Search results for "Graph"
showing 10 items of 55700 documents
First-principles studies of Ni–Ta intermetallic compounds
2012
National Natural Science Foundation of China [51131002, 50772018]; Program for New Century Excellent Talents in Universities of China [NCET-07-0139]; NSERC; CRC
Effects of water removal on the structure and spin-crossover in an anilato-based compound
2021
The crucial role played by a crystallization water molecule in the spin crossover (SCO) temperature and its hysteresis is described and discussed in compound [NBu4][Fe(bpp)2][Cr(C6O4Br2)3]⋅2.5H2O (1), where bpp = 2,6-bis(pyrazol-3-yl)pyridine and (C6O4Br2)2− = dianion of the 3,6-dibromo-2,5-dihydroxy-1,4-benzoquinone. The compound has isolated [Fe(bpp)2]2+ cations surrounded by chiral [Cr(C6O4Br2)3]3− anions, NBu4+ cations, and a water molecule H-bonded to one of the non-coordinated N–H groups of one bpp ligand. This complex shows a gradual almost complete two-step spin transition centered at ca. 180 and 100 K with no hysteresis. The loss of the water molecules results in a phase transition…
Controlled Cytotoxicity of Plasma Treated Water Formulated By Open-air Hybrid Mode Discharge
2017
Plasma‐activated liquids (PAL) attract increasing interest with demonstrated biological effects. Plasma exposure in air produces stable aqueous reactive species which can serve as chemical diagnostics of PAL systems. Here, we tailor aqueous reactive species inside plasma‐activated water (PAW) through treating water with AC air spark and glow discharges in contact with water. Chemical probing demonstrated species specificity between two types of PAW. Spark discharge PAW contains urn:x-wiley:14381656:media:ppap201600207:ppap201600207-math-0006 and urn:x-wiley:14381656:media:ppap201600207:ppap201600207-math-0007, while urn:x-wiley:14381656:media:ppap201600207:ppap201600207-math-0008and urn:x-w…
Online Management of Hybrid DRAM-NVMM Memory for HPC
2019
Non-volatile main memories (NVMMs) offer a comparable performance to DRAM, while requiring lower static power consumption and enabling higher densities. NVMM therefore can provide opportunities for improving both energy efficiency and costs of main memory. Previous hybrid main memory management approaches for HPC either do not consider the unique characteristics of NVMMs, depend on high profiling costs, or need source code modifications. In this paper, we investigate HPC applications' behaviors in the presence of NVMM as part of the main memory. By performing a comprehensive study of HPC applications and based on several key observations, we propose an online hybrid memory architecture for …
Luminescence of polymorphous SiO2
2016
Abstract The luminescence of self-trapped exciton (STE) was found and systematically studied in tetrahedron structured silica crystals (α-quartz, coesite, cristobalite) and glass. In octahedron structured stishovite only host material defect luminescence was observed. It strongly resembles luminescence of oxygen deficient silica glass and γ or neutron irradiated α-quartz. The energetic yield of STE luminescence for α-quartz and coesite is about 20% of absorbed energy and about 5(7)% for cristobalite. Two types of STE were found in α-quartz. Two overlapping bands of STEs are located at 2.5–2.7 eV. The model of STE is proposed as Si–O bond rupture, relaxation of created non-bridging oxygen (N…
A graphene-based neutral particle detector
2019
A neutral particle detector is presented, in which the traditionally used target material, indium tin oxide (ITO), is replaced by graphene. The graphene-based detector enables collinear photodetachment measurements at a significantly shorter wavelength of light down to 230 nm compared to ITO-based detectors, which are limited at 335 nm. Moreover, the background signal from the photoelectric effect is drastically reduced when using graphene. The graphene based detector, reaching 1.7 eV further into the UV energy range, allows increased possibilities for photodetachment studies of negatively charged atoms, molecules, and clusters.A neutral particle detector is presented, in which the traditio…
Spectroscopic study of the electric field induced valence change of Fe-defect centers in SrTiO(3)
2011
The electrochemical changes induced by an electric field in Fe-doped SrTiO(3) have been investigated by X-ray absorption spectroscopy (XANES and EXAFS), electron paramagnetic resonance (EPR) and Raman spectroscopy. A detailed study of the Fe dopant in the regions around the anode and cathode reveals new insights into the local structure and valence state of Fe in SrTiO(3) single crystals. The ab initio full multiple-scattering XANES calculations give an evidence of the oxygen vacancy presence in the first coordination shell of iron. Differences in the length and disorder of the Fe-O bonds as extracted from EXAFS are correlated to the unequivocal identification of the defect type by compleme…
Tetrahedral versus octahedral Mn site coordination in wurtzite and rocksalt Zn1−xMnxO investigated by means of XAS experiments under high pressure
2007
Abstract We present the results of x-ray absorption measurements carried out in Zn 1− x Mn x O thin films under high pressure. The Mn environment remains essentially the same for nominal Mn concentrations given by x = 0.05 , 0.1, 0.15 and 0.25. Both the XANES (X-ray Absorption Near Edge Structure) and EXAFS (Extended X-ray Absorption Fine Structure) indicate that Mn occupies the Zn site, being surrounded by four oxygen atoms at 2.02±0.01 A. The substitutional hypothesis is reinforced by comparing the differences between the ambient (wurtzite) and high pressure (rocksalt) spectra, which correspond to tetrahedral and octahedral Mn environments.
Composition dependence ofSi1−xGexsputter yield
2005
Sputtering yields have been measured for unstrained ${\mathrm{Si}}_{1\ensuremath{-}x}{\mathrm{Ge}}_{x}$ $(x=0--1)$ alloys when bombarded with ${\mathrm{Ar}}^{+}$ ions within the linear cascade regime. Nonlinear S-shape dependence of the sputter yield as a function of the alloy composition has been revealed. The dependence is analyzed within the frameworks of the cascade theory conventionally accepted to be the most systematic to date theoretical approach in sputtering. In view of a linear composition dependence predicted for the sputter yield by the cascade theory adapted for polyatomic substrates, the nonlinearity observed in our experiments is shown to be related to the alloying effect on…
Normal and relaxor ferroelectric behavior in the Ba1−xPbx(Ti1−yZry)O3 solid solutions
2017
Abstract Polycrystalline samples of Ba 1−x Pb x (Ti 1−y Zr y )O 3 (BPTZ) with x = 0.025 & 0.1 and 0.10 ≤ y ≤ 0.50 have been synthesized by high-temperature solid-state reaction technique. X-ray diffraction reveals the formation of single phase with tetragonal or cubic structure. Dielectric investigations were carried out in the temperature range from 80 to 445 K with frequencies range from 10 2 to 10 6 Hz. A broad dielectric anomaly coupled with the shift of dielectric maxima toward a higher temperature with increasing frequency indicates either a diffuse phase transition or relaxor behavior in some of these ceramics. Whatever lead content, when zirconium is substituted by titanium, T C an…