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Theoretical Investigation: 2D N-Graphdiyne Nanosheets as Promising Anode Materials for Li/Na Rechargeable Storage Devices
Meysam Makaremi, Bohayra Mortazavi, Timon Rabczuk +2
N-graphdiyne monolayers, a set of carbon-nitride nanosheets, have been synthesized recently through the polymerization of triazine- and pyrazine-based monomers. Since the two-dimen…
First-principles investigation of Ag-, Co-, Cr-, Cu-, Fe-, Mn-, Ni-, Pd- and Rh-hexaaminobenzene 2D metal-organic frameworks
Bohayra Mortazavi, Masoud Shahrokhi, Meysam Makaremi +2
In the latest experimental advances, Ni-, Co- and Cu-HAB MOFs were synthesized in 2D forms, with high electrical conductivities and capacitances as well. Motivated by these experim…
Dual-support smoothed particle hydrodynamics in solid: variational principle and implicit formulation
Huilong Ren, Xiaoying Zhuang, Timon Rabczuk +1
In this paper, we derive the dual-support smoothed particle hydrodynamics (DS-SPH) in solid in the framework of variational principle. The tangent stiffness matrix of SPH is obtain…
A nonlocal operator method for solving partial differential equations
Huilong Ren, Xiaoying Zhuang, Timon Rabczuk
We propose a nonlocal operator method for solving partial differential equations (PDEs). The nonlocal operator is derived from the Taylor series expansion of the unknown field, and…
N-, P-, As-triphenylene-graphdiyne: Strong and stable 2D semiconductors with outstanding capacities as anodes for Li-ion batteries
Bohayra Mortazavi, Masoud Shahrokhi, Mohamed E. Madjet +3
Since the first report of graphdiyne nanomembranes synthesis in 2010, different novel graphdiyne nanosheets have been fabricated. In a latest experimental advance, triphenylene-gra…
A Virtual Element Method for 2D linear elastic fracture analysis
Vien Minh Nguyen-Thanh, Xiaoying Zhuang, Hung Nguyen-Xuan +2
This paper presents the Virtual Element Method (VEM) for the modeling of crack propagation in 2D within the context of linear elastic fracture mechanics (LEFM). By exploiting the a…