weaker boundaries around the work and home domains. BSW and BSH had a negative relationship with FIW and WIF, respectively. Research limitations/implications The study is cross-sectional and limited to time-based work–family conflict. The results support the adoption of a more agentic view of personality in the boundary setting and WFC literatures. Practical implications Employers need to design flexible work programs that offer employees control over work–home boundary strength. Originality/value The study links stability and plasticity to WFC. It expands the nomological network of work–home boundaries.

TAD boundary and strength prediction by integrating sequence and epigenetic profile information

Topologically associated domains (TADs) are one of the important higher order chromatin structures with various sizes in the eukaryotic genomes. TAD boundaries, as the flanking regions between adjacent domains, can restrict the interactions of regulatory elements, including enhancers and promoters, and are generally dynamic and variable in different cells. However, the influence of sequence and epigenetic profile-based features in the identification of TAD boundaries is largely unknown. In this work, we proposed a method called pTADS (prediction of TAD boundary and strength), to predict TAD boundaries and boundary strength across multiple cell lines with DNA sequence and epigenetic profile information. The performance was assessed in seven cell lines and three TAD calling methods. The results demonstrate that the TAD boundary can be well predicted by the selected shared features across multiple cell lines. Especially, the model can be transferable to predict the TAD boundary from one cell line to other cell lines. The boundary strength can be characterized by boundary score with good performance. The predicted TAD boundary and TAD boundary strength are further confirmed by three Hi-C contact matrix-based methods across multiple cell lines. The codes and datasets are available at https://github.com/chrom3DEpi/pTADS.