Material anisotropy caused by crystal orientation is an essential factor affecting the mechanical and fracture properties of crystal materials. This paper proposes an improved ordinary state-based peridynamic (OSB-PD) model to study the effect of arbitrary crystal orientation on the granular fracture in cubic crystals. Based on the periodicity of the equivalent elastic modulus of a cubic crystal, a periodic function regarding the crystal orientation is introduced into peridynamic material parameters, and a complete derivation process and expressions of correction factors are given. In addition, the derived parameters do not require additional coordinate transformation, simplifying the simulation process. Through convergence analysis, a regulating strategy to obtain the converged and accurate results of crack propagation paths is proposed. The effects of crystal orientations on crack initiation and propagation paths of single-crystal materials with different notch shapes (square, equilateral triangle, semi-circle) and sizes were studied. The results show that variations in crystal orientation can change the bifurcation, the number, and the propagation path direction of cracks. Under biaxial tensile loading, single crystals with semi-circular notches have the slowest crack initiation time and average propagation speed in most cases and are more resistant to fracture. Finally, the effects of grain anisotropy on dynamic fractures in polycrystalline materials under different grain boundary coefficients were studied. The decrease in grain anisotropy degree can reduce the microcracks in intergranular fracture and the crack propagation speed in transgranular fracture, respectively.
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http://dx.doi.org/10.3390/ma17133196 | DOI Listing |
Nanomaterials (Basel)
December 2024
School of Physics and Information Technology, Shaanxi Normal University, Xi'an 710062, China.
During the preparation of single-domain (S-D) REBaCuO (RE-123) superconducting bulks, the seed crystals can serve as templates for crystal growth, guiding the newly formed crystals to grow in a specific direction, thereby ensuring the consistency of the crystal orientation within the sample. However, the infiltration temperature is typically restricted to approximately 1050 °C when employing NdBaCuO (Nd-123) crystal seeds in the traditional top-seeded infiltration growth (TSIG) technique for producing single-domain Y-123 bulk superconductors. In the present study, to overcome the temperature limitations of the heat treatment process, the optimized YO +011 IG (011 refers to BaCuO powder) method was employed to fabricate a group of single-domain Y-123 bulks with a high-temperature infiltration (1000-1300 °C).
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
Kemerovo State University, Krasnaya 6, Kemerovo, 650000, Russia.
The compressibility of crystalline tetrabromophthalic anhydride (TBPA) and 1-ethyl-3-methylimidazolium nitrate (EMN) was studied based on density functional theory including dispersion interactions at pressures below 1 GPa. It is found for the first time that EMN demonstrates negative linear compressibility (NLC) up to ∼0.15 GPa, whereas TBPA shows significant NLC at pressures higher than ∼0.
View Article and Find Full Text PDFNature
January 2025
Department of Materials Engineering, Indian Institute of Science, Bangalore, India.
Piezoelectric materials directly convert between electrical and mechanical energies. They are used as transducers in applications such as nano-positioning and ultrasound imaging. Improving the properties of these devices requires piezoelectric materials capable of delivering a large longitudinal strain on the application of an electric field.
View Article and Find Full Text PDFNat Chem
January 2025
Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA, USA.
Atomically precise nanoclusters can be assembled into ordered superlattices with unique electronic, magnetic, optical and catalytic properties. The co-crystallization of nanoclusters with functional organic molecules provides opportunities to access an even wider range of structures and properties, but can be challenging to control synthetically. Here we introduce a supramolecular approach to direct the assembly of atomically precise silver nanoclusters into a series of nanocluster‒organic ionic co-crystals with tunable structures and properties.
View Article and Find Full Text PDFChem Asian J
January 2025
Ritsumeikan University, Department of Applied Chemistry, College of Life Sciences, 1-1-1 Nojihigashi, 525-8577, Kusatsu, JAPAN.
In this study, anion-responsive π-conjugated macrocycles were synthesized to demonstrate anion-binding and ion-pairing properties along with the ordered structures. Ion-pairing charge-by-charge assembly of a [1+2]-type complex of a macrocycle as a pseudo π-electronic anion and a countercation was revealed by single-crystal X-ray analysis. Further, two-dimensional (2D) arrays of the macrocycles bearing alkoxy chains, exhibiting anion-driven disordered structures, were constructed on a highly oriented pyrolytic graphite (HOPG) substrate as observed by scanning tunneling microscopy (STM).
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