• Journal of the Mineralogical Society of Korea
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• v.23 no.4
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• pp.403-411
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• 2010

Essentials of understanding the geochemical evolution and geophysical processes in Earth's system are macroscopic properties and atomistic (and electronic) structures of Earth materials. Recent advances in quantum calculations based on the density functional theory allow us to unveil the previously unknown details of local atomic structures in diverse silicates in Earth's interior. Here, we report the O K-edge ELNES (energy-loss near-edge structure; ELNES) spectra and PLDOS (partial local density of states) for oxygen atoms in ${\alpha}$-quartz and stishovite using the quantum calculations based on FP-LAPW (full potential linearized augmented plane wave). The calculated O K-edge ELNES spectrum of ${\alpha}$-quartz shows a strong peak at ~538 eV due to comer-sharing oxygen linking two $SiO_4$ tetrahedra and that for stishovite shows two distinct peaks at ~537 and ~543 eV corresponding to edge-sharing oxygen linking $SiO_6$ octahedra. The significant differences in spectral features of O K-edge ELNES spectra suggest that the O K-edge features can be useful indicator to distinguish various oxygen sites in diverse crystal and amorphous silicates in the Earth's interior.

• Journal of the Mineralogical Society of Korea
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• v.27 no.1
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• pp.1-15
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• 2014

Probing the electronic structures of crystalline Mg-silicates at high pressure is essential for understanding the various macroscopic properties of mantle materials in Earth's interior. Quantum chemical calculations based on the density functional theory are used to explore the atomic configuration and electronic structures of Earth materials at high pressure. Here, we calculate the partial density of states (PDOS) and O K-edge energy-loss near-edge structure (ELNES) spectra for $MgSiO_3$ perovskite at 25 GPa and 120 GPa using the WIEN2k program based on the full-potential linearized projected augmented wave (FP-LPAW) method. The calculated PDOS and O K-edge ELNES spectra for $MgSiO_3$ Pv show significant pressure-induced changes in their characteristic spectral features and relative peak intensity. These changes in spectral features of $MgSiO_3$ Pv indicate that the pressure-induced changes in local atomic configuration around O atoms such as Si-O, O-O, and Mg-O length can induce the significant changes on the local electronic structures around O atoms. The result also indicates that the significant changes in O K-edge features can results from the topological densification at constant Si coordination number. This study can provide a unique opportunity to understand the atomistic origins of pressure-induced changes in local electronic structures of crystalline and amorphous $MgSiO_3$ at high pressure more systematically.

• KSII Transactions on Internet and Information Systems (TIIS)
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• v.10 no.3
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• pp.950-975
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• 2016

Device-to-Device (D2D) communication underlaying cellular networks is a promising add-on component for future radio communication systems. It provides more access opportunities for local device pairs and enhances system throughput (ST), especially when mobile relays (MR) are further enabled to facilitate D2D links when the channel condition of their desired links is unfavorable. However, mutual interference is inevitable due to spectral reuse, and moreover, selecting a suitable transmission mode to benefit the correlated resource allocation (RA) is another difficult problem. We aim to optimize ST of the hybrid system via joint consideration of mode selection (MS) and RA, which includes admission control (AC), power control (PC), channel assignment (CA) and relay selection (RS). However, the original problem is generally NP-hard; therefore, we decompose it into two parts where a hierarchical structure exists: (i) PC is mode-dependent, but its optimality can be perfectly addressed for any given mode with additional AC design to achieve individual quality-of-service requirements. (ii) Based on that optimality, the joint design of MS, CA and RS can be viewed from the graph perspective and transferred into the maximum weighted independent set problem, which is then approximated by our greedy algorithm in polynomial-time. Thanks to the numerical results, we elucidate the efficacy of our mechanism and observe a resulting gain in MR-aided D2D communication.