A three-dimensional finite element model is used to investigate the vibrational properties of double-walled silicon carbide nano-cones with various dimensions. The dependence of the vibrational properties of double-walled silicon carbide nano-cones on their length, apex angles and boundary conditions are evaluated. Current model consists a combination of beam and spring elements that simulates the interatomic interactions of bonding and nonbonding. The Lennard-Jones potential is employed to model the interactions between two non-bonding atoms. The fundamental frequency and mode shape of the double-walled silicon carbide nano-cones are calculated.
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http://dx.doi.org/10.1038/s41598-024-55536-1 | DOI Listing |
Angew Chem Int Ed Engl
December 2024
State Key Laboratory of Silicon and Advanced Semiconductor Materials School of Materials Science and Engineering, Zhejiang University, Hangzhou, 310027, China.
Development of highly porous and robust hydrogen-bonded organic frameworks (HOFs) for high-pressure methane and hydrogen storage remains a grand challenge due to the fragile nature of hydrogen bonds. Herein, we report a strategy of constructing the double-walled framework to target highly porous and robust HOF (ZJU-HOF-5a) for extraordinary CH and H storage. ZJU-HOF-5a features a minimized twofold interpenetration with double-walled structure, in which multiple supramolecular interactions are existed between the interpenetrated walls.
View Article and Find Full Text PDFSmall
September 2024
State Key Laboratory Breeding Base of Green Chemistry-Synthesis Technology, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou, 310014, P. R. China.
Micrometer-sized Si particles are beneficial to practical lithium-ion batteries in regard to low cost and high volumetric energy density in comparison with nanostructured Si anodes. However, both the issues of electrical contact loss and overgrowth of solid electrolyte interface for microscale Si induced by colossal volume change still remain to be addressed. Herein, a scalable and template-free method is introduced to fabricate yolk-shell structured Si anode from commercially available Si microparticles.
View Article and Find Full Text PDFSci Rep
March 2024
Faculty of Mechanical Engineering, University of Guilan, P.O. Box 3756, Rasht, Iran.
A three-dimensional finite element model is used to investigate the vibrational properties of double-walled silicon carbide nano-cones with various dimensions. The dependence of the vibrational properties of double-walled silicon carbide nano-cones on their length, apex angles and boundary conditions are evaluated. Current model consists a combination of beam and spring elements that simulates the interatomic interactions of bonding and nonbonding.
View Article and Find Full Text PDFAdv Sci (Weinh)
January 2022
Department of Physics, University of California at Berkeley, Berkeley, CA, 94720, USA.
Studying two-dimensional (2D) van der Waals (vdW) moiré superlattices and their interlayer interactions have received surging attention after recent discoveries of many new phases of matter that are highly tunable. Different atomistic registry between layers forming the inner and outer nanotubes can also form one-dimensional (1D) vdW moiré superlattices. In this review, experimental observations and theoretical perspectives related to interlayer interactions in 1D vdW moiré superlattices are summarized.
View Article and Find Full Text PDFJ Mol Model
July 2021
Université de Lorraine, CentraleSupélec, LMOPS, F-57000, Metz, France.
Herein, we utilized molecular dynamic (MD) simulations using LAMMPS software and selecting Tersoff and Lennard-Jones potentials to design and investigate mechanical properties of (8,8), (9,9), (10,10), and (11,11) single-walled and (8,8)@(11,11) double-walled silicon-germanium (SiGe) armchair nanopeapods. The number of encapsulated fullerenes and the working temperature were changed as variables to evaluate the mechanical properties. The larger nanopeapods had lower Young's modulus and failure strain, but, surprisingly enough, no significant variation was found in failure strain values by increasing the number of SiGe cages and the temperature (300-900 K).
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