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The kinetic origin of grain boundary migration, grain coalescence, and defect reduction in the crystallization of quenched two-dimensional Yukawa liquids are numerically investigated. It is found that, in grain coalescence, stick-slip cracking the region in front of the grain boundary into smaller subgrains corotating with small angle, followed by healing, is the key for aligning lattice misorientation and inducing grain boundary stick-slip advance. Cracking is initiated from the weakly interlocked dislocation along its Burgers vector, which in turn causes dislocation motion along the crack. The cascaded scattering and recombination of two dislocations with 60^{∘} and 120^{∘} Burgers vector angle difference into two and one dislocations are the major processes for dislocation motion and reduction, respectively, in grain boundary migration. A rough grain boundary with large curvature easily supports the above process and induces high grain boundary mobility. Along a straight smooth grain boundary, the parallel Burgers vectors of the string of dislocations hinder defect reduction and induce coalescence stagnation.
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http://dx.doi.org/10.1103/PhysRevE.90.050401 | DOI Listing |
ACS Appl Mater Interfaces
September 2025
School of Materials Science and Engineering, Beihang University, Beijing 100191, P. R. China.
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View Article and Find Full Text PDFRSC Adv
August 2025
University of Coimbra, CFisUC, Physics Department Rua Larga P-3004-516 Coimbra Portugal
Nanoscale materials are attracting a great deal of attention due to their exceptional properties, making them indispensable for many advanced applications. Among these materials, spinel ferrites stand out for their potential applications in electronic, optoelectronic, energy storage and other devices. This is why the development of a synthesis process combined with rigorous optimization of annealing conditions is provided to be an essential approach to control nanoparticle formation and fine-tuning their structural, morphological and functional characteristics.
View Article and Find Full Text PDFMater Horiz
September 2025
Department of Chemistry, Temple University, Philadelphia, PA 19122, USA.
This work presents the synthesis of a molecular crystal of adiponitrile (Adpn) and LiI a simple melting method. The molecular crystal has both Li and I channels and can be either a Li or an I conductor. In the stoichiometric crystal (Adpn)LiI, the Li ions interact only with four CN groups of Adpn, while the I ions are uncoordinated.
View Article and Find Full Text PDFACS Appl Mater Interfaces
September 2025
Institute of Nuclear and New Energy Technology, Collaborative Innovation Center of Advanced Nuclear Energy Technology, Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of Education, Tsinghua University, Beijing 100084, China.
Silicon carbide (SiC) has attracted considerable interest for use in electronics, aerospace, and nuclear energy applications owing to its excellent electrical and mechanical properties. In the nuclear industry, SiC serves as an effective tritium permeation barrier. However, a significant discrepancy remains between the experimentally measured diffusion coefficients and the theoretical predictions.
View Article and Find Full Text PDFInorg Chem
September 2025
Área Química Inorgánica, Departamento Estrella Campos, Facultad de Química, Universidad de la República, 11800 Montevideo, Uruguay.
Isostructural metal-organic frameworks (MOFs) built from oxidiacetate, oda, [LaCo(oda)(HO)]·14HO (), [PrCo(oda)(HO)]·14HO (), and [LaNi(oda)(HO)]·14HO () were synthesized and characterized to investigate their proton conduction properties. The presence of a hydrogen-bonding network formed by guest water molecules within the MOF channels was evidenced through crystallographic analysis and computational simulations. Powder conductivity measurements revealed a Grotthuss-type proton transport mechanism with consistent activation energies across all three compounds, but grain boundary effects limited overall performance.
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