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Yusuf Zuntu Abdullahi,Tiem Leong Yoon,Mohd Mahadi Halim,Md. Roslan Hashim,Mohd. Zubir Mat Jafri,Lim Thong Leng 한국물리학회 2016 Current Applied Physics Vol.16 No.8
In this paper, geometric, electric and magnetic properties of graphitic heptazine with embedded Mn atom under bi-axial tensile strain are investigated using density-functional theory with the spin polarized generalized gradient approximation and Hubbard U correction. The binding energy computed for the systems are found to uniformly decrease with the increase in small bi-axial tensile strain (0e5%). The decrease of the binding energy can be related to the increase in the NeCeN bond angle within the cavity which tries to recover its sp2 hybridized bond. The projected density of states (PDOS) of strained/unstrained systems is also computed. It is found that the covalent bonding of the 6 nitrogen atoms located at the edge of the cavity and the embedded manganese atom in CN1 is mainly contributed by s, dzx and dz2 of the Mn atom, as well as the sp-like orbitals of these nitrogen atoms in the majority spin state respectively. Our calculations also predict enhanced band gap (0.67 eV at zero strain, 1.12 eV at 4% strain) induced by small amount of bi-axial tensile strain. The increase in band gap can be attributed to the structural distortions of the sheet caused by the symmetric deformations which lead to the backward shift in the s-like orbitals states of the CN1 atoms. Such properties may be desirable for diluted magnetic semiconductors, future spintronics, molecular magnet and nanoelectronics devices.
Samson, Damilola Oluwafemi,Shukri, Ahmad,Mat Jafri, Mohd Zubir,Hashim, Rokiah,Sulaiman, Othman,Aziz, Mohd Zahri Abdul,Yusof, Mohd Fahmi Mohd Korean Nuclear Society 2021 Nuclear Engineering and Technology Vol.53 No.1
In this work, Rhizophora spp. particleboard phantoms were made using SPI-based adhesives, modified with sodium hydroxide and itaconic acid polyamidoamine-epichlorohydrin (0, 5, 10, and 15 wt%). An X-ray computed tomography (CT) imaging system was used to ascertain the CT numbers and density distribution profiles of the particleboards. The SPI-based/NaOH/IA-PAE/Rhizophora spp. particleboard phantoms with 15 wt% IA-PAE addition level had the highest solid content, flexural strength, flexural modulus, and internal bonding strength of 36.06 ± 1.08%, 18.61 ± 0.38 Nmm<sup>-2</sup>, 7605.76 ± 0.89 Nmm<sup>-2</sup>, and 0.463 ± 0.053 Nmm<sup>-2</sup>, respectively. The moisture content, mass density, water absorption, and dimensional stability were 6.93 ± 0.27%, 0.962 ± 0.037 gcm<sup>-3</sup>, 22.36 ± 2.47%, and 10.90 ± 0.86%, respectively. The results revealed that the mass attenuation coefficients and effective atomic number values within the 16.59-25.26 keV photon energy region, were close to the calculated XCOM values in water, with a p-value of 0.077. Moreover, the CT images showed that the dissimilarities in the discrepancy of the profile density decreased as the IA-PAE concentrations increased. Therefore, these results support the appropriateness of the SPI-based/NaOH/IA-PAE/Rhizophora spp. particleboard with 15 wt% IA-PAE adhesive as a suitable tissue-equivalent phantom material for medical health applications.