The effect of disorder on electronic and magnetic properties of quaternary Heusler alloy CoFeMnSi with LiMgPbSb-type structure

International Nuclear Information System (INIS)

Feng, Yu; Chen, Hong; Yuan, Hongkuan; Zhou, Ying; Chen, Xiaorui

2015-01-01

Thin films based on Heusler alloy often lost their theoretical predicted ultra-high spin polarization owing to the appearance of disorder. Using the first-principles calculations within density functional theory (DFT), we investigate the effect of disorder including antisite and swap on electronic and magnetic properties of quaternary Heusler alloy CoFeMnSi with LiMgPbSb-type structure. Twelve kinds of antisites and six kinds of swap disorders are proposed and studied comprehensively. In our calculations, Co(Fe)-, Mn(Fe)-, Si(Mn)-antisite and Co–Fe swap disorders are most favorable due to their lowest formation energies. Moreover, the positive binding energies of Co–Fe, Co–Si, Fe–Si and Mn–Si swap disorders with respect to their corresponding antisite disorders indicate that these complex swap disorders are more stable compared with their corresponding isolated antisite disorders. The investigations on density of states (DOS) show that the spin down energy gap of disordered structures suffers contraction and their DOS entirely move towards lower zone. Besides, the 100% spin polarization is maintained in all structures with antisite and swap disorders except for those with Co(Mn)-, Co(Si)-antisite and Co–Mn, Co–Si swap disorders. Therefore, the half-metallicity of quaternary Heusler alloy CoFeMnSi is quite robust against interfering effects such as Si(Mn), Co(Fe) and Co–Fe disorders most possibly formed in the growth. - Highlights: • CoFeMnSi with LiMgPbSb-type structure is found to be a half-metallic ferromagnet. • Si(Mn), Co(Fe), Mn(Fe) antisites and Co–Fe swap disorders are most likely to form. • The half-metallicity of CoFeMnSi is robust against the most possible disorders. • The magnetic moments of the most possible disorders follow the Pauli-Slater rule

Synthesis of ceramic powders of La9,56 (SiO4)6O2,34 and La9,8Si5,7MgO,3O26,4 by modified sol-gel process

International Nuclear Information System (INIS)

Lira, Sabrina Lopes; Paiva, Mayara Rafaela Soares; Misso, Agatha Matos; Elias, Daniel Ricco; Yamagata, Chieko

2012-01-01

Lanthanum silicate oxyapatite materials are promising for application as electrolyte in solid oxide fuel cells because of high ionic conductivity at temperatures between 600 deg C and 800 deg C. In this work, oxyapatites with the composition La 9,56 (SiO 4 ) 6 O 2,34 , and La 9,8 Si 5,7 Mg 0,3 O 26,4 were synthesized by using the sol-gel method, followed by precipitation. Initially, the gel of silica was synthesized from sodium silicate solution, by acid catalysis using lanthanum and magnesium chloride solution. Then, the La and Mg hydroxides were precipitated with NaOH in the gel. The powders were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and measurements of specific surface area. The crystalline oxyapatite phase of La 9,56 (SiO 4 ) 6 O 2,34 , and was La 9,8 Si 5,7 Mg 0,3 O 26,4 obtained by calcination at 900 deg C for 2 and 1h respectively (author)

Crystal structure of the Hg4SiS6 and Hg4SiSe6 compounds

International Nuclear Information System (INIS)

Gulay, L.D.; Olekseyuk, I.D.; Parasyuk, O.V.

2002-01-01

The crystal structures of Hg 4 SiS 6 and Hg 4 SiSe 6 compounds were investigated using X-ray powder diffraction. These compounds crystallize in the monoclinic Cc space group with the lattice parameters a=1.23020(5), b=0.71031(4), c=1.22791(4) nm, β=109.721(3) deg. for Hg 4 SiS 6 and a=1.28110(4), b=0.74034(4), c=1.27471(1) nm, β=109.605(3) deg. for Hg 4 SiSe 6 . Atomic parameters were refined in the isotropic approximation (R I =0.0571 and R I =0.0555 for the Hg 4 SiS 6 and Hg 4 SiSe 6 , respectively)

Structure and physical properties of Cr{sub 5}B{sub 3}-type Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Yuan, Fang; Forbes, Scott [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4M1 (Canada); Ramachandran, Krishna Kumar [Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2 (Canada); Mozharivskyj, Yurij, E-mail: mozhar@mcmaster.ca [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4M1 (Canada)

2015-11-25

The Cr{sub 5}B{sub 3}-type Ta{sub 5}Si{sub 3} phase was prepared by arc-melting, while the Cr{sub 5}B{sub 3}-type Ta{sub 5}Ge{sub 3} one was synthesized through sintering at 1000 °C. X-ray single crystal diffraction was employed to elucidate their structure. According to the magnetization measurements, both Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3} are Pauli paramagnets, with Ta{sub 5}Ge{sub 3} showing a Curie-Weiss-like paramagnetic behavior at low temperatures likely due to presence of paramagnetic impurity. Both Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3} display a very low electrical resistivity from 2 to 300 K. The resistivity is constant below 20 K, but displays a positive temperature coefficient above 20 K. Electronic structure calculations with the TB-LMTO-ASA method support the metallic character of the two phases and suggest that the bonding is optimized in both phases. - Highlights: • Synthesis of Cr{sub 5}B{sub 3}-type Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3} phases with high purity by arc-melting and sintering, respectively. • Magnetization data and electrical resistivity of the Cr{sub 5}B{sub 3}-type Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3} phases. • Crystal and electronic structure analysis for Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3} phase by X-ray diffraction and TB-LMTO-ASA calculations.

Enstatite, Mg/sub 2/Si/sub 2/O/sub 6/: A neutron diffraction refinement of the crystal structure and a rigid-body analysis of the thermal vibration

Energy Technology Data Exchange (ETDEWEB)

Ghose, S.; Schomaker, V.; McMullan, R.K.

1986-01-01

Synthetic enstatite, Mg/sub 2/Si/sub 2/O/sub 6/, is orthorhombic, space group Pbca, with eight formula units per cell and lattice parameters a = 18.235(3), b = 8.818(1), c = 5.179(1) A at 23/sup 0/C. A least-squares structure refinement based on 1790 neutron intensity data converged with an agreement factor R(F/sup 2/) = 0.032, yielding Mg-O and Si-O bond lengths with standard deviations of 0.0007 and 0.0008 A, respectively. The variations observed in the Si-O bond lengths within the silicate tetrahedra A and B are caused by the differences in primary coordination of the oxygen atoms and the proximity of the magnesium ions to the silicon atoms. The latter effect is most pronounced for the bridging bonds of tetrahedron. A. The smallest O-Si-O angle is the result of edge-sharing by the Mg(2) octahedron and the A tetrahedron. An analysis of rigid-body thermal vibrations of the two crystallographically independent (SiO/sub 4/) tetrahedra indicates considerable librational motion, leading to a thermal correction of apparent Si-O bond lengths as large as +0.002 A at room temperature.

Study of polarization curves from AlSi12, AlSi5Mg and AlMg5 alloys due to corrosion problems in telecomunication equipment

International Nuclear Information System (INIS)

Silva, J.R.A. da

1984-01-01

The corrosion behaviour of three aluminium based alloys (AlSi 12, AlMg5 and AlSi 5Mg) when exposed to aqueous media containing chloride is investigated; these alloys are used in the manufacturing of telecomunication equipment. Accelerated corrosion testing and salt spray tests were carried out. The results include polarization curves obtained with three kinds of aqueous solutions (the first containing only 3% NaCl and the others, 3% NaCl and small amounts of Fe 3+ and Cu 2+ ions). (C.L.B.) [pt

The influence of chemical composition on the properties and structure Al-Si-Cu(Mg) alloys

OpenAIRE

M. Kaczorowski; A. Krzyńska

2007-01-01

The mechanical properties of different chemical composition AlSiCuMg type cast alloys after precipitation hardening are presented. The aim of the study was to find out how much the changes in chemistry of aluminum cast alloys permissible by EN-PN standards may influence the mechanical properties of these alloys. Eight AlSi5Cu3(Mg) type cast alloys of different content alloying elements were selected for the study. The specimens cut form test castings were subjected to precipitation hardening ...

Effect of Ni on eutectic structural evolution in hypereutectic Al-Mg2Si cast alloys

International Nuclear Information System (INIS)

Li Chong; Wu Yaping; Li Hui; Wu Yuying; Liu Xiangfa

2010-01-01

Research highlights: → By the injection of rod-like NiAl 3 phase in Al-Mg 2 Si alloys, Al-Mg 2 Si binary eutectic structure gradually evolves into Al-Mg 2 Si-NiAl 3 ternary eutectic. → The ternary eutectic presents a unique double rod structure that rod-like NiAl 3 and Mg 2 Si uniformly distribute in Al matrix. → The mechanism of structural evolution was analyzed in terms of the detailed microstructural observations. → The high temperature (350 deg. C) tensile strength of the alloy increases by 23% due to the eutectic structural evolution. - Abstract: The aim of this work is to investigate the eutectic structural evolution of hypereutectic Al-20% Mg 2 Si with Ni addition under a gravity casting process. Three-dimensional morphologies of eutectic phases were observed in detail using field emission scanning electron microscopy, after Al matrix was removed by deep etching or extraction. The results show that Al-Mg 2 Si binary eutectic gradually evolves into Al-Mg 2 Si-NiAl 3 ternary eutectic with the increase of Ni content, and flake-like eutectic Mg 2 Si transforms into rods. The ternary eutectic presents a unique double rod structure that rod-like NiAl 3 and Mg 2 Si uniformly distribute in Al matrix. Further, the high temperature (350 deg. C) tensile strength of the alloy increases by 23% due to the eutectic structure evolution, and the mechanism of structural evolution was discussed and analyzed in terms of the detailed microstructural observations.

High figure of merit and thermoelectric properties of Bi-doped Mg2Si0.4Sn0.6 solid solutions

International Nuclear Information System (INIS)

Liu, Wei; Zhang, Qiang; Yin, Kang; Chi, Hang; Zhou, Xiaoyuan; Tang, Xinfeng; Uher, Ctirad

2013-01-01

The study of Mg 2 Si 1−x Sn x -based thermoelectric materials has received widespread attention due to a potentially high thermoelectric performance, abundant raw materials, relatively low cost of modules, and non-toxic character of compounds. In this research, Mg 2.16 (Si 0.4 Sn 0.6 ) 1−y Bi y solid solutions with the nominal Bi content of 0≤y≤0.03 are prepared using a two-step solid state reaction followed by spark plasma sintering consolidation. Within this range of Bi concentrations, no evidence of second phase segregation was found. Bi is confirmed to occupy the Si/Sn sites in the crystal lattice and behaves as an efficient n-type dopant in Mg 2 Si 0.4 Sn 0.6 . Similar to the effect of Sb, Bi doping greatly increases the electron density and the power factor, and reduces the lattice thermal conductivity of Mg 2.16 Si 0.4 Sn 0.6 solid solutions. Overall, the thermoelectric figure of merit of Bi-doped Mg 2.16 Si 0.4 Sn 0.6 solid solutions is improved by about 10% in comparison to values obtained with Sb-doped materials of comparable dopant content. This improvement comes chiefly from a marginally higher Seebeck coefficient of Bi-doped solid solutions. The highest ZT∼1.4 is achieved for the y=0.03 composition at 800 K. - Graphical abstract: (a)The relationship between electrical conductivity and power factor for Sb/Bi-doped Mg 2.16 (Si 0.4 Sn 0.6 ) 1−y (Sb/Bi) y (0 2.16 (Si 0.4 Sn 0.6 ) 1−y Bi y (0≤y≤0.03) solid solutions. (c)Temperature dependent dimensionless figure of merit ZT of Mg 2.16 (Si 0.4 Sn 0.6 ) 1−y Bi y (0≤y≤0.03) solid solutions. - Highlights: • Bi doped Mg 2.16 Si 0.4 Sn 0.6 showed 15% enhancement in the power factor as compared to Sb doped samples. • Bi doping reduced κ ph of Mg 2.16 Si 0.4 Sn 0.6 due to stronger point defect scattering. • The highest ZT=1.4 at 800 K was achieved for Mg 2.16 (Si 0.4 Sn 0.6 ) 0.97 Bi 0.03

Low-temperature atomic layer deposition of MgO thin films on Si

International Nuclear Information System (INIS)

Vangelista, S; Mantovan, R; Lamperti, A; Tallarida, G; Kutrzeba-Kotowska, B; Spiga, S; Fanciulli, M

2013-01-01

Magnesium oxide (MgO) films have been grown by atomic layer deposition in the wide deposition temperature window of 80–350 °C by using bis(cyclopentadienyl)magnesium and H 2 O precursors. MgO thin films are deposited on both HF-last Si(1 0 0) and SiO 2 /Si substrates at a constant growth rate of ∼0.12 nm cycle −1 . The structural, morphological and chemical properties of the synthesized MgO thin films are investigated by x-ray reflectivity, grazing incidence x-ray diffraction, time-of-flight secondary ion mass spectrometry and atomic force microscopy measurements. MgO layers are characterized by sharp interface with the substrate and limited surface roughness, besides good chemical uniformity and polycrystalline structure for thickness above 7 nm. C–V measurements performed on Al/MgO/Si MOS capacitors, with MgO in the 4.6–11 nm thickness range, allow determining a dielectric constant (κ) ∼ 11. Co layers are grown by chemical vapour deposition in direct contact with MgO without vacuum-break (base pressure 10 −5 –10 −6  Pa). The as-grown Co/MgO stacks show sharp interfaces and no elements interdiffusion among layers. C–V and I–V measurements have been conducted on Co/MgO/Si MOS capacitors. The dielectric properties of MgO are not influenced by the further process of Co deposition. (paper)

Comparative study on stress in AlGaN/GaN HEMT structures grown on 6H-SiC, Si and on composite substrates of the 6H-SiC/poly-SiC and Si/poly-SiC

International Nuclear Information System (INIS)

Guziewicz, M; Kaminska, E; Piotrowska, A; Golaszewska, K; Domagala, J Z; Poisson, M-A; Lahreche, H; Langer, R; Bove, P

2008-01-01

The stresses in GaN-based HEMT structures grown on both single crystal 6H SiC(0001) and Si(111) have been compared to these in the HEMT structures grown on new composite substrates engendered as a thin monocrystalline film attached to polycrystalline 3C-SiC substrate. By using HRXRD technique and wafer curvature method we show that stress of monocrystalline layer in composite substrates of the type mono-Si/poly-SiC is lower than 100 MPa and residual stress of epitaxial GaN buffer grown on the composite substrate does not exceed 0.31 GPa, but in the cases of single crystal SiC or Si substrates the GaN buffer stress is compressive in the range of -0.5 to -0.75 GPa. The total stress of the HEMT structure calculated from strains is consistent with the averaged stress of the multilayers stack measured by wafer curvature method. The averaged stress of HEMT structure grown on single crystals is higher than those in structures grown on composites substrates

Blue and red dual emission nanophosphor CaMgSi2O6:Eun+; crystal structure and electronic configuration

International Nuclear Information System (INIS)

Pawar, A.U.; Jadhav, Abhijit P.; Pal, U.; Kim, Byung Kyu; Kang, Young Soo

2012-01-01

Well dispersed Eu doped CaMgSi 2 O 6 (CMS) nanoparticles of 12–19 nm average sizes were synthesized by the co-precipitation method using different ratios of water and ethanol mixture as a solvent and subsequent air annealing. While ethanol as solvent produced pure CMS in monoclinic phase, pure water produced Ca 2 MgSi 2 O 7 (C2MS) and CMS in the mixed phase. Apart from the composition of CMS and C2MS, concentration and ionization state of the activator depended strongly on the composition (effective dielectric constant) of the solvent. Both the blue and red emission bands could be revealed for the europium activated CMS nanoparticles using single europium precursor. Efficiency of blue and red emissions in the nanophosphors, controlled by the relative abundance of europium in Eu 2+ and Eu 3+ oxidation states, could be controlled by adjusting the water content in the solvent. The relative intensity of the red emission (615 nm) decreased with the increase of water content in the solvent. - Highlights: ► We have synthesized Eu doped CaMgSi 2 O 6 using different volume ratios of water and ethanol solvent. ► We observed Ca 2 MgSi 2 O 7 phase increases with increasing amount of water in solvent. ► Dual emission was observed using single europium precursor. ► As synthesized material can be used for wavelength conversion application.

New orthorhombic derivative of CaCu{sub 5}-type structure: RNi{sub 4}Si compounds (R=Y, La, Ce, Sm, Gd–Ho), crystal structure and some magnetic properties

Energy Technology Data Exchange (ETDEWEB)

Morozkin, A.V., E-mail: morozkin@general.chem.msu.ru [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation); Knotko, A.V. [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation); Yapaskurt, V.O. [Department of Petrology, Geological Faculty, Moscow State University, Leninskie Gory, Moscow 119992 (Russian Federation); Yuan, Fang; Mozharivskyj, Y. [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario, Canada L8S 4M1 (Canada); Nirmala, R. [Indian Institute of Technology Madras, Chennai 600036 (India)

2013-12-15

The crystal structure of new YNi{sub 4}Si-type RNi{sub 4}Si (R=Y, La, Ce, Sm, Gd–Ho) compounds has been established using powder X-ray diffraction. The YNi{sub 4}Si structure is a new structure type, which is orthorhombic derivative of CaCu{sub 5}-type structure (space group Cmmm N 65, oC12). GdNi{sub 4}Si and DyNi{sub 4}Si compounds order ferromagnetically at 25 and 19 K, respectively whereas YNi{sub 4}Si shows antiferromagnetic nature. At 15 K, DyNi{sub 4}Si shows second antiferromagnetic-like transition. The magnetic moment of GdNi{sub 4}Si at 5 K in 50 kOe field is ∼7.2 μ{sub B}/f.u. suggesting a completely ordered ferromagnetic state. The magnetocaloric effect of GdNi{sub 4}Si is calculated in terms of isothermal magnetic entropy change and it reaches the maximum value of −12.8 J/kg K for a field change of 50 kOe near T{sub C} ∼25 K. - Graphical abstract: The RNi{sub 4}Si (R=Y, La, Ce, Sm, Gd–Ho) compounds crystallize in new YNi{sub 4}Si-type structure which is orthorhombic derivative of the basic CaCu{sub 5}-type structure. GdNi{sub 4}Si and DyNi{sub 4}Si compounds show the ferromagnetic-like ordering, whereas.YNi{sub 4}Si has the antiferromagnetic nature. The GdNi{sub 4}Si demonstrates the big magnetocaloric effect near temperature of ferromagnetic ordering. The relationship between initial CaCu{sub 5}-type DyNi{sub 5} and YNi{sub 4}Si-type DyNi{sub 4}Si lattices.

AlSi17Cu5Mg alloy as future material for castings of pistons for internal combustion engines

Directory of Open Access Journals (Sweden)

J. Piątkowski

2015-07-01

Full Text Available The paper presents chosen properties and microstructure of AlSi17Cu5Mg alloy as future material for casting pistons in automotive industry. Tests were conducted to elaborate technology of preparation, assessment of crystallisation parameters and shaping the primary structure of the silumin with the aim to improve the working parameters and the functioning efficiency in cylinder-piston system. Refinement of Si crystals, achieved due to overheating above the temperature Tliq. causes that the alloy reaches satisfactory properties in working chamber of the engine are optimised. Such condition of material characteristics causes that hypereutectic silumins, for chosen applications in transport, may serve as an alternative to Al - Si alloys of hypoeutectic and near - eutectic type.

Investigating and engineering spin-orbit torques in heavy metal/Co2FeAl0.5Si0.5/MgO thin film structures

International Nuclear Information System (INIS)

Loong, Li Ming; Deorani, Praveen; Qiu, Xuepeng; Yang, Hyunsoo

2015-01-01

Current-induced spin-orbit torques (SOTs) have the potential to revolutionize magnetization switching technology. Here, we investigate SOT in a heavy metal (HM)/Co 2 FeAl 0.5 Si 0.5 (CFAS)/MgO thin film structure with perpendicular magnetic anisotropy (PMA), where the HM is either Pt or Ta. Our results suggest that both the spin Hall effect and the Rashba effect contribute significantly to the effective fields in the Pt underlayer samples. Moreover, after taking the PMA energies into account, current-induced SOT-based switching studies of both the Pt and Ta underlayer samples suggest that the two HM underlayers yield comparable switching efficiency in the HM/CFAS/MgO material system

Influence of dopants on the glow curve structure and energy dependence of LiF:Mg,Cu,Si detectors

Energy Technology Data Exchange (ETDEWEB)

Knezevic, Z., E-mail: zknez@irb.h [Ruder Boskovic Institute, Bijenicka 54, 10000 Zagreb (Croatia); Ranogajec-Komor, M.; Miljanic, S. [Ruder Boskovic Institute, Bijenicka 54, 10000 Zagreb (Croatia); Lee, J.I.; Kim, J.L. [Korea Atomic Energy Research Institute, P.O. Box 105 Yuseong, Daejon 305-600 (Korea, Republic of); Music, S. [Ruder Boskovic Institute, Bijenicka 54, 10000 Zagreb (Croatia)

2011-03-15

LiF thermoluminescent material doped with Mg, Cu and Si recently developed by the Korea Atomic Energy Research Institute (KAERI) has shown very good dosimetric properties. Since the thermoluminescence in LiF was found to be dependent on the proper combination of dopants, the investigation of the concentration and type of dopants is very important in developing and characterisation of new TL materials. The aim of this work was to determine the influence of type and concentration of activators on the glow curve structure, sensitivity, reproducibility and on the photon energy response of LiF:Mg,Cu,Si detectors. The energy response was studied in air and on the ISO water phantom in the range of mean photon energies between 33 keV and 164 keV. The morphology and local chemical composition of LiF:Mg,Cu,Si detectors were examined using high resolution scanning electron microscopy (FE-SEM). The results show that type and concentration of activators influence the glow curve and sensitivity. Different dopant concentrations did not show influence on the photon energy response. The sensitivity of LiF:Mg,Cu,Si detector with dopant concentration of Mg = 0.35 mol%, Cu = 0.025 mol% and Si = 0.9 mol% was very high (up to 65 times higher than that of TLD-100). The photon energy response of LiF:Mg,Cu,Si detectors containing all three dopants in various concentrations is in accordance with the IAEA recommendations for individual monitoring.

Influence of dopants on the glow curve structure and energy dependence of LiF:Mg,Cu,Si detectors

International Nuclear Information System (INIS)

Knezevic, Z.; Ranogajec-Komor, M.; Miljanic, S.; Lee, J.I.; Kim, J.L.; Music, S.

2011-01-01

LiF thermoluminescent material doped with Mg, Cu and Si recently developed by the Korea Atomic Energy Research Institute (KAERI) has shown very good dosimetric properties. Since the thermoluminescence in LiF was found to be dependent on the proper combination of dopants, the investigation of the concentration and type of dopants is very important in developing and characterisation of new TL materials. The aim of this work was to determine the influence of type and concentration of activators on the glow curve structure, sensitivity, reproducibility and on the photon energy response of LiF:Mg,Cu,Si detectors. The energy response was studied in air and on the ISO water phantom in the range of mean photon energies between 33 keV and 164 keV. The morphology and local chemical composition of LiF:Mg,Cu,Si detectors were examined using high resolution scanning electron microscopy (FE-SEM). The results show that type and concentration of activators influence the glow curve and sensitivity. Different dopant concentrations did not show influence on the photon energy response. The sensitivity of LiF:Mg,Cu,Si detector with dopant concentration of Mg = 0.35 mol%, Cu = 0.025 mol% and Si = 0.9 mol% was very high (up to 65 times higher than that of TLD-100). The photon energy response of LiF:Mg,Cu,Si detectors containing all three dopants in various concentrations is in accordance with the IAEA recommendations for individual monitoring.

Magnesium substitutions in rare-earth metal germanides with the Gd5Si4 type. Synthesis, structure determination and magnetic properties of RE5-xMgxGe4 (RE=Gd-Tm, Lu and Y)

Energy Technology Data Exchange (ETDEWEB)

Sarrao, J L [Los Alamos National Laboratory; Thompson, Joe D [Los Alamos National Laboratory; Tobash, P H [UNIV. OF DE; Bobev, S [UNIV. OF DE

2009-01-01

A series of magnesium-substituted rare-earth metal germanides with a general formula RE{sub 5-x}Mg{sub x}Ge{sub 4} (x {approx} 1.0-2.3; RE =Gd-Tm, Lu, Y) have been synthesized by high-temperature reactions and structurally characterized by single-crystal X-ray diffraction. These compounds crystallize with the common Gd{sub 5}Si{sub 4} type in the orthorhombic space group Pnma (No. 62; Z =4; Pearson's code oP36) and do not appear to undergo temperature-induced crystallographic phase transitions down to 120 K. Replacing rare-earth metal atoms with Mg, up to nearly 45 % at., reduces the valence electron count and is clearly expressed in the subtle changes of the Ge-Ge and metal-metal bonding. Magnetization measurements as a function of the temperature and the applied field reveal complex magnetic structures at cryogenic temperatures, and Curie-Weiss paramagnetic behavior at higher temperatures. The observed local moment magnetism is consistent with RE+ ground states in all cases. In the magnetically ordered phases, the magnetization cannot reach saturation in fields up to 50 kOe. The structural trends across the series and the variations of hte magnetic properties as a function of the Mg content are also discussed. KEYWORDS: Rare-earth intermetallics, germanides, crystal structure,Gd{sub 5}Si{sub 4} type.

Corrosion analysis of AlMg2 and AlMgSi using electrochemical method

International Nuclear Information System (INIS)

Dian A; Maman Kartaman; Rosika K; Yanlinastuti

2014-01-01

Corrosion test of cladding materials and structures of research reactor fuel, AlMgSi and AlMg2 have been performed in demineralized water of pH 2 and 6.7 using an electrochemical method. Corrosion phenomenon is affected by several factor such as composition and condition of solution. The purpose of this activity is to investigate the corrosion phenomena through the determination of the parameters of corrosion and polarization curve. The materials used are AlMg2 and AlMgSi alloy in circular dish shape with an area of 1 Cm"2. Preparation of the test sample is performed through several stages polishing, cleaning and drying procedures followed ASTM G3. The electrochemical method is done by measuring the open circuit potential (OCP), polarization resistance and potentiodynamic in demineralized water of pH 2 and pH 6.7 at temperature of 25°C. The results of the OCP is the corrosion potential (Ecorr) of AlMg2 and AlMgSi each of -906.1 mV and -619.8 mV at pH 2 and -868.6 and -756.7 mV at pH 6.7 mV. The results of measurements by polarization resistance technique showed that the corrosion rate of AlMg2 and AlMgSi in safe category (<2 mpy) at pH 6.7 and at pH 2 corrosion rate increased significantly, but still in the lightweight category (<20 mpy). Potentiodynamic curves showed that the passivation at pH 6.7 is very low while the passivation at pH 2 occurs within a relatively short range potential and followed events corroded. (author)

The Influence of Aluminum on the Microstructure and Hardness of Mg-5Si-7Sn Alloy

Directory of Open Access Journals (Sweden)

Rzychoń T.

2016-03-01

Full Text Available Magnesium alloys due the low density and good mechanical properties are mainly used in the automotive and aerospace industry. In recent years, magnesium alloys are extensively developed for use in high temperatures (above 120°C. Among these alloys, magnesium alloys containing tin and silicon have large possibilities of application due to the formation of thermally stable intermetallic Mg2Sn and Mg2Si. In this paper the influence of aluminum and heat treatment on the on the microstructure and hardness of Mg-7Sn-5Si alloy is reported. It was found that the microstructure of Mg-7Sn-5Si alloy consist of α-Mg solid solution, Mg2Sn and Mg2Si compounds. Addition of 2 wt% of Al to Mg-7Sn-5Si alloy causes the formation of Al2Sn phase. Moreover, Al dissolves in the α-Mg solid solution. The solution heat-treatment of tested alloys at 500°C for 24 h causes the dissolve the Mg2Sn phase in the α-Mg matrix and spheroidization of Mg2Si compound. The Mg2Si primary crystals are stable at solution temperature. After ageing treatment the precipitation process of equilibrium Mg2Sn phase was found in both alloys. The addition of aluminum has a positive effect on the hardness of Mg-7Sn-5Si alloy. In case of Mg-5Si-7Sn-2Al alloy the highest hardness was obtained for sample aged for 148 h at 250°C (88 HV2, while in case of Al-free alloy the highest hardness is 70 HV for material aged for 148 h at 250°C.

The chemical phenol extraction of intermetallic particles from casting AlSi5Cu1Mg alloy.

Science.gov (United States)

Mrówka-Nowotnik, G; Sieniawski, J; Nowotnik, A

2010-03-01

This paper presents a chemical extraction technique for determination of intermetallic phases formed in the casting AlSi5Cu1Mg aluminium alloy. Commercial aluminium alloys contain a wide range of intermetallic particles that are formed during casting, homogenization and thermomechanical processing. During solidification, particles of intermetallics are dispersed in interdendritic spaces as fine primary phases. Coarse intermetallic compounds that are formed in this aluminium alloy are characterized by unique atomic arrangement (crystallographic structure), morphology, stability, physical and mechanical properties. The volume fraction, chemistry and morphology of the intermetallics significantly affect properties and material behaviour during thermomechanical processing. Therefore, accurate determination of intermetallics is essential to understand and control microstructural evolution in Al alloys. Thus, in this paper it is shown that chemical phenol extraction method can be applied for precise qualitative evaluation. The results of optical light microscopy LOM, scanning electron microscopy SEM and X-ray diffraction XRD analysis reveal that as-cast AlSi5Cu1Mg alloy contains a wide range of intermetallic phases such as Al(4)Fe, gamma- Al(3)FeSi, alpha-Al(8)Fe(2)Si, beta-Al(5)FeSi, Al(12)FeMnSi.

Structure of Mg2SiO4 glass up to 140 GPa

Science.gov (United States)

Prescher, C.; Prakapenka, V.; Wang, Y.; Skinner, L. B.

2014-12-01

The physical properties of melts at temperature and pressure conditions of the Earth's mantle have a fundamental influence on the chemical and thermal evolution of the Earth. However, direct investigations of melt structures at these conditions are experimentally very difficult or even impossible with current capabilities. In order to still be able to obtain an estimate of the structural behavior of melts at high pressures and temperatures, amorphous materials have been widely used as analogue materials. In particular the investigation of sound wave velocities of amorphous SiO2 and MgSiO3 as analogues for silicate melts indicate structural changes at about ~30-40 GPa and ~130-140 GPa [1]. The transition pressures are lower for MgSiO3 than for SiO2 indicating that these transitions are affected by the degree of polymerization of the SiO2 network of the glasses. Nevertheless, these measurements only give a hint about the occurrence of structural transitions but lack information on the actual structural changes accompanied by the sound wave velocity discontinuities. The pressure of the second structural transition at ~130-140 GPa is of vital importance for geophysics. If it causes silicate melts to become denser than the surrounding solid material, it would result in negatively buoyant melts close to the core-mantle boundary, which could be a major factor affecting the chemical stratification of the Earth's mantle during an early magma ocean after the moon forming impact. In order to resolve the structural transition and estimate the effect of a different degree of polymerization further, we studied the structural behavior of Mg2SiO4 glass up to 140 GPa using X-ray total scattering and pair distribution function analysis. The measurements were performed at the GSECARS 13-IDD beamline at the APS employing the newly developed multichannel collimator (MCC) setup. The MCC effectively removes unwanted Compton scattering of the diamond anvils and enables easy extraction of

Karakterisasi Paduan AlMgSi Untuk Kelongsong Bahan Bakar U3Si2/Al Dengan Densitas Uranium 5,2 gU/cm3

Directory of Open Access Journals (Sweden)

Aslina Br. Ginting

2018-03-01

Full Text Available Meningkatnya densitas uranium dari 2,96 gU/cm3 menjadi 5,2 gU/cm3 bahan bakar U3Si2/Al harus diikuti dengan penggunaan kelongsong yang kompatibel. Bahan bakar berdensitas tinggi mempunyai kekerasan yang tinggi, sehingga bila menggunakan paduan AlMg2 sebagai kelongsong dapat menyebabkan terjadi dogbone pada saat perolan. Selain fenomena dogbone, pada saat bahan bakar tersebut digunakan di reaktor dapat terjadi swelling karena meningkatnya hasil fisi maupun burn up. Oleh karena itu, perlu dicari pengganti bahan kelongsong untuk bahan bakar U3Si2/Al densitas tinggi. Pada penelitian ini telah dilakukan karakterisasi paduan AlMgSi sebagai kandidat pengganti kelongsong AlMg2. Karakterisasi yang dilakukan meliputi analisis termal, kekerasan, mikrostruktur dan laju korosi. Analisis termal dilakukan menggunakan DTA (Differential Thermal Analysis dan DSC (Differential Scanning Calorimetry. Analisis kekerasan menggunakan alat uji kekerasan mikro, mikrostruktur menggunakan SEM (Scanning Electron Microscope dan analisis laju korosi dilakukan dengan pemanasan pada temperatur 150 oC selama 77 jam di dalam autoclave. Hasil analisis menunjukkan bahwa kelongsong AlMgSi maupun AlMg2 mempunyai kompatibilitas panas dengan bahan bakar U3Si2/Al cukup stabil hingga temperatur 650 oC. Kelongsong AlMgSi mempunyai kekerasan sebesar 115 HVN dan kelongsong AlMg2 sebesar 70,1 HVN. Sementara itu, analisis mikrostruktur menunjukkan bahwa morfologi ikatan antarmuka (interface bonding kelongsong AlMgSi lebih baik dari kelongsong AlMg2, demikian halnya dengan laju korosi bahwa kelongsong AlMgSi mempunyai laju korosi lebih kecil dibanding kelongsong AlMg2. Hasil karakterisasi termal, kekerasan, mikrostruktur dan laju korosi menunjukkan bahwa PEB U3Si2/Al densitas 5,2 gU/cm3 menggunakan kelongsong AlMgSi lebih baik dibanding PEB U3Si2/Al  densitas 5,2 gU/cm3  menggunakan kelongsong AlMg2. Kata kunci: U3Si2/Al, densitas 5,2 gU/cm3, kelongsong AlMgSi dan AlMg2.

Effect of Si, Mn, Sn on Tensile and Corrosion Properties of Mg-4Zn-0.5Ca Alloys for Biodegradable Implant Materials

Energy Technology Data Exchange (ETDEWEB)

Cho, Dae Hyun; Nam, Ji Hoon; Lee, Byeong Woo; Park, Ji Yong; Shin, Hyun Jung; Park, Ik Min [Pusan National University, Busan (Korea, Republic of)

2015-03-15

Effect of elements Si, Mn, Sn on tensile and corrosion properties of Mg-4Zn-0.5Ca alloys were investigated. The results of tensile properties show that the yield strength, ultimate tensile strength and elongation of Mg-4Zn-0.5Ca alloy increased significantly with the addition of 0.6 wt% Mn. This is considered the grain refinement effect due to addition of Mn. However addition of 0.6 wt% Si decreased yield strength, ultimate tensile strength and elongation. The bio-corrosion behavior of Mg-4Zn-0.5Ca-X alloys were investigated using immersion tests and potentiodynamic polarization test in Hank's solution. Immersion test showed that corrosion rate of Mg-4Zn-0.5Ca-0.6Mn alloy was the lowest rate and addition of 1.0 wt% Sn accelerated corrosion rate due to micro-galvanic effect in α-Mg/CaMgSn phases interface. And corrosion potential (E{sub c}orr) of Mg-4Zn-0.5Ca-0.6Mn alloy was the most noble among Mg-4Zn-0.5Ca-X alloys.

Coherent interface structures and intergrain Josephson coupling in dense MgO/Mg{sub 2}Si/MgB{sub 2} nanocomposites

Energy Technology Data Exchange (ETDEWEB)

Ueno, Katsuya; Takahashi, Kazuyuki; Uchino, Takashi, E-mail: uchino@kobe-u.ac.jp [Department of Chemistry, Graduate School of Science, Kobe University, Nada, Kobe 657-8501 (Japan); Nagashima, Yukihito [Nippon Sheet Glass Co., Ltd., Konoike, Itami 664-8520 (Japan); Seto, Yusuke [Department of Planetology, Graduate School of Science, Kobe University, Nada, Kobe 657-8501 (Japan); Matsumoto, Megumi; Sakurai, Takahiro [Center for Support to Research and Education Activities, Kobe University, Nada, Kobe 657-8501 (Japan); Ohta, Hitoshi [Molecular Photoscience Research Center, Kobe University, Nada, Kobe 657-8501 (Japan)

2016-07-07

Many efforts are under way to control the structure of heterointerfaces in nanostructured composite materials for designing functionality and engineering application. However, the fabrication of high-quality heterointerfaces is challenging because the crystal/crystal interface is usually the most defective part of the nanocomposite materials. In this work, we show that fully dense insulator (MgO)/semiconductor(Mg{sub 2}Si)/superconductor(MgB{sub 2}) nanocomposites with atomically smooth and continuous interfaces, including epitaxial-like MgO/Mg{sub 2}Si interfaces, are obtained by solid phase reaction between metallic magnesium and a borosilicate glass. The resulting nanocomposites exhibit a semiconductor-superconducting transition at 36 K owing to the MgB{sub 2} nanograins surrounded by the MgO/Mg{sub 2}Si matrix. This transition is followed by the intergrain phase-lock transition at ∼24 K due to the construction of Josephson-coupled network, eventually leading to a near-zero resistance state at 17 K. The method not only provides a simple process to fabricate dense nanocomposites with high-quality interfaces, but also enables to investigate the electric and magnetic properties of embedded superconducting nanograins with good intergrain coupling.

First-principles investigation of Fe-doped MgSiO3-ilmenite

International Nuclear Information System (INIS)

Stashans, Arvids; Rivera, Krupskaya; Pinto, Henry P.

2012-01-01

First principles density functional theory and generalised gradient approximation (GGA) have been exploited to investigate Fe-doped ilmenite-type MgSiO 3 mineral. Strong electron correlation effects not included in a density-functional formalism are described by a Hubbard-type on-site Coulomb repulsion (the DFT+U approach). Microstructure of equilibrium geometries, electronic band structures as well as magnetic properties are computed and discussed in detail. Hartree-Fock methodology is used as an extra tool to study optical properties of the same system. For equilibrium state of the doped mineral we find zigzag-type atomic rearrangements around the Fe impurity. The inclusion of correlation effects leads to an improved description of the electronic properties. In particular, it is discovered that Fe incorporation produces local energy levels within the band-gap of the material. Using ΔSCF method optical absorption energies are found to be equal to 2.2 and 2.6 eV leading to light absorption at longer wavelengths compared to the undoped MgSiO 3 . Our results provide evidence on the occurrence of local magnetic moment in the region surrounding iron dopant. According to the outcomes, the Fe⇒Mg reaction can be described as substitutionally labile with Fe 2+ complex being found in the high-spin state at low pressure MgSiO 3 -ilmenite conditions.

Magnetic order and crystal structure study of YNi{sub 4}Si-type NdNi{sub 4}Si

Energy Technology Data Exchange (ETDEWEB)

Yao, Jinlei [Research Center for Solid State Physics and Materials, School of Mathematics and Physics, Suzhou University of Science and Technology, Suzhou 215009 (China); Isnard, O. [Université Grenoble Alpes, Inst NEEL, BP166, Grenoble F-38042 (France); CNRS, Institut NEEL, 25 rue des martyrs, Grenoble F-38042 (France); Morozkin, A.V., E-mail: morozkin@tech.chem.msu.ru [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation); Ivanova, T.I. [Physics Department, Moscow State University, Moscow 119992 (Russian Federation); Koshkid' ko, Yu.S. [International Laboratory of High Magnetic Fields and Low Temperatures, Wrocław (Poland); VSB-Technical University of Ostrava, Ostrava-Poruba 70833 (Czech Republic); Bogdanov, A.E.; Nikitin, S.A. [Physics Department, Moscow State University, Moscow 119992 (Russian Federation); Suski, W. [International Laboratory of High Magnetic Fields and Low Temperatures, Wrocław (Poland); Polish Academy of Sciences, Trzebiatowski Institute of Low Temperatures and Structure Research, P.O. Box 1410, 50-950 Wrocław 2 (Poland)

2015-02-15

Magnetic measurements and neutron powder diffraction investigation of the magnetic structure of the orthorhombic YNi{sub 4}Si-type (space group Cmmm) NdNi{sub 4}Si compound are presented. The magnetocaloric effect of NdNi{sub 4}Si is calculated in terms of the isothermal magnetic entropy change and it reaches the maximum value of –3.3 J/kg K for a field change of 50 kOe near T{sub C}=12 K. Below ∼12 K, NdNi{sub 4}Si exhibits a commensurate b-axis collinear ferromagnetic ordering with the Cmm′m magnetic space group in a zero magnetic field. At 1.5 K, the neodymium atoms have the magnetic moment of 2.37(5) μ{sub B}. The orthorhombic crystal structure and its thermal evolution are discussed in comparison with the CaCu{sub 5}-type compound. - Graphical abstract: The NdNi{sub 4}Si supplement the series of the orthorhombic derivative of the CaCu{sub 5}-type, namely the YNi{sub 4}Si-type, RNi{sub 4}Si compounds (R=Y, La, Ce, Sm, Gd–Ho). Below ∼12 K in a zero applied magnetic field, NdNi{sub 4}Si exhibits a commensurate b-axis collinear ferromagnetic ordering with the Cmm′m magnetic space group. Compared to the CaCu{sub 5}-type NdNi{sub 4}Si compound, the YNi{sub 4}Si-type counterpart has the relatively high ferromagnetic ordering temperature (9.2 K vs. 12 K), the small magnetocaloric effect (–7.3 J/kg K vs. –3.3 J/kg K for ∆H=50 kOe), and the large magnetic anisotropy at low temperatures. In contrast with CaCu{sub 5}-type NdNi{sub 4}Si, YNi{sub 4}Si-type NdNi{sub 4}Si shows distinct hysteresis loop at 2 K.We suggest that orthorhombic distortion may be used as a prospective route for optimization of permanent magnetic properties in the family of CaCu{sub 5}-type rare earth materials. - Highlights: • Below ∼12 K the YNi{sub 4}Si-type NdNi{sub 4}Si shows a ferromagnetic ordering. • MCE of NdNi{sub 4}Si reaches value of –3.3 J/kg K in 0–50 kOe near Curie point. • NdNi{sub 4}Si exhibits b-axis ferromagnetic order with the Cmm′m magnetic space

Synthesis of ceramic powders of La{sub 9,56} (SiO{sub 4}){sub 6}O{sub 2,34} and La{sub 9,8}Si{sub 5,7}Mg{sub O,3}O{sub 26,}4 by modified sol-gel process; Sintese de pos ceramicos de La{sub 9,56} (SiO{sub 4}){sub 6}O{sub 2,34} e La{sub 9,8}Si{sub 5,7}Mg{sub O,3}O{sub 26,}4 por processo sol-gel modificado

Energy Technology Data Exchange (ETDEWEB)

Lira, Sabrina Lopes; Paiva, Mayara Rafaela Soares; Misso, Agatha Matos; Elias, Daniel Ricco; Yamagata, Chieko, E-mail: yamagata@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (CCTM/IPEN/CNEN-SP), Sao Paulo, SP (Brazil). Centro de Ciencia e Tecnologia de Materiais

2012-07-01

Lanthanum silicate oxyapatite materials are promising for application as electrolyte in solid oxide fuel cells because of high ionic conductivity at temperatures between 600 deg C and 800 deg C. In this work, oxyapatites with the composition La{sub 9,56}(SiO{sub 4}){sub 6}O{sub 2,34}, and La{sub 9,8}Si{sub 5,7}Mg{sub 0,3}O{sub 26,4} were synthesized by using the sol-gel method, followed by precipitation. Initially, the gel of silica was synthesized from sodium silicate solution, by acid catalysis using lanthanum and magnesium chloride solution. Then, the La and Mg hydroxides were precipitated with NaOH in the gel. The powders were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and measurements of specific surface area. The crystalline oxyapatite phase of La{sub 9,56}(SiO{sub 4}){sub 6}O{sub 2,34}, and was La{sub 9,8}Si{sub 5,7}Mg{sub 0,3}O{sub 26,4} obtained by calcination at 900 deg C for 2 and 1h respectively (author)

On the way to enhance the optical absorption of a-Si in NIR by embedding Mg_2Si thin film

International Nuclear Information System (INIS)

Chernev, I. M.; Shevlyagin, A. V.; Galkin, K. N.; Stuchlik, J.; Remes, Z.; Fajgar, R.; Galkin, N. G.

2016-01-01

Mg_2Si thin film was embedded in amorphous silicon matrix by solid phase epitaxy. The structure and optical properties were investigated by electron energy loss, X-ray photoelectron, Raman, and photo thermal deflection spectroscopy measurements. It was found that in the photon energy range of 0.8–1.7 eV, the light absorption of the structure with magnesium silicide (Mg_2Si) film embedded in a-Si(i) matrix is 1.5 times higher than that for the same structure without Mg_2Si.

Photoelectric Properties of Si Doping Superlattice Structure on 6H-SiC(0001).

Science.gov (United States)

Li, Lianbi; Zang, Yuan; Hu, Jichao; Lin, Shenghuang; Chen, Zhiming

2017-05-25

The energy-band structure and visible photoelectric properties of a p/n-Si doping superlattice structure (DSL) on 6H-SiC were simulated by Silvaco-TCAD. The,n the Si-DSL structures with 40 nm-p-Si/50 nm-n-Si multilayers were successfully prepared on 6H-SiC(0001) Si-face by chemical vapor deposition. TEM characterizations of the p/n-Si DSL confirmed the epitaxial growth of the Si films with preferred orientation and the misfit dislocations with a Burgers vector of 1/3 at the p-Si/n-Si interface. The device had an obvious rectifying behavior, and the turn-on voltage was about 1.2 V. Under the visible illumination of 0.6 W/cm², the device demonstrated a significant photoelectric response with a photocurrent density of 2.1 mA/cm². Visible light operation of the Si-DSL/6H-SiC heterostructure was realized for the first time.

Photoelectric Properties of Si Doping Superlattice Structure on 6H-SiC(0001

Directory of Open Access Journals (Sweden)

Lianbi Li

2017-05-01

Full Text Available The energy-band structure and visible photoelectric properties of a p/n-Si doping superlattice structure (DSL on 6H-SiC were simulated by Silvaco-TCAD. The,n the Si-DSL structures with 40 nm-p-Si/50 nm-n-Si multilayers were successfully prepared on 6H-SiC(0001 Si-face by chemical vapor deposition. TEM characterizations of the p/n-Si DSL confirmed the epitaxial growth of the Si films with preferred orientation and the misfit dislocations with a Burgers vector of 1/3 <21-1> at the p-Si/n-Si interface. The device had an obvious rectifying behavior, and the turn-on voltage was about 1.2 V. Under the visible illumination of 0.6 W/cm2, the device demonstrated a significant photoelectric response with a photocurrent density of 2.1 mA/cm2. Visible light operation of the Si-DSL/6H-SiC heterostructure was realized for the first time.

Ternary rare-earth bismuthides RE5SiBi2 and RE5GeBi2 (RE=La-Nd, Gd-Er): Stabilization of the β-Yb5Sb3-type structure through tetrel substitution

International Nuclear Information System (INIS)

Barry, Stephen D.; Tkachuk, Andriy V.; Bie, Haiying; Blanchard, Peter E.R.; Mar, Arthur

2011-01-01

Ternary bismuthides RE 5 TtBi 2 containing rare-earth (RE=La-Nd, Gd-Er) and tetrel (Tt=Si, Ge) atoms have been prepared by arc-melting of the elements followed by annealing at 800 o C. They adopt the β-Yb 5 Sb 3 -type structure (Pearson symbol oP32, space group Pnma, Z=4), as revealed through analysis by single-crystal X-ray diffraction on Ce 5 Si 0.869(4) Bi 2.131(4) and powder X-ray diffraction on Ce 5 GeBi 2 . Cell parameters for the entire series lie in the ranges of a=12.8-11.8 A, b=9.6-9.0 A, and c=8.4-7.9 A. Solid solubility in Ce 5 Si x Bi 3-x and Pr 5 Si x Bi 3-x (approximately 0.9≤x≤1.2, depending on the RE member) is much more limited compared to the antimonides, consistent with a highly ordered structure in which the two possible anion sites are essentially segregated into a smaller one occupied by Tt atoms (CN7) and a larger one occupied by Bi atoms (CN9). Band structure calculations on La 5 SiBi 2 confirm the importance of La-La bonding interactions near the Fermi level. X-ray photoelectron spectra support the presence of partially anionic Bi atoms, as indicated by a small negative binding energy shift relative to elemental Bi. The Ce and Pr members undergo magnetic transitions at low temperatures, possibly involving ferromagnetic interactions, that are strongly influenced by the nature of the Tt atom. -- Graphical Abstract: Tetrel (Si or Ge) and Bi atoms are arranged in an ordered manner in the β-Yb 5 Sb 3 -type structure adopted by RE 5 TtBi 2 . Display Omitted

First-principles investigation of Fe-doped MgSiO{sub 3}-ilmenite

Energy Technology Data Exchange (ETDEWEB)

Stashans, Arvids, E-mail: arvids@utpl.edu.ec [Grupo de Fisicoquimica de Materiales, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador); Rivera, Krupskaya [Grupo de Fisicoquimica de Materiales, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador); Escuela de Geologia y Minas, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador); Pinto, Henry P. [Interdisciplinary Center for Nanotoxicity, Department of Chemistry, Jackson State University, Jackson, Mississippi 39217-0510 (United States)

2012-06-15

First principles density functional theory and generalised gradient approximation (GGA) have been exploited to investigate Fe-doped ilmenite-type MgSiO{sub 3} mineral. Strong electron correlation effects not included in a density-functional formalism are described by a Hubbard-type on-site Coulomb repulsion (the DFT+U approach). Microstructure of equilibrium geometries, electronic band structures as well as magnetic properties are computed and discussed in detail. Hartree-Fock methodology is used as an extra tool to study optical properties of the same system. For equilibrium state of the doped mineral we find zigzag-type atomic rearrangements around the Fe impurity. The inclusion of correlation effects leads to an improved description of the electronic properties. In particular, it is discovered that Fe incorporation produces local energy levels within the band-gap of the material. Using {Delta}SCF method optical absorption energies are found to be equal to 2.2 and 2.6 eV leading to light absorption at longer wavelengths compared to the undoped MgSiO{sub 3}. Our results provide evidence on the occurrence of local magnetic moment in the region surrounding iron dopant. According to the outcomes, the Fe Rightwards-Double-Arrow Mg reaction can be described as substitutionally labile with Fe{sup 2+} complex being found in the high-spin state at low pressure MgSiO{sub 3}-ilmenite conditions.

First-principle study of Mg adsorption on Si(111) surfaces

International Nuclear Information System (INIS)

Min-Ju, Ying; Ping, Zhang; Xiao-Long, Du

2009-01-01

We have carried out first-principle calculations of Mg adsorption on Si(111) surfaces. Different adsorption sites and coverage effects have been considered. We found that the threefold hollow adsorption is energy-favoured in each coverage considered, while for the clean Si(111) surface of metallic feature, we found that 0.25 and 0.5 ML Mg adsorption leads to a semiconducting surface. The results for the electronic behaviour suggest a polarized covalent bonding between the Mg adatom and Si(111) surface. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

On the way to enhance the optical absorption of a-Si in NIR by embedding Mg{sub 2}Si thin film

Energy Technology Data Exchange (ETDEWEB)

Chernev, I. M., E-mail: igor-chernev7@mail.ru; Shevlyagin, A. V.; Galkin, K. N. [Institute of Automation and Control Processes of FEB RAS, Radio St. 5, 690041 Vladivostok (Russian Federation); Stuchlik, J. [Institute of Physics of the ASCR, v. v. i., Cukrovarnická 10/112, 162 00 Praha 6 (Czech Republic); Remes, Z. [Institute of Physics of the ASCR, v. v. i., Cukrovarnická 10/112, 162 00 Praha 6 (Czech Republic); FBE CTU, Nam. Sitna 3105, 272 01 Kladno (Czech Republic); Fajgar, R. [Institute of Chemical Process Fundamentals of the ASCR, v. v. i., Rozvojová 135, 165 02 Praha 6 (Czech Republic); Galkin, N. G. [Institute of Automation and Control Processes of FEB RAS, Radio St. 5, 690041 Vladivostok (Russian Federation); Far Eastern Federal University, School of Natural Sciences, Sukhanova St. 8, 690950 Vladivostok (Russian Federation)

2016-07-25

Mg{sub 2}Si thin film was embedded in amorphous silicon matrix by solid phase epitaxy. The structure and optical properties were investigated by electron energy loss, X-ray photoelectron, Raman, and photo thermal deflection spectroscopy measurements. It was found that in the photon energy range of 0.8–1.7 eV, the light absorption of the structure with magnesium silicide (Mg{sub 2}Si) film embedded in a-Si(i) matrix is 1.5 times higher than that for the same structure without Mg{sub 2}Si.

Investigating and engineering spin-orbit torques in heavy metal/Co{sub 2}FeAl{sub 0.5}Si{sub 0.5}/MgO thin film structures

Energy Technology Data Exchange (ETDEWEB)

Loong, Li Ming; Deorani, Praveen; Qiu, Xuepeng; Yang, Hyunsoo, E-mail: eleyang@nus.edu.sg [Department of Electrical and Computer Engineering, National University of Singapore, Singapore 117576 (Singapore)

2015-07-13

Current-induced spin-orbit torques (SOTs) have the potential to revolutionize magnetization switching technology. Here, we investigate SOT in a heavy metal (HM)/Co{sub 2}FeAl{sub 0.5}Si{sub 0.5} (CFAS)/MgO thin film structure with perpendicular magnetic anisotropy (PMA), where the HM is either Pt or Ta. Our results suggest that both the spin Hall effect and the Rashba effect contribute significantly to the effective fields in the Pt underlayer samples. Moreover, after taking the PMA energies into account, current-induced SOT-based switching studies of both the Pt and Ta underlayer samples suggest that the two HM underlayers yield comparable switching efficiency in the HM/CFAS/MgO material system.

Electrical transport characterization of Al and Sn doped Mg 2 Si thin films

KAUST Repository

Zhang, Bo

2017-05-22

Thin-film Mg2Si was deposited using radio frequency (RF) magnetron sputtering. Al and Sn were incorporated as n-type dopants using co-sputtering to tune the thin-film electrical properties. X-ray diffraction (XRD) analysis confirmed that the deposited films are polycrystalline Mg2Si. The Sn and Al doping concentrations were measured using Rutherford backscattering spectroscopy (RBS) and energy dispersive X-ray spectroscopy (EDS). The charge carrier concentration and the charge carrier type of the Mg2Si films were measured using a Hall bar structure. Hall measurements show that as the doping concentration increases, the carrier concentration of the Al-doped films increases, whereas the carrier concentration of the Sn-doped films decreases. Combined with the resistivity measurements, the mobility of the Al-doped Mg2Si films is found to decrease with increasing doping concentration, whereas the mobility of the Sn-doped Mg2Si films is found to increase.

Heterogeneous nucleation of Mg2Si on Sr11Sb10 nucleus in Mg–x(3.5, 5 wt.%)Si–1Al alloys

International Nuclear Information System (INIS)

Wang, Hui-Yuan; Chen, Lei; Liu, Bo; Li, Xiao-Ran; Wang, Jin-Guo; Jiang, Qi-Chuan

2012-01-01

After combined additions of Sr and Sb, most primary Mg 2 Si crystals in Mg–3.5Si–1Al and Mg–5Si–1Al alloys transformed from equiaxed-dendritic shapes to octahedral morphologies; while eutectic phases also changed from Chinese script to short rod-shapes. The mechanisms of complex modification of Sr and Sb were attributed to the heterogeneous nucleation of primary Mg 2 Si on Sr 11 Sb 10 nucleus, together with change in growth manners caused by incorporation of Sb in Mg 2 Si crystals. -- Highlights: ► The Sr 11 Sb 10 is the heterogeneous nucleation of primary Mg 2 Si in Mg–3.5Si–1Al alloys. ► Some Sb atoms were incorporated by substituting Si which changed growth manners of primary Mg 2 Si. ► Primary Mg 2 Si transformed from equiaxed-dendritic to octahedral after modification. ► Eutectic phases changed from Chinese script to short rod-shapes after modification.

Perpendicular magnetic anisotropy in Co2FeAl0.5Si0.5/MgO bottom electrodes for magnetic tunnel junctions

International Nuclear Information System (INIS)

Li, X.Q.; Wu, Y.; Gao, S.; Xu, X.G.; Miao, J.; Jiang, Y.

2013-01-01

Perpendicular magnetic anisotropy (PMA) was achieved in annealed Co 2 FeAl 0.5 Si 0.5 (CFAS)/MgO-based multilayers with good thermal stability up to 400 °C and a large anisotropy energy density K u over 2.0 × 10 5 J/m 3 . The thickness of the full-Heusler CFAS film to maintain PMA is up to 4.8 nm in which the co-existence of disordered A2, ordered B2 and fully ordered L2 1 structures is observed. X-ray photoelectron spectroscopy analysis demonstrates that the origin of the PMA is the hybridization between Co 3d and O 2p orbitals at the CFAS/MgO interface. - Highlights: • We achieved perpendicular magnetic anisotropy (PMA) in Co 2 FeAl 0.5 Si 0.5 (4.8 nm) film; • L2 1 , B2 and A2 phases coexist in perpendicular magnetic anisotropic Co 2 FeAl 0.5 Si 0.5 ; • Magnetic properties have strong dependence on the annealing temperature; • The PMA is induced by the hybridization between Co-3d and O-2p orbitals

Photoluminescence of Mg_2Si films fabricated by magnetron sputtering

International Nuclear Information System (INIS)

Liao, Yang-Fang; Xie, Quan; Xiao, Qing-Quan; Chen, Qian; Fan, Meng-Hui; Xie, Jing; Huang, Jin; Zhang, Jin-Min; Ma, Rui; Wang, Shan-Lan; Wu, Hong-Xian; Fang, Di

2017-01-01

Highlights: • High quality Mg_2Si films were grown on Si (111) and glass substrates with magnetron sputtering, respectively. • The first observation of Photoluminescence (PL) of Mg_2Si films was reported. • The Mg_2Si PL emission wavelengths are almost independence on temperature in the range of 77–300 K. • The strongest PL emissions may be attributed to interstitial Mg donor level to valence band transitions. • The activation energy of Mg_2Si is determined from the quenching of major luminescence peaks. - Abstract: To understand the photoluminescence mechanisms and optimize the design of Mg_2Si-based light-emitting devices, Mg_2Si films were fabricated on silicon (111) and glass substrates by magnetron sputtering technique, and the influences of different substrates on the photoelectric properties of Mg_2Si films were investigated systematically. The crystal structure, cross-sectional morphology, composition ratios and temperature-dependent photoluminescence (PL) of the Mg_2Si films were examined using X-ray diffraction (XRD), Scanning electron microscope (SEM), energy dispersive X-ray spectroscopy (EDS) and PL measurement system, respectively. XRD results indicate that the Mg_2Si film on Si (111) displays polycrystalline structure, whereas Mg_2Si film on glass substrate is of like-monocrystalline structure.SEM results show that Mg_2Si film on glass substrate is very compact with a typical dense columnar structure, and the film on Si substrate represents slight delamination phenomenon. EDS results suggest that the stoichiometry of Mg and Si is approximately 2:1. Photoluminescence (PL) of Mg_2Si films was observed for the first time. The PL emission wavelengths of Mg_2Si are almost independence on temperature in the range of 77–300 K. The PL intensity decreases gradually with increasing temperature. The PL intensity of Mg_2Si films on glass substrate is much larger than that of Mg_2Si film on Si (111) substrate. The activation energy of 18 meV is

Enhanced elevated-temperature performance of LiAl_xSi_0_._0_5Mg_0_._0_5Mn_1_._9_0_-_xO_4 (0≤x≤0.08) cathode materials for high-performance lithium-ion batteries

International Nuclear Information System (INIS)

Zhao, Hongyuan; Liu, Shanshan; Wang, Zhenwei; Cai, Yu; Tan, Ming; Liu, Xingquan

2016-01-01

In order to significantly enhance the elevated-temperature performance of LiSi_0_._0_5Mg_0_._0_5Mn_1_._9_0O_4, the LiAl_xSi_0_._0_5Mg_0_._0_5Mn_1_._9_0_-_xO_4 (0 ≤ x ≤ 0.08) samples were firstly prepared via sol-gel technique. All the obtained samples showed the intrinsic spinel structure without any other detectable impurity phases. Among these samples, the LiAl_0_._0_5Si_0_._0_5Mg_0_._0_5Mn_1_._8_5O_4 sample was found to be optimal possessing regular crystal morphology with clean surfaces and presented much better elevated-temperature cycling stability and rate capability. When carried out at 55 °C, the LiAl_0_._0_5Si_0_._0_5Mg_0_._0_5Mn_1_._8_5O_4 sample exhibited the initial discharge capacity of 123.6 mAh g"−"1 at 0.5C between 3.20 and 4.35 V. After 100 cycles, the discharge capacity could still reach up to 115.9 mAh g"−"1 with capacity retention of 93.8%, which was much higher than that of LiSi_0_._0_5Mg_0_._0_5Mn_1_._9_0O_4. At the higher discharge rate of 10C, a high discharge capacity of 82.5 mAh g"−"1 could be obtained with capacity retention of 95.6% after 50 cycles at 55 °C. By contrast, the LiSi_0_._0_5Mg_0_._0_5Mn_1_._9_0O_4 sample only exhibited 43.7 mAh g"−"1 with lower capacity retention of 61.8%. These results indicate that the introduction of appropriate amount of aluminium ions in the magnesium and silicon co-doped spinel can make up for the shortage of co-doping with magnesium and silicon ions in term of the elevated-temperature performance.

Relativistic quasiparticle band structures of Mg2Si, Mg2Ge, and Mg2Sn: Consistent parameterization and prediction of Seebeck coefficients

Science.gov (United States)

Shi, Guangsha; Kioupakis, Emmanouil

2018-02-01

We apply density functional and many-body perturbation theory calculations to consistently determine and parameterize the relativistic quasiparticle band structures of Mg2Si, Mg2Ge, and Mg2Sn, and predict the Seebeck coefficient as a function of doping and temperature. The quasiparticle band gaps, including spin-orbit coupling effects, are determined to be 0.728 eV, 0.555 eV, and 0.142 eV for Mg2Si, Mg2Ge, and Mg2Sn, respectively. The inclusion of the semicore electrons of Mg, Ge, and Sn in the valence is found to be important for the accurate determination of the band gaps of Mg2Ge and Mg2Sn. We also developed a Luttinger-Kohn Hamiltonian and determined a set of band parameters to model the near-edge relativistic quasiparticle band structure consistently for all three compounds that can be applied for thermoelectric device simulations. Our calculated values for the Seebeck coefficient of all three compounds are in good agreement with the available experimental data for a broad range of temperatures and carrier concentrations. Our results indicate that quasiparticle corrections are necessary for the accurate determination of Seebeck coefficients at high temperatures at which bipolar transport becomes important.

Ethanol-to-Butadiene Conversion over SiO2-MgO Catalysts: Synthesis-Structure-Performance Relationships

NARCIS (Netherlands)

Angelici, C.

2015-01-01

The work presented in this PhD Thesis provides new insights into the underlying reasons that make SiO2-MgO materials excellent catalysts for the ethanol-to-butadiene Lebedev process. In particular, the preparation technique of choice affects the structural properties of the resulting SiO2-MgO

Behaviour of Fe4O5-Mg2Fe2O5 solid solutions and their relation to coexisting Mg-Fe silicates and oxide phases

Science.gov (United States)

Uenver-Thiele, Laura; Woodland, Alan B.; Miyajima, Nobuyoshi; Ballaran, Tiziana Boffa; Frost, Daniel J.

2018-03-01

Experiments at high pressures and temperatures were carried out (1) to investigate the crystal-chemical behaviour of Fe4O5-Mg2Fe2O5 solid solutions and (2) to explore the phase relations involving (Mg,Fe)2Fe2O5 (denoted as O5-phase) and Mg-Fe silicates. Multi-anvil experiments were performed at 11-20 GPa and 1100-1600 °C using different starting compositions including two that were Si-bearing. In Si-free experiments the O5-phase coexists with Fe2O3, hp-(Mg,Fe)Fe2O4, (Mg,Fe)3Fe4O9 or an unquenchable phase of different stoichiometry. Si-bearing experiments yielded phase assemblages consisting of the O5-phase together with olivine, wadsleyite or ringwoodite, majoritic garnet or Fe3+-bearing phase B. However, (Mg,Fe)2Fe2O5 does not incorporate Si. Electron microprobe analyses revealed that phase B incorporates significant amounts of Fe2+ and Fe3+ (at least 1.0 cations Fe per formula unit). Fe-L2,3-edge energy-loss near-edge structure spectra confirm the presence of ferric iron [Fe3+/Fetot = 0.41(4)] and indicate substitution according to the following charge-balanced exchange: [4]Si4+ + [6]Mg2+ = 2Fe3+. The ability to accommodate Fe2+ and Fe3+ makes this potential "water-storing" mineral interesting since such substitutions should enlarge its stability field. The thermodynamic properties of Mg2Fe2O5 have been refined, yielding H°1bar,298 = - 1981.5 kJ mol- 1. Solid solution is complete across the Fe4O5-Mg2Fe2O5 binary. Molar volume decreases essentially linearly with increasing Mg content, consistent with ideal mixing behaviour. The partitioning of Mg and Fe2+ with silicates indicates that (Mg,Fe)2Fe2O5 has a strong preference for Fe2+. Modelling of partitioning with olivine is consistent with the O5-phase exhibiting ideal mixing behaviour. Mg-Fe2+ partitioning between (Mg,Fe)2Fe2O5 and ringwoodite or wadsleyite is influenced by the presence of Fe3+ and OH incorporation in the silicate phases.

Effect of Fe substitution on the structure and magnetocaloric effect of Mn{sub 5−x}Fe{sub x}GeSi{sub 2} alloys

Energy Technology Data Exchange (ETDEWEB)

Sun, Y.W.; Yan, J.L., E-mail: yjl@gxu.edu.cn; Feng, E.L.; Tang, G.W.; Zhou, K.W.

2017-01-15

The structure and magnetocaloric effect of Mn{sub 5−x}Fe{sub x}GeSi{sub 2} compounds were studied. Analysis of X-ray powder diffraction and energy dispersive X-Ray spectroscopy revealed that Mn{sub 5−x}Fe{sub x}GeSi{sub 2} alloys with x<1 crystallize in the Mn{sub 5}Si{sub 3}-type structure (space group P6{sub 3}/mcm), maintaining the structure of Mn{sub 5}Ge{sub 3}; and alloys with x=1.5 and 2 consist of the major Mn{sub 5}Si{sub 3}-type phase and the minor Ni{sub 2}In-type phase (space group P6{sub 3}/mmc). The results of Rietveld refinement showed that the cell parameters for the Mn{sub 5}Si{sub 3}-type phase decrease with increasing Fe content. The positive slopes in Arrott plots indicate that a second-order ferromagnetic to paramagnetic transition occurs. The Curie temperature increases with increasing Fe content from 182 K for x=0.6 to 224 K for x=2. The maximum magnetic entropy change of 3.7 J/(kg K) for x=0.8 was found under a magnetic field change of 0–20 kOe. - Highlights: • Mn{sub 5−x}Fe{sub x}GeSi{sub 2} alloys with x<1 crystallize in the hexagonal Mn{sub 5}Si{sub 3}-type structure. Alloys with x=1.5 and 2 consist of a major Mn{sub 5}Si{sub 3}-type phase and a secondary Ni{sub 2}In-type phase. • The cell parameters decrease and the Curie temperature increases with increasing x in Mn{sub 5−x}Fe{sub x}GeSi{sub 2} alloys. • The maximum -∆S{sub M} of 3.7 J/(kg K) and RCP of 211 J/kg for x=0.8 was found under a magnetic field change of 0–20 kOe.

influence of a low temperature ageing on the properties of al-6.5%si

African Journals Online (AJOL)

user

ABSTRACT. The effect of a low temperature ageing treatment on the hardness, tensile and corrosion ... The hardness of the Al-6.5%Si-0.35%Mg alloy was measured using the Rockwell- .... Aluminium-copper ligand was then charged into the.

Ab initio investigation of superconductivity in orthorhombic MgPtSi

Energy Technology Data Exchange (ETDEWEB)

Tütüncü, H.M., E-mail: tutuncu@sakarya.edu.tr [Sakarya Üniversitesi, Fen-Edebiyat Fakültesi, Fizik Bölümü, 54187, Adapazarı (Turkey); Sakarya Üniversitesi, BIMAYAM Biyomedikal, Manyetik ve Yarıiletken Malzemeler Araştırma Merkezi, 54187, Adapazarı (Turkey); Ertuǧrul Karaca [Sakarya Üniversitesi, Fen-Edebiyat Fakültesi, Fizik Bölümü, 54187, Adapazarı (Turkey); Srivastava, G.P. [School of Physics, University of Exeter, Stocker Road, Exeter EX4 4QL (United Kingdom)

2016-07-15

We have performed an ab initio study of electronic, vibrational and superconducting properties of the orthorhombic MgPtSi by employing the density functional theory, a linear-response formalism, and the plane-wave pseudopotential method. Our electronic results suggest that the density of states at the Fermi level is primarily contributed by Pt 5d and Si 3p states with much smaller contribution from Mg electronic states. Phonon anomalies have been found for all three acoustic branches. Due to these phonon anomalies, the acoustic branches make large contributions to the average electron-phonon coupling parameter. From the Eliashberg spectral function, the value of average electron-phonon coupling parameter is found to 0.707. Using this value, the superconducting critical temperature is obtained to be 2.4 K, in excellent accordance with its experimental value of 2.5 K. - Highlights: • The electronic structure of MgPtSi is studied using ab initio pseudopotential method. • Phonons and electron–phonon interaction in MgPtSi are studied using a linear response theory. • The acoustic phonon modes couple more strongly with electrons. • The value of λ is found to be 0.707 which shows that MgPtSi is a conventional honon-mediated superconductor. • The calculated T{sub c} of 2.4 K is in excellent accordance with its experimental value of 2.5 K.

Experimental studies on mechanical properties of T6 treated Al25Mg2Si2Cu4Fe alloy

Science.gov (United States)

Sondur, D. G.; Mallapur, D. G.; Udupa, K. Rajendra

2018-04-01

Effect of T6 treatment on the mechanical properties of Al25Mg2Si2Cu4Fe alloy was evaluated by conducting mechanical tests on test pieces using universal testing machine. Increase in the mechanical properties such as ultimate tensile strength, hardness and % elongation was observed. Microstructure characterization revealed the modification in the size and shapes of the precipitates formed during the homogenization process. This modification increases the anisotropy of the microstructure and the stresses in the as cast structure. The increase in the hardness of T6 treated alloy is due to the partial recrystallization, fragmentation and redistribution of primary Mg2Si phase, precipitation of fine θ, Q phases. The high volume fractions of uniformly dispersed hard β-particles greatly increase the flow stress and provide an appreciable impediment to plastic deformation. Thus increasing the hardness of the alloy.

Effect of Adding Elements on Microstructure of Mg-3Si Alloy

Directory of Open Access Journals (Sweden)

CUI Bin

2017-03-01

Full Text Available The microstructure of alloy Mg-3Si(mass fraction/%, same as below after successive additions with different elements of Zn, Nd, Gd and Y was observed and the microstructure evolution was investigated by scanning electron microscopy and X-ray diffraction. The results show the primary Mg2Si particles co-exist with eutectic Mg2Si particles in binary alloy Mg-Si. With minor addition of Zn element, only primary Mg2Si can be found in ternary Mg-3Si-3Zn system while eutectic Mg2Si particles disappear. In quaternary alloy Mg-2.0Nd-3.0Zn-3.0Si, the addition of Nd element can effectively refine the primary Mg2Si particles and form some Mg41Nd5 particles. After continuous adding of Gd and Y elements into quaternary system, Gd5Si3 and YSi particles increase significantly in the alloy Mg-8.0Gd-4.0Y-2.0Nd-3.0Zn-3.0Si, while volume fraction of primary Mg2Si decrease significantly. Thermo-Calc calculation predicts that the Gibbs free energy for primary particles Gd5Si3, YSi is lower, and therefore Gd, Y atom and Si are more likely to form compounds. In Mg-8Gd-4Y-2Nd-3Zn-3Si alloy, room temperature Gibbs free energy for primary particles Mg2Si, Gd5Si3, YSi is -9.56×104, -8.72×104, -2.83×104J/mol, respectively, and the mass fraction of these particles is 8.07%, 5.27%, 1.40% respectively.

THERMOELECTRIC PROPERTIES OF HOT-PRESSED p-TYPE Mg2Si0.3Sn0.7 SOLID SOLUTION

Directory of Open Access Journals (Sweden)

G. N. Isachenko

2014-05-01

Full Text Available It is shown that thermoelectric energy conversion which gives the possibility for utilizing a low potential heat is one of the ways for adoption of energy-saving technologies; and semiconductor materials with p-type and n-type conductivities having high thermoelectric figure of merit are necessary for operation of thermoelectric generators. The paper deals with possibility of usage of the p-Mg2Si0.3Sn0.7 solid solution (with a nanostructured modification as a couple for the well studied thermoelectric material based on n-Mg2Si-Mg2Sn. A technological scheme for fabrication of heavily doped Mg2Si0.3Sn0.7 solid solution of p-type by hot pressing from nanopowder is developed. The given technology has made it possible to reduce duration of a homogeneous material fabrication and has improved its physical and chemical properties. The samples were made by three ways: direct fusion for polycrystals fabrication; hot pressing from microparticles; nanostructuring, i.e. hot pressing from nanoparticles. By X-ray diffraction it is shown that sizes of structural elements in the fabricated samples are about 40 nm. The probe technique is used for measurement of electric conductivity and Seebeck coefficient. The stationary absolute method is used for measurement of thermal conductivity. Thermoelectric figure of merit is defined by measured values of kinetic coefficients in the temperatures range of 77 – 800 K. It was demonstrated, that electric conductivity, Seebeck coefficient and the power factor do not depend practically on a way of solid solution preparation. Thermal conductivity of samples pressed from nanoparticles has appeared to be higher, than of samples, obtained by direct fusion; i.e. in this case nanostructuring has not led to increase of thermoelectric figure of merit. The conclusion is drawn, that polycrystalline semiconductor Mg2Si0.3Sn0.7 can be used as a p-branch for a thermoelectric generator though nanostructuring has not led to the figure of

Photoluminescence of Mg{sub 2}Si films fabricated by magnetron sputtering

Energy Technology Data Exchange (ETDEWEB)

Liao, Yang-Fang [Institute of Advanced Optoelectronic Materials and Technology of College of BigData and Information Engineering of Guizhou University, Guiyang 550025 (China); School of Physics and Electronic Science of Guizhou Normal University, Guiyang 550001 (China); Xie, Quan, E-mail: qxie@gzu.edu.cn [Institute of Advanced Optoelectronic Materials and Technology of College of BigData and Information Engineering of Guizhou University, Guiyang 550025 (China); Xiao, Qing-Quan [Institute of Advanced Optoelectronic Materials and Technology of College of BigData and Information Engineering of Guizhou University, Guiyang 550025 (China); Engineering Center for Avionics Electrical and Information Network of Guizhou Provincial Colleges and Universities, Anshun 561000 (China); Chen, Qian; Fan, Meng-Hui [Institute of Advanced Optoelectronic Materials and Technology of College of BigData and Information Engineering of Guizhou University, Guiyang 550025 (China); Xie, Jing [Institute of Advanced Optoelectronic Materials and Technology of College of BigData and Information Engineering of Guizhou University, Guiyang 550025 (China); School of Physics and Electronic Science of Guizhou Normal University, Guiyang 550001 (China); Huang, Jin; Zhang, Jin-Min; Ma, Rui; Wang, Shan-Lan; Wu, Hong-Xian; Fang, Di [Institute of Advanced Optoelectronic Materials and Technology of College of BigData and Information Engineering of Guizhou University, Guiyang 550025 (China)

2017-05-01

Highlights: • High quality Mg{sub 2}Si films were grown on Si (111) and glass substrates with magnetron sputtering, respectively. • The first observation of Photoluminescence (PL) of Mg{sub 2}Si films was reported. • The Mg{sub 2}Si PL emission wavelengths are almost independence on temperature in the range of 77–300 K. • The strongest PL emissions may be attributed to interstitial Mg donor level to valence band transitions. • The activation energy of Mg{sub 2}Si is determined from the quenching of major luminescence peaks. - Abstract: To understand the photoluminescence mechanisms and optimize the design of Mg{sub 2}Si-based light-emitting devices, Mg{sub 2}Si films were fabricated on silicon (111) and glass substrates by magnetron sputtering technique, and the influences of different substrates on the photoelectric properties of Mg{sub 2}Si films were investigated systematically. The crystal structure, cross-sectional morphology, composition ratios and temperature-dependent photoluminescence (PL) of the Mg{sub 2}Si films were examined using X-ray diffraction (XRD), Scanning electron microscope (SEM), energy dispersive X-ray spectroscopy (EDS) and PL measurement system, respectively. XRD results indicate that the Mg{sub 2}Si film on Si (111) displays polycrystalline structure, whereas Mg{sub 2}Si film on glass substrate is of like-monocrystalline structure.SEM results show that Mg{sub 2}Si film on glass substrate is very compact with a typical dense columnar structure, and the film on Si substrate represents slight delamination phenomenon. EDS results suggest that the stoichiometry of Mg and Si is approximately 2:1. Photoluminescence (PL) of Mg{sub 2}Si films was observed for the first time. The PL emission wavelengths of Mg{sub 2}Si are almost independence on temperature in the range of 77–300 K. The PL intensity decreases gradually with increasing temperature. The PL intensity of Mg{sub 2}Si films on glass substrate is much larger than that of Mg

Study of transport properties of bodies with a perovskite structure: application to the MgSiO3 perovskite

International Nuclear Information System (INIS)

Kapusta, Benedicte

1990-01-01

After some recalls on transport in ionic solids (Nernst-Einstein relationship, variation of ionic conductivity, hybrid conduction, fast ionic conduction), this research thesis presents the physical properties of perovskites and more particularly the structure and stability of the MgSiO 3 perovskite: structure and elastic properties, electric conductivity and transport properties in compounds with a perovskite structure. Then, the author reports the experimental study of the KZnF 3 perovskite (a structural analogous of MgSiO 3 ): measurements of electric conductivity under pressure, measurements under atmospheric pressure, result discussion. The next part addresses the numerical simulation of MgSiO 3 : simulation techniques (generalities on molecular dynamics, model description), investigation of structural, elastic and thermodynamic properties, diffusion properties in quadratic phase [fr

Application of Al-2La-1B Grain Refiner to Al-10Si-0.3Mg Casting Alloy

Science.gov (United States)

Jing, Lijun; Pan, Ye; Lu, Tao; Li, Chenlin; Pi, Jinhong; Sheng, Ningyue

2018-05-01

This paper reports the application and microstructure refining effect of an Al-2La-1B grain refiner in Al-10Si-0.3Mg casting alloy. Compared with the traditional Al-5Ti-1B refiner, Al-2La-1B refiner shows better performances on the grain refinement of Al-10Si-0.3Mg alloy. Transmission electron microscopy analysis suggests that the crystallite structure features of LaB6 are beneficial to the heterogeneous nucleation of α-Al grains. Regarding the mechanical performances, tensile properties of Al-10Si-0.3Mg casting alloy are prominently improved, due to the refined microstructures.

Low Z elements (Mg, Al, and Si) K-edge X-ray absorption spectroscopy in minerals and disordered systems

International Nuclear Information System (INIS)

Ildefonse, P.; Calas, G.; Flank, A.M.; Lagarde, P.

1995-01-01

Soft X-ray absorption near edge spectroscopy (XANES) and extended X-ray absorption fine structure (EXAFS) spectroscopy have been performed at the Mg-, Al- and Si-K edges in order to establish the ability of this spectroscopy to derive structural information in disordered solids such as glasses and gels. Mg- and Al-K XANES are good structural probes to determine the coordination state of these elements in important minerals, glasses and gels. In a CaO-MgO-2SiO 2 glass Mg XANES spectra differ from that found in the crystalline equivalent, with a significant shift of the edge maxima to lower energy, consistent with a CN lower than 6. Mg-EXAFS on the same sample are in agreement and indicate the presence of 5-coordinated Mg with Mg-O distances of 2.01 A. In aluminosilicate gels, Al-K XANES has been used to investigate the [4]Al/Al total ratios. These ratios increase as the Al/Si ratios decrease. Aluminosilicate and ferric-silicate gels were studied by using Si-K edge XANES. XANES spectra differ significantly among the samples studied. Aluminosilicate gels with Al/Si=1 present a different Al and Si local environment from that known in clay minerals with the same Al/Si ratio. The gel-to-mineral transformation thus implies a dissolution-recrystallization mechanism. On the contrary, ferric-silicate gel presents a Si local environment close to that found in nontronite which may be formed by a long range ordering of the initial gels. (orig.)

Ge 3P 6Si 2O 25: A cage structure closely related to the intersecting tunnel structure KMo 3P 6Si 2O 25

Science.gov (United States)

Leclaire, A.; Raveau, B.

1988-08-01

A germanosilicophosphate Ge 3P 6Si 2O 25 has been isolated. Its structure was solved from a single-crystal study in the space group P overline31c . Its cell parameters are a = b = 7.994(1) Å, c = 16.513(2) Å, Z = 2. The refinement by full-matrix least-squares calculations leads to R = 0.043 with 686 independent reflections. The structure of this oxide is built up from corner-sharing PO 4 and SiO 4 tetrahedra and GeO 6 octahedra. One observes a feature common to several silicophosphates: the presence of the structural unit P 6Si 2O 25 built up from a disilicate group sharing its corners with six PO 4 tetrahedra. The structural relationships between this oxide and the silicophosphates AMo 3P 6Si 2O 25 and Si 3P 6Si 2O 25 (or Ge 3P 6 Ge 2O 25) are described.

Quantitative investigation of precipitate growth during ageing of Al-(Mg,Si) alloys by energy-filtered electron diffraction

DEFF Research Database (Denmark)

Wollgarten, M.; Chang, C. S. T.; Duchstein, Linus Daniel Leonhard

2011-01-01

Besides other application fields, light-weight Al-(Mg, Si) (6XXX series) alloys are of substantial importance in automotive industries where they are used for the production of car body panels. The material gains its strength by precipitation of metastable Mg-Si-based phases. Though the general...... accepted that the early stages of precipitate growth are important for the understanding of this peculiar behaviour. During these stages, electron diffraction patterns of Al-(Mg, Si) alloys show diffuse features (Figure 1 (a) and (b)) which can be traced back to originate from β'' Mg5Si6 precipitates [5......-7]. In this paper, we use energy-filtered electron diffraction to determine dimensions of the β'' Mg5Si6 precipitates along their a, b and c-axes as a function of ageing time and alloy composition. In our contribution, we first derive that there is an optimal zone axis - - from the view point of practicability. We...

Quasi-2D silicon structures based on ultrathin Me2Si (Me = Mg, Ca, Sr, Ba) films

Science.gov (United States)

Migas, D. B.; Bogorodz, V. O.; Filonov, A. B.; Borisenko, V. E.; Skorodumova, N. V.

2018-04-01

By means of ab initio calculations with hybrid functionals we show a possibility for quasi-2D silicon structures originated from semiconducting Mg2Si, Ca2Si, Sr2Si and Ba2Si silicides to exist. Such a 2D structure is similar to the one of transition metal chalcogenides where silicon atoms form a layer in between of metal atoms aligned in surface layers. These metal surface atoms act as pseudo passivation species stabilizing crystal structure and providing semiconducting properties. Considered 2D Mg2Si, Ca2Si, Sr2Si and Ba2Si have band gaps of 1.14 eV, 0.69 eV, 0.33 eV and 0.19 eV, respectively, while the former one is also characterized by a direct transition with appreciable oscillator strength. Electronic states of the surface atoms are found to suppress an influence of the quantum confinement on the band gaps. Additionally, we report Sr2Si bulk in the cubic structure to have a direct band gap of 0.85 eV as well as sizable oscillator strength of the first direct transition.

Dislocation core structures in Si-doped GaN

International Nuclear Information System (INIS)

Rhode, S. L.; Fu, W. Y.; Sahonta, S.-L.; Kappers, M. J.; Humphreys, C. J.; Horton, M. K.; Pennycook, T. J.; Dusane, R. O.; Moram, M. A.

2015-01-01

Aberration-corrected scanning transmission electron microscopy was used to investigate the core structures of threading dislocations in plan-view geometry of GaN films with a range of Si-doping levels and dislocation densities ranging between (5 ± 1) × 10 8  and (10 ± 1) × 10 9  cm −2 . All a-type (edge) dislocation core structures in all samples formed 5/7-atom ring core structures, whereas all (a + c)-type (mixed) dislocations formed either double 5/6-atom, dissociated 7/4/8/4/9-atom, or dissociated 7/4/8/4/8/4/9-atom core structures. This shows that Si-doping does not affect threading dislocation core structures in GaN. However, electron beam damage at 300 keV produces 4-atom ring structures for (a + c)-type cores in Si-doped GaN

Dislocation core structures in Si-doped GaN

Energy Technology Data Exchange (ETDEWEB)

Rhode, S. L., E-mail: srhode@imperial.ac.uk; Fu, W. Y.; Sahonta, S.-L.; Kappers, M. J.; Humphreys, C. J. [Department of Materials Science and Metallurgy, University of Cambridge, Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Horton, M. K. [Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Pennycook, T. J. [SuperSTEM, STFC Daresbury Laboratories, Warrington WA4 4AD (United Kingdom); Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Dusane, R. O. [Department of Metallurgical Engineering and Materials Science, Indian Institute of Technology Bombay, Mumbai 400076 (India); Moram, M. A. [Department of Materials Science and Metallurgy, University of Cambridge, Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom)

2015-12-14

Aberration-corrected scanning transmission electron microscopy was used to investigate the core structures of threading dislocations in plan-view geometry of GaN films with a range of Si-doping levels and dislocation densities ranging between (5 ± 1) × 10{sup 8} and (10 ± 1) × 10{sup 9} cm{sup −2}. All a-type (edge) dislocation core structures in all samples formed 5/7-atom ring core structures, whereas all (a + c)-type (mixed) dislocations formed either double 5/6-atom, dissociated 7/4/8/4/9-atom, or dissociated 7/4/8/4/8/4/9-atom core structures. This shows that Si-doping does not affect threading dislocation core structures in GaN. However, electron beam damage at 300 keV produces 4-atom ring structures for (a + c)-type cores in Si-doped GaN.

Effect of Si substitution on structural, electronic and optical properties of YNi{sub 4}Si-type DyNi{sub 5−x}Si{sub x} (x=0, 1, 2) compounds

Energy Technology Data Exchange (ETDEWEB)

Maurya, Dinesh Kumar; Saini, Sapan Mohan, E-mail: smsaini.phy@nitrr.ac.in

2016-10-15

We employed first principle calculations for investigation of structural, electronic and optical properties of YNi{sub 4}Si-type DyNi{sub 5−x}Si{sub x} (x=0, 1, 2) compounds. These properties are studied first time on YNi{sub 4}Si-type DyNi{sub 5−x}Si{sub x} compounds. The exchange and correlation potential is treated by the Coulomb corrected local spin density approximation (LSDA+U) method for better accounting of the correlation between the 4f electrons. The optimized lattice constants and internal cell parameters are in agreement with the available data. Self consistence band structure calculations show that Ni-3d states remains in valance band and dominant below the E{sub F}, while Dy-5d and 4f states mainly contributes above Fermi Energy (E{sub F}) in DyNi{sub 5−x}Si{sub x} (x=0, 1, 2) compounds. We also find that when silicon for nickel substitution takes place (DyNi{sub 4}Si), there is a gradual hybridization of Ni-3d and Si-3p states results, nickel moments decrease rapidly in agreement with the experiment. Optical spectra shows the main absorption peak around 4 eV depends on the substituent concentration and could be due to transition from hybridized band (Ni-3d and Si-3p), below E{sub F} to free Dy-4d states. Frequency-dependent refractive index, n(ω), and the extinction coefficient, k(ω), of DyNi{sub 5−x}Si{sub x} (x=0, 1, 2) are also calculated for the radiation up to 14 eV. - Highlights: • Calculated DOS revels that Ni-3d states are dominated below Fermi level (E{sub F}). • Spin down Dy-4f states show significant contribution to DOS above E{sub F.} • Nickel moments decrease rapidly with substitution of silicon for nickel (DyNi{sub 4}Si). • Most significant peak is found around 7eV in optical conductivity. • Nickel moments decrease rapidly with substitution of silicon for nickel (DyNi{sub 4}Si). • Peak indicates the possibility of transitions from Ni-3d states to empty spin down Dy-4f states.

Magnetic properties of two new compounds: Pr2Ni3Si5 and Ho2Ni3Si5

International Nuclear Information System (INIS)

Mazumdar, C.; Padalia, B.D.; Godart, C.

1994-01-01

Formation of two more new materials, Pr 2 Ni 3 Si 5 and Ho 2 Ni 3 Si 5 , of the series, R 2 Ni 3 Si 5 (R = rare earth and Y) and their magnetic properties are reported here. These materials crystallize in the orthorhombic U 2 Co 3 Si 5 -type structure (space group Ibam). Magnetic susceptibility measurement in the temperature range 5 K--300 K show that the compound Pr 2 Ni 3 Si 5 order antiferromagnetically at T N ∼ 8.5 K and Ho 2 Ni 3 Si 5 at ∼ 6 K. Considering T N (Gd 2 Ni 3 Si 5 ) ∼ 15 K, T N (Pr 2 Ni 3 Si 5 ) ∼ 8.5 K is rather high. The magnetic susceptibility of both of the materials, in the paramagnetic state, follows a Curie-Weiss law with effective moment close to that of the corresponding free trivalent rare earth ion

Structural studies of n-type nc-Si-QD thin films for nc-Si solar cells

Science.gov (United States)

Das, Debajyoti; Kar, Debjit

2017-12-01

A wide optical gap nanocrystalline silicon (nc-Si) dielectric material is a basic requirement at the n-type window layer of nc-Si solar cells in thin film n-i-p structure on glass substrates. Taking advantage of the high atomic-H density inherent to the planar inductively coupled low-pressure (SiH4 + CH4)-plasma, development of an analogous material in P-doped nc-Si-QD/a-SiC:H network has been tried. Incorporation of C in the Si-network extracted from the CH4 widens the optical band gap; however, at enhanced PH3-dilution of the plasma spontaneous miniaturization of the nc-Si-QDs below the dimension of Bohr radius (∼4.5 nm) further enhances the band gap by virtue of the quantum size effect. At increased flow rate of PH3, dopant induced continuous amorphization of the intrinsic crystalline network is counterbalanced by the further crystallization promoted by the supplementary atomic-H extracted from PH3 (1% in H2) in the plasma, eventually holding a moderately high degree of crystallinity. The n-type wide band gap (∼1.93 eV) window layer with nc-Si-QDs in adequate volume fraction (∼52%) could furthermore be instrumental as an effective seed layer for advancing sequential crystallization in the i-layer of nc-Si solar cells with n-i-p structure in superstrate configuration.

Ternary rare-earth bismuthides RE5SiBi 2 and RE5GeBi 2 ( RE=La-Nd, Gd-Er): Stabilization of the β-Yb 5Sb 3-type structure through tetrel substitution

Science.gov (United States)

Barry, Stephen D.; Tkachuk, Andriy V.; Bie, Haiying; Blanchard, Peter E. R.; Mar, Arthur

2011-01-01

Ternary bismuthides RE5TtBi 2 containing rare-earth ( RE=La-Nd, Gd-Er) and tetrel ( Tt=Si, Ge) atoms have been prepared by arc-melting of the elements followed by annealing at 800 °C. They adopt the β-Yb 5Sb 3-type structure (Pearson symbol o P32, space group Pnma, Z=4), as revealed through analysis by single-crystal X-ray diffraction on Ce 5Si 0.869(4)Bi 2.131(4) and powder X-ray diffraction on Ce 5GeBi 2. Cell parameters for the entire series lie in the ranges of a=12.8-11.8 Å, b=9.6-9.0 Å, and c=8.4-7.9 Å. Solid solubility in Ce 5Si xBi 3- x and Pr 5Si xBi 3- x (approximately 0.9≤ x≤1.2, depending on the RE member) is much more limited compared to the antimonides, consistent with a highly ordered structure in which the two possible anion sites are essentially segregated into a smaller one occupied by Tt atoms (CN7) and a larger one occupied by Bi atoms (CN9). Band structure calculations on La 5SiBi 2 confirm the importance of La-La bonding interactions near the Fermi level. X-ray photoelectron spectra support the presence of partially anionic Bi atoms, as indicated by a small negative binding energy shift relative to elemental Bi. The Ce and Pr members undergo magnetic transitions at low temperatures, possibly involving ferromagnetic interactions, that are strongly influenced by the nature of the Tt atom.

Magnetic ordering in the monoclinic structure of Nd5Si1.45Ge2.55 and Pr5Si1.5Ge2.5 studied by means of neutron powder diffraction

International Nuclear Information System (INIS)

Magen, C; Ritter, C; Morellon, L; Algarabel, P A; Ibarra, M R

2004-01-01

The compounds Nd 5 Si 1.45 Ge 2.55 and Pr 5 Si 1.5 Ge 2.5 have been investigated by means of magnetization measurements and neutron powder diffraction techniques. These alloys present a room-temperature monoclinic Gd 5 Si 2 Ge 2 -type crystallographic structure and, on cooling, both systems order ferromagnetically, at T C = 56 and 32 K, respectively, from a high-temperature paramagnetic to a low-temperature complex canted ferromagnetic state. The monoclinic crystallographic structure remains unchanged upon cooling down to 4 K, demonstrating the existence of a monoclinic ferromagnetic phase, and the possibility of a full decoupling of magnetic and crystallographic degrees of freedom in the 5:4 lanthanide intermetallic compounds

Structure and magnetism of the Sm{sub 7.5}Y{sub 2.5}Fe{sub 90−x}Si{sub x} (x=0.0, 2.5, 5.0, 7.5 and 10) alloys

Energy Technology Data Exchange (ETDEWEB)

Yang, W.Y.; Zhao, H.; Lai, Y.F.; Du, H.L.; Liu, S.Q.; Wang, C.S.; Han, J.Z.; Yang, Y.C. [State Key Laboratory for Mesoscopic Physics, School of Physics, Peking University, Beijing 100871 (China); Yu, X.; Qi, Z.Q. [GanZhou Fortune Electronic Co. Ltd., Jiangxi (China); Yang, J.B. [State Key Laboratory for Mesoscopic Physics, School of Physics, Peking University, Beijing 100871 (China); Collaborative Innovation Center of Quantum Matter, Beijing (China)

2017-03-15

Sm{sub 7.5}Y{sub 2.5}Fe{sub 90−x}Si{sub x} (x=0.0, 2.5, 5.0, 7.5 and 10) alloys have been prepared by arc melting method and equilibrium disordered Th{sub 2}Zn{sub 17}-type phases, (Sm,Y){sub 2−y}(Fe,Si){sub 17+2y}, with relative lower rare-earth content than the ordered Th{sub 2}Zn{sub 17}-type phase, have been obtained. Compared to the ordered Th{sub 2}Zn{sub 17}-type structure, the X-ray diffraction (XRD) intensity of the superstructure lines of the (Sm,Y){sub 2−y}(Fe,Si){sub 17+2y} decreases with the increase of the Si content and becomes zero for x=10. According to the refinement with the disordered Th{sub 2}Zn{sub 17}-type structure, the occupation rates of the R atoms at (3a) and (6c) sites tend to reach the same value with the increase of the Si content, and the lattice parameter a decreases while the lattice parameter c increases, leading to an increase of c/a. It was found that the atomic ratio of Fe(Si)/Sm(Y) in the disordered Th{sub 2}Zn{sub 17}-type structure increases with the increase of Si content and reaches a maximum value of 9.07 with x=10. The XRD diagrams of the magnetic aligned samples indicate that the easy magnetization direction (EMD) of the (Sm,Y){sub 2−y}(Fe,Si){sub 17+2y} is in the a-b plane, and the change of the EMD in a-b plane has also been observed due to the Si preferred site occupation. The remanence ratios along the easy direction are higher than that along hard direction; however, all the remanence ratios are less than 0.5. The magnetocrystalline anisotropy constant K increases first and then decreases with increasing the Si content. The Curie temperature of Sm{sub 7.5}Y{sub 2.5}Fe{sub 90−x}Si{sub x} alloys increases by about 65 K per Si. The saturation magnetization increases first and then decreases with a maximum of 135.5 emu/g observed for x=2.5 at room temperature. - Highlights: • Equilibrium disordered Th{sub 2}Zn{sub 17}-type phases (Sm,Y){sub 2-y}(Fe,Si){sub 17+2y} have been obtained. • The atomic ratio of

Improving High-Temperature Tensile and Low-Cycle Fatigue Behavior of Al-Si-Cu-Mg Alloys Through Micro-additions of Ti, V, and Zr

Science.gov (United States)

Shaha, S. K.; Czerwinski, F.; Kasprzak, W.; Friedman, J.; Chen, D. L.

2015-07-01

High-temperature tensile and low-cycle fatigue tests were performed to assess the influence of micro-additions of Ti, V, and Zr on the improvement of the Al-7Si-1Cu-0.5Mg (wt pct) alloy in the as-cast condition. Addition of transition metals led to modification of microstructure where in addition to conventional phases present in the Al-7Si-1Cu-0.5Mg base, new thermally stable micro-sized Zr-Ti-V-rich phases Al21.4Si4.1Ti3.5VZr3.9, Al6.7Si1.2TiZr1.8, Al2.8Si3.8V1.6Zr, and Al5.1Si35.4Ti1.6Zr5.7Fe were formed. The tensile tests showed that with increasing test temperature from 298 K to 673 K (25 °C to 400 °C), the yield stress and tensile strength of the present studied alloy decreased from 161 to 84 MPa and from 261 to 102 MPa, respectively. Also, the studied alloy exhibited 18, 12, and 5 pct higher tensile strength than the alloy A356, 354 and existing Al-Si-Cu-Mg alloy modified with additions of Zr, Ti, and Ni, respectively. The fatigue life of the studied alloy was substantially longer than those of the reference alloys A356 and the same Al-7Si-1Cu-0.5Mg base with minor additions of V, Zr, and Ti in the T6 condition. Fractographic analysis after tensile tests revealed that at the lower temperature up to 473 K (200 °C), the cleavage-type brittle fracture for the precipitates and ductile fracture for the matrix were dominant while at higher temperature fully ductile-type fracture with debonding and pull-out of cracked particles was identified. It is believed that the intermetallic precipitates containing Zr, Ti, and V improve the alloy performance at increased temperatures.

The H_6_0Si_6C_5_4 heterofullerene as high-capacity hydrogen storage medium

International Nuclear Information System (INIS)

Yong, Yongliang; Zhou, Qingxiao; Li, Xiaohong; Lv, Shijie

2016-01-01

With the great success in Si atoms doped C_6_0 fullerene and the well-established methods for synthesis of hydrogenated carbon fullerenes, this leads naturally to wonder whether Si-doped fullerenes are possible for special applications such as hydrogen storage. Here by using first-principles calculations, we design a novel high-capacity hydrogen storage material, H_6_0Si_6C_5_4 heterofullerene, and confirm its geometric stability. It is found that the H_6_0Si_6C_5_4 heterofullerene has a large HOMO-LUMO gap and a high symmetry, indicating it is high chemically stable. Further, our finite temperature simulations indicate that the H_6_0Si_6C_5_4 heterofullerene is thermally stable at 300 K. H_2 molecules would enter into the cage from the Si-hexagon ring because of lower energy barrier. Through our calculation, a maximum of 21 H_2 molecules can be stored inside the H_6_0Si_6C_5_4 cage in molecular form, leading to a gravimetric density of 11.11 wt% for 21H_2@H_6_0Si_6C_5_4 system, which suggests that the hydrogenated Si_6C_5_4 heterofullerene could be suitable as a high-capacity hydrogen storage material.

Low Z elements (Mg, Al, and Si) K-edge X-ray absorption spectroscopy in minerals and disordered systems

Science.gov (United States)

Ildefonse, Ph.; Calas, G.; Flank, A. M.; Lagarde, P.

1995-05-01

Soft X-ray absorption near edge spectroscopy (XANES) and extended X-ray absorption fine structure (EXAFS) spectroscopy have been performed at the Mg-, Al- and Si-K edges in order to establish the ability of this spectroscopy to derive structural information in disordered solids such as glasses and gels. Mg- and Al-K XANES are good structural probes to determine the coordination state of these elements in important minerals, glasses and gels. In a CaOsbnd MgOsbnd 2SiO2 glass Mg XANES spectra differ from that found in the crystalline equivalent, with a significant shift of the edge maxima to lower energy, consistent with a CN lower than 6. Mg-EXAFS on the same sample are in agreement and indicate the presence of 5-coordinated Mg with Mgsbnd O distances of 2.01Å. In aluminosilicate gels, Alsbnd K XANES has been used to investigate the [4]Al/Altotal ratios. These ratios increase as the Al/Si ratios decrease. Aluminosilicate and ferric-silicate gels were studied by using Sisbnd K edge XANES. XANES spectra differ significantly among the samples studied. Aluminosilicate gels with Al/Si= 1 present a different Al and Si local environment from that known in clay minerals with the same Al/Si ratio. The gel-to-mineral transformation thus implies a dissolution-recrystallization mechanism. On the contrary, ferric-silicate gel presents a Si local environment close to that found in nontronite which may be formed by a long range ordering of the initial gels.

Roymillerite, Pb24Mg9(Si9AlO28)(SiO4)(BO3)(CO3)10(OH)14O4, a new mineral: mineralogical characterization and crystal chemistry

Science.gov (United States)

Chukanov, Nikita V.; Jonsson, Erik; Aksenov, Sergey M.; Britvin, Sergey N.; Rastsvetaeva, Ramiza K.; Belakovskiy, Dmitriy I.; Van, Konstantin V.

2017-11-01

The new mineral roymillerite Pb24Mg9(Si9AlO28)(SiO4)(BO3)(CO3)10(OH)14O4, related to britvinite and molybdophyllite, was discovered in a Pb-rich assemblage from the Kombat Mine, Grootfontein district, Otjozondjupa region, Namibia, which includes also jacobsite, cerussite, hausmannite, sahlinite, rhodochrosite, barite, grootfonteinite, Mn-Fe oxides, and melanotekite. Roymillerite forms platy single-crystal grains up to 1.5 mm across and up to 0.3 mm thick. The new mineral is transparent, colorless to light pink, with a strong vitreous lustre. Cleavage is perfect on (001). Density calculated using the empirical formula is equal to 5.973 g/cm3. Roymillerite is optically biaxial, negative, α = 1.86(1), β ≈ γ = 1.94(1), 2 V (meas.) = 5(5)°. The IR spectrum shows the presence of britvinite-type tetrahedral sheets, {CO}3^{2 - }, {BO}3^{3 - }, and OH- groups. The chemical composition is (wt%; electron microprobe, H2O and CO2 determined by gas chromatography, the content of B2O3 derived from structural data): MgO 4.93, MnO 1.24, FeO 0.95, PbO 75.38, B2O3 0.50, Al2O3 0.74, CO2 5.83, SiO2 7.90, H2O 1.8, total 99.27. The empirical formula based on 83 O atoms pfu (i.e. Z = 1) is Pb24.12Mg8.74Mn1.25Fe0.94B1.03Al1.04C9.46Si9.39H14.27O83. The crystal structure was determined using single-crystal X-ray diffraction data. The new mineral is triclinic, space group P \\bar{1}, with a = 9.315(1), b = 9.316(1), c = 26.463(4) Å, α = 83.295(3)°, β = 83.308(3)°, γ = 60.023(2)°, V = 1971.2(6) Å3. The crystal structure of roymillerite is based built by alternating pyrophyllite-type TOT-modules Mg9(OH)8[(Si,Al)10O28] and I-blocks Pb24(OH)6O4(CO3)10(BO3,SiO4). The strongest lines of the powder X-ray diffraction pattern [ d, Å (I, %) ( hkl)] are: 25.9 (100) (001), 13.1 (11) (002), 3.480 (12) (017, 107, -115, 1-15), 3.378 (14) (126, 216), 3.282 (16) (-2-15, -1-25), 3.185 (12) (-116, 1-16), 2.684 (16) (031, 301, 030, 300, 332, -109, 0-19, 1-18), 2.382 (11) (0.0.-11). Roymillerite is

Unusual structures of MgF5- superhalogen anion

Science.gov (United States)

Anusiewicz, Iwona; Skurski, Piotr

2007-05-01

The vertical electron detachment energies (VDE) of three MgF5- anions were calculated at the outer valence Green function level with the 6-311 + G(3df) basis sets. This species was found to form unusual geometrical structures each of which corresponds to an anionic state exhibiting superhalogen nature. The global minimum structure was described as a system in which two central magnesium atoms are linked via symmetrical triangle formed by three fluorine atoms. Extremely large electron binding energies of these anions (exceeding 8.5 eV in all cases) were predicted and discussed.

Superconductivity in ternary rare earth transition metal silicides and germanides with the Sc5Co4Si10-type structure

International Nuclear Information System (INIS)

Berg, L.S.

1986-01-01

A systematic study of the superconducting and normal state properties of some ternary rare earth transition metal silicides and germanides of the Sc 5 Co 4 Si 10 0-type is reported. Low temperature heat capacity measurements indicate the presence of a complicated phonon density of states in these structurally complex compounds. A better description of the phonon spectrum of the high T/sub c/ materials Sc 5 Rh 4 Si 10 , Sc 5 Ir 4 Si 10 , and Y 5 Os 4 Ge 10 , given by a model proposed by Junod et al., is presented and discussed. The large values of ΔC/γ/sub n/T/sub c/ and the electron-phonon coupling constant for these high T/sub c/ compounds indicate that they are strong-coupled superconductors. Relative to other ternary superconductors, many of these materials have large Debye temperatures. DC electrical resistivity measurements on these compounds show resistivity behavior deviating from those exhibited by simple metals. The rho(T) data for Y 5 Ir 4 Si 10 , Lu 5 Ir 4 Si 10 , and Y 5 Os 4 Ge 10 , indicate the presence of anomalies. Static molar magnetic susceptibility measurements performed on these compounds indicate (1) a small effective magnetic moment of 0.26μ/sub B/ on the Co atom and (2) anomalous behaviors in the Lu 5 Rh 4 Si 10 , Lu 5 Ir 4 Si 10 , Y 5 Ir 4 Si 10 , Lu 5 Ir 4 Ge 10 , and Y 5 Rh 4 Ge 10 data. Lastly, upper critical magnetic field measurements were performed on Sc 5 Co 4 Si 10 , Sc 5 Rh 4 Si 10 , Sc 5 Ir 4 Si 10 , Lu 5 Rh 4 Si 10 , Lu 5 Ir 4 Si 10 , and Y 5 Os 4 Ge 10

Preliminary study of the characteristics of a high Mg containing Al-Mg-Si alloy

International Nuclear Information System (INIS)

Yan, F; McKay, B J; Fan, Z; Chen, M F

2012-01-01

An Al-20Mg-4Si high Mg containing alloy has been produced and its characteristics investigated. The as-cast alloy revealed primary Mg 2 Si particles evenly distributed throughout an α-Al matrix with a β-Al 3 Mg 2 fully divorced eutectic phase observed in interdendritic regions. The Mg 2 Si particles displayed octahedral, truncated octahedral, and hopper morphologies. Additions of Sb, Ti and Zr had a refining influence reducing the size of the Mg 2 Si from 52 ± 4 μm to 25 ± 0.1 μm, 35 ± 1 μm and 34 ± 1 μm respectively. HPDC tensile test samples could be produced with a 0.6 wt.% Mn addition which prevented die soldering. Solution heating for 1 hr was found to dissolve the majority of the Al 3 Mg 2 eutectic phase with no evidence of any effect on the primary Mg 2 Si. Preliminary results indicate that the heat treatment has a beneficial effect on the elongation and the UTS.

Microstructural Analysis of AM50/Mg2Si Cast Magnesium Composites

Directory of Open Access Journals (Sweden)

Malik M.A.

2012-12-01

Full Text Available AM50/Mg2Si composites containing 5.7 wt. % and 9.9 wt. %. of Mg2Si reinforcing phase were prepared successfully by casting method. The microstructure of the cast AM50/Mg2Si magnesium matrix composites was investigated by light microscopy and X-ray diffractometry (XRD. The microstructure of these composites was characterized by the presence of α-phase (a solid solution of aluminium in magnesium, Mg17Al12 (γ-phase, Al8Mn5 and Mg2Si. It was demonstrated that the Mg2Si phase was formed mainly as primary dendrites and eutectic.

Several new phases in RE-Mg-Ge systems (RE = rare earth metal) - syntheses, structures, and chemical bonding

International Nuclear Information System (INIS)

Suen, Nian-Tzu; Bobev, Svilen

2012-01-01

Reported are the synthesis and structural characterization of Ce_5Mg_8Ge_8 (its own structure type), CeMg_2_-_xGe_2_+_x (BaAl_4-type structure), RE_4Mg_7Ge_6 (RE = Ce-Nd, Sm; La_4Mg_7Ge_6-type structure), and RE_4Mg_5Ge_6 (RE = Ce, Pr; Tm_4Zn_5Ge_6-type structure). The structures of these compounds have been established by single-crystal and powder X-ray diffraction. These compounds are closely related to each other not only in their chemical compositions but also in their structures. A common structural feature of all are MgGe_4 tetrahedra, which are connected by corner- and/or edge-sharing into complex polyanionic frameworks with the rare-earth metal atoms filling the ''empty'' space. The structures are compared to known types of structures, and we have investigated the chemical bonding in Ce_5Mg_8Ge_8 with electronic structure calculations, which were carried out by the tight-bonding linear muffin-tin orbital (TB-LMTO) method. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Preparation of orthophosphate glasses in the MgO-CaO-SiO2-Nb2O5-P2O5 system.

Science.gov (United States)

Lee, Sungho; Ueda, Kyosuke; Narushima, Takayuki; Nakano, Takayoshi; Kasuga, Toshihiro

2017-01-01

Niobia/magnesia-containing orthophosphate invert glasses were successfully prepared in our earlier work. Orthophosphate groups in the glasses were cross-linked by tetrahedral niobia (NbO4) and magnesia. The aim of this work is to prepare calcium orthophosphate invert glasses containing magnesia and niobia, incorporating silica, and to evaluate their structures and releasing behaviors. The glasses were prepared by melt-quenching, and their structures and ion-releasing behaviors were evaluated. 31P solid-state nuclear magnetic resonance (NMR) and Raman spectroscopies showed the glasses consist of orthophosphate (PO4), orthosilicate (SiO4), and NbO4 tetrahedra. NbO4 and MgO in the glasses act as network formers. By incorporating SiO2 into the glasses, the chemical durability of the glasses was slightly improved. The glasses reheated at 800°C formed the orthophosphate crystalline phases, such as β-Ca3(PO4)2, Mg3(PO4)2 and Mg3Ca3(PO4)4 in the glasses. The chemical durability of the crystallized glasses was slightly improved. Orthosilicate groups and NbO4 in the glasses coordinated with each other to form Si-O-Nb bonds. The chemical durability of the glasses was slightly improved by addition of SiO2, since the field strength of Si is larger than that of Ca or Mg.

Structural aspects of B2O3-substituted (PbO)0.5(SiO2)0.5 glasses

International Nuclear Information System (INIS)

Sudarsan, V.; Kulshreshtha, S.K.; Shrikhande, V.K.; Kothiyal, G.P.

2002-01-01

Lead borosilicate glasses having general formulae (PbO) 0.5-x (SiO 2 ) 0.5 (B 2 O 3 ) x with 0.0≤x≤0.4 and (PbO) 0.5 (SiO 2 ) 0.5-y (B 2 O 3 ) y with 0.0≤y≤0.5 have been prepared by a conventional melt-quench method and characterized by 29 Si, 11 B magic angle spinning (MAS) NMR techniques and infrared spectroscopy, as regards their structural features. From 29 Si NMR results, it has been inferred that with increasing concentration of boron oxide, (PbO) 0.5-x (SiO 2 ) 0.5 (B 2 O 3 )x glasses exhibit a systematic increase in the number of Q 4 structural units of Si at the expense of Q 2 structural units, along with the formation of Si-O-B linkages. On the other hand, for (PbO) 0.5 (SiO 2 ) 0.5-y (B 2 O 3 ) y glasses, there is no direct interaction between SiO 2 and B 2 O 3 in the glass network, as revealed by the 29 Si MAS NMR studies. Boron exists in both trigonal and tetrahedral configurations for these two series of glasses and for the (PbO) 0.5 (SiO 2 ) 0.5-y (B 2 O 3 ) y series of glasses; the relative concentration of these two structural units remains almost constant with increasing B 2 O 3 concentration. In contrast, for (PbO) 0.5-x (SiO 2 ) 0.5 (B 2 O 3 ) x glasses, there is a slight increase in the number of BO 3 structural units above x = 0.2, as there is a competition between SiO 2 and B 2 O 3 for interaction with Pb 2+ , thereby leading to the formation of BO 3 structural units. For both series of glasses, the thermal expansion coefficient is found to decrease with increasing B 2 O 3 concentration, the effect being more pronounced for the (PbO) 0.5-x (SiO 2 ) 0.5 (B 2 O 3 ) x series of glasses due to the increased concentration of Q 4 structural units of silicon and better cross-linking as a result of the formation of Si-O-B-type linkages. (author)

Microstructure, mechanical properties and bio-corrosion properties of Mg-Si(-Ca, Zn) alloy for biomedical application.

Science.gov (United States)

Zhang, Erlin; Yang, Lei; Xu, Jianwei; Chen, Haiyan

2010-05-01

Mg-Si alloy was investigated for biomedical application due to the biological function of Si in the human body. However, Mg-Si alloy showed a low ductility due to the presence of coarse Mg(2)Si. Ca and Zn elements were used to refine and modify the morphology of Mg(2)Si in order to improve the corrosion resistance and the mechanical properties. The cell toxicity of Mg, Zn and Ca metals was assessed by an MTT test. The test results indicated that increasing the concentrations of Mg, Zn and Ca ions did not cause cell toxicity, which showed that the release of these three elements would not lead to cell toxicity. Then, microstructure, mechanical properties and bio-corrosion properties of as-cast Mg-Si(-Ca, Zn) alloys were investigated by optical microscopy, scanning electronic microscopy, mechanical properties testing and electrochemical measurement. Ca element can slightly refine the grain size and the morphology Mg(2)Si phase in Mg-Si alloy. The bio-corrosion resistance of Mg-Si alloys was improved by the addition of Ca due to the reduction and refinement of Mg(2)Si phase; however, no improvement was observed in the strength and elongation. The addition of 1.6% Zn to Mg-0.6Si can modify obviously the morphology of Mg(2)Si phase from course eutectic structure to a small dot or short bar shape. As a result, tensile strength, elongation and bio-corrosion resistance were all improved significantly; especially, the elongation improved by 115.7%. It was concluded that Zn element was one of the best alloying elements of Mg-Si alloy for biomedical application. Copyright (c) 2009 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Synthesis and structural characterization of Al4SiC4-homeotypic aluminum silicon oxycarbide, [Al4.4Si0.6][O1.0C2.0]C

International Nuclear Information System (INIS)

Kaga, Motoaki; Iwata, Tomoyuki; Nakano, Hiromi; Fukuda, Koichiro

2010-01-01

A new quaternary layered oxycarbide, [Al 4.39(5) Si 0.61(5) ] Σ5 [O 1.00(2) C 2.00(2) ] Σ3 C, has been synthesized and characterized by X-ray powder diffraction, transmission electron microscopy and energy dispersive X-ray spectroscopy (EDX). The title compound was found to be hexagonal with space group P6 3 /mmc, Z=2, and unit-cell dimensions a=0.32783(1) nm, c=2.16674(7) nm and V=0.20167(1) nm 3 . The atom ratios Al:Si were determined by EDX, and the initial structural model was derived by the direct methods. The final structural model showed the positional disordering of one of the three types of Al/Si sites. The maximum-entropy methods-based pattern fitting (MPF) method was used to confirm the validity of the split-atom model, in which conventional structure bias caused by assuming intensity partitioning was minimized. The reliability indices calculated from the MPF were R wp =3.73% (S=1.20), R p =2.94%, R B =1.04% and R F =0.81%. The crystal was an inversion twin. Each twin-related individual was isostructural with Al 4 SiC 4 (space group P6 3 mc, Z=2). - Graphical abstract: A new oxycarbide discovered in the Al-Si-O-C system, Al 4 SiC 4 -homeotypic [Al 4.4 Si 0.6 ][O 1.0 C 2.0 ]C. The crystal is an inversion twin, and hence the structure is represented by a split-atom model. The three-dimensional electron density distributions are determined by the maximum-entropy methods-based pattern fitting, being consistent with the disordered structural model.

Surface reactivity and hydroxyapatite formation on Ca5MgSi3O12 ceramics in simulated body fluid

Science.gov (United States)

Xu, Jian; Wang, Yaorong; Huang, Yanlin; Cheng, Han; Seo, Hyo Jin

2017-11-01

In this work, the new calcium-magnesium-silicate Ca5MgSi3O12 ceramic was made via traditional solid-state reaction. The bioactivities were investigated by immerging the as-made ceramics in simulated body fluid (SBF) for different time at body temperature (37 °C). Then the samples were taken to measure X-ray powder diffraction (XRD), Scanning electron microscopy (SEM), X-ray energy-dispersive spectra (EDS), and Fourier transform infrared spectroscopy (FT-IR) measurements. The bone-like hydroxyapatite nanoparticles formation was observed on the ceramic surfaces after the immersion in SBF solutions. Ca5MgSi3O12 ceramics possess the Young's modulus and the bending strength and of 96.3 ± 1.2 GPa and 98.7 ± 2.3 MPa, respectively. The data suggest that Ca5MgSi3O12 ceramics can quickly induce HA new layers after soaking in SBF. Ca5MgSi3O12 ceramics are potential to be used as biomaterials for bone-tissue repair. The cell adherence and proliferation experiments are conducted confirming the reliability of the ceramics as a potential candidate.

Calcium substitution in rare-earth metal germanides with the hexagonal Mn{sub 5}Si{sub 3} structure type. structural characterization of the extended series RE{sub 5–x}Ca{sub x}Ge{sub 3} (RE=Rare-earth metal)

Energy Technology Data Exchange (ETDEWEB)

Suen, Nian-Tzu; Broda, Matthew; Bobev, Svilen, E-mail: bobev@udel.edu

2014-09-15

Reported are the synthesis and the structural characterization of an extended family of rare-earth metal–germanides with a general formula RE{sub 5–x}Ca{sub x}Ge{sub 3} (RE=Y, Ce–Nd, Sm, Gd–Tm and Lu; x<2). All twelve phases are isotypic, crystallizing with the Mn{sub 5}Si{sub 3} structure type (Pearson index hP16, hexagonal space group P6{sub 3}/mcm); they are the Ca-substituted variants of the corresponding RE{sub 5}Ge{sub 3} binaries. Across the series, despite some small variations in the Ca-uptake, the unit cell volumes decrease monotonically, following the lanthanide contraction. Temperature dependent DC magnetization measurements reveal paramagnetic behavior in the high temperature range, and the obtained effective moments are consistent with free-ion RE{sup 3+} ground state, as expected from prior studies of the binary RE{sub 5}Ge{sub 3} phases. The onset of magnetic ordering is observed in the low temperature range, and complex magnetic interactions (ferromagnetic/ferrimagnetic) can be inferred, different from the binary phases RE{sub 5}Ge{sub 3}, which are known as antiferromagnetic. In order to understand the role of Ca in the bonding, the electronic structures of the La{sub 5}Ge{sub 3} and the hypothetical compounds La{sub 2}Ca{sub 3}Ge{sub 3} and La{sub 3}Ca{sub 2}Ge{sub 3} with ordered metal atoms are compared and discussed. - Graphical abstract: The family of rare-earth metal–calcium–germanides with the general formula RE{sub 5–x}Ca{sub x}Ge{sub 3} (RE=Y, Ce–Nd, Sm, Gd–Tm and Lu) crystallize in the hexagonal space group P6{sub 3}/mcm (No. 193, Pearson symbol hP16) with a structure that is a variant of the Mn{sub 5}Si{sub 3} structure type. - Highlights: • The newly synthesized RE{sub 5–x}Ca{sub x}Ge{sub 3} (RE=Y, Ce–Nd, Sm, Gd–Tm and Lu) constitute an extended family. • The structure is a substitution variant of the hexagonal Mn{sub 5}Si{sub 3} structure type. • Ca-uptake is the highest in the early members, and

Sintering and crystallization behavior of CaMgSi2O6-NaFeSi2O6 based glass-ceramics

International Nuclear Information System (INIS)

Goel, Ashutosh; Kansal, Ishu; Ferrari, Anna Maria; Pascual, Maria J.; Barbieri, Luisa; Bondioli, Federica; Lancellotti, Isabella; Ribeiro, Manuel J.; Ferreira, Jose M. F.

2009-01-01

We report on the synthesis, sintering, and crystallization behaviors of a glass with a composition corresponding to 90 mol % CaMgSi 2 O 6 -10 mol % NaFeSi 2 O 6 . The investigated glass composition crystallized superficially immediately after casting of the melt and needs a high cooling rate (rapid quenching) in order to produce an amorphous glass. Differential thermal analysis and hot-stage microscopy were employed to investigate the glass forming ability, sintering behavior, relative nucleation rate, and crystallization behavior of the glass composition. The crystalline phase assemblage in the glass-ceramics was studied under nonisothermal heating conditions in the temperature range of 850-950 deg. C in both air and N 2 atmosphere. X-ray diffraction studies adjoined with the Rietveld-reference intensity ratio method were employed to quantify the amount of crystalline phases, while electron microscopy was used to shed some light on the microstructure of the resultant glass-ceramics. Well sintered glass-ceramics with diopside as the primary crystalline phase were obtained where the amount of diopside varied with the heating conditions.

Structure of Na2O·MO·SiO2·CaF2 (M=Mg, Ca) oxyfluoride glasses

International Nuclear Information System (INIS)

Cheng Jinshu; Deng Wei; Wang Mitang

2012-01-01

(9-x)CaO·xMgO·15Na 2 O·60SiO 2 ·16CaF 2 (x=0, 2, 4, 6, and 9) oxyfluoride glasses were prepared. Utilizing the Raman scattering technique together with 29 Si and 19 F MAS NMR, the effect of alkaline metal oxides on the Q species of glass was characterized. Raman results show that as magnesia is added at the expense of calcium oxide, the disproportional reaction Q 3 →Q 4 +Q 2 (Q n is a SiO 4 tetrahedron with n bridging oxygens) prompted due to the high ionic field strength of magnesia, magnesium oxide entered into the silicate network as tetrahedral MgO 4 , and removed other modifying ions for charge compensation. This reaction was confirmed by 29 Si MAS NMR. 19 F MAS NMR results show that fluorine exists in the form of mixed calcium sodium fluoride species in all glasses and no Si-F bonds were formed. As CaO is gradually replaced by MgO (x=6, 9), a proportion of the magnesium ions combines with fluorine to form the MgF + species. Meanwhile, some part of Na + ions complex F - in the form of F-Na(6).

Site selective, time and temperature dependent spectroscopy of Eu{sup 3+} doped apatites (Mg,Ca,Sr){sub 2}Y{sub 8}Si{sub 6}O{sub 26}

Energy Technology Data Exchange (ETDEWEB)

Jansen, T., E-mail: t.jansen@fh-muenster.de [Münster University of Applied Sciences, Stegerwaldstrasse 39, 48565 Steinfurt (Germany); Jüstel, T. [Münster University of Applied Sciences, Stegerwaldstrasse 39, 48565 Steinfurt (Germany); Kirm, M.; Mägi, H.; Nagirnyi, V.; Tõldsepp, E.; Vielhauer, S. [Institute of Physics, University of Tartu, W. Ostwald Str. 1, 50411 Tartu (Estonia); Khaidukov, N.M. [N. S. Kurnakov Institute of General and Inorganic Chemistry, 31 Leninskiy Prospekt, 119991 Moscow (Russian Federation); Makhov, V.N. [P.N. Lebedev Physical Institute, 53 Leninskiy Prospekt, 119991 Moscow (Russian Federation)

2017-06-15

This work concerns the optical properties of alkaline earth yttrium apatites according to the composition AE{sub 2}Y{sub 8}Si{sub 6}O{sub 26} (AE=Mg, Ca, Sr) doped with Eu{sup 3+}, which are materials of interest for LED applications. Using a multistep preparation route, which includes hydrothermal synthesis of precursors for solid state reaction, ceramic samples were prepared and their structural and optical properties characterised. More particularly, this work relates to site-selective spectroscopy, since the compounds comprise two distinguishable crystallographic sites within the host structure, where Eu{sup 3+} can be substituted. It also describes the temperature dependent photoluminescence, which thermal quenching temperature (T{sub 1/2}) for Sr{sub 2}Y{sub 8}Si{sub 6}O{sub 26}:Eu{sup 3+} and Ca{sub 2}Y{sub 8}Si{sub 6}O{sub 26}:Eu{sup 3+} is in the range of 561 K and 591 K respectively, whereas Mg{sub 2}Y{sub 8}Si{sub 6}O{sub 26}:Eu{sup 3+} shows bi-sigmoidal quenching behaviour in the range between 210 and 452 K.

The influence of SiO2 Addition on 2MgO-Al2O3-3.3P2O5 Glass

DEFF Research Database (Denmark)

Larsen, P.H.; Poulsen, F.W.; Berg, Rolf W.

1999-01-01

2MgO-Al2O3-3.3P2O5 glasses with increasing amounts of SiO2 are considered for sealing applications in Solid Oxide Fuel Cells (SOFC). The change in chemical durability under SOFC anode conditions and the linear thermal expansion is measured as functions of the SiO2 concentration. Raman spectroscopy...... analysis of the glasses reveals no sign of important changes in the glass structure upon SiO2 addition. Some increase in glass durability with SiO2 concentration is reported and its cause is discussed....

Pulsed current activated synthesis and rapid consolidation of a nanostructured Mg2Al4Si5O18 and its mechanical properties

Science.gov (United States)

Shon, In-Jin; Kang, Hyun-Su; Doh, Jung-Mann; Yoon, Jin-Kook

2015-03-01

Nanocrystalline materials have received much attention as advanced engineering materials, with improved mechanical properties. Attention has been directed to the application of nanomaterials, as they possess excellent mechanical properties (high strength, high hardness, excellent ductility and toughness). A singlestep synthesis and consolidation of nanostructured Mg2Al4Si5O18 was achieved by pulsed current heating, using the stoichiometric mixture of MgO, Al2O3 and SiO2 powders. Before sintering, the powder mixture was high-energy ball milled for 10 h. From the milled powder mixture, a highly dense nanostructured Mg2Al4Si5O18 compound could be obtained within one minute, under the simultaneous application of 80 MPa pressure, and a pulsed current. The advantage of this process is that it allows an instant densification to the near theoretical density, while sustaining the nanosized microstructure of raw powders. The sintering behavior, microstructure and mechanical properties of Mg2Al4Si5O18 were evaluated. The fracture toughness of a nanostructured Mg2Al4Si5O18 compound was higher than that of sub-micron Mg2Al4Si5O18 compound.

Bismuth zinc vanadate, BiZn2VO6: New crystal structure type and electronic structure

International Nuclear Information System (INIS)

Eliziario Nunes, Sayonara; Wang, Chun-Hai; So, Karwei; Evans, John S.O.; Evans, Ivana Radosavljević

2015-01-01

We report a combined experimental and computational study of the crystal structure and electronic properties of bismuth zinc vanadate, BiZn 2 VO 6 , known for its visible light photocatalytic activity. The crystal structure has been solved from laboratory powder X-ray diffraction data using the repeated minimisations from random starting values method. BiZn 2 VO 6 adopts a new structure type, based on the following building blocks: corner- and edge-sharing ZnO 4 tetrahedra, ZnO 6 octahedra and VO 4 tetrahedra, and Bi 2 O 12 dimers. It is the only known member of the BiM 2 AO 6 (M=Pb, Ca, Cd, Mn, Zn, Mg, Cu; A=V, P, As) family which does not appear to be structurally closely related to others. The electronic structure of BiZn 2 VO 6 , calculated by DFT methods, shows that it is an indirect gap semiconductor with a calculated band gap of 1.6 eV, which compares favourably to the experimentally measured value of 2.4 eV. - Graphical abstract: The crystal structure of BiZn 2 VO 6 , a new structure type in the BiM 2 AO 6 (M=Mg, Ca, Cd, Cu, Pb, Mn, Zn; A=V, P, As) family. - Highlights: • Structure solution from PXRD data by repeated minimisations from random starting values. • New structure type in the BiM 2 AO 6 (M=Pb, Ca, Cd, Mn, Zn, Mg, Cu; A=V, P, As) family. • Electronic structure calculation

Structural and fluorescence properties of Ni:MgO-SiO2 particles synthesized by flame spray pyrolysis

International Nuclear Information System (INIS)

Suzuki, Takenobu; Ohishi, Yasutake; Tani, Takao

2006-01-01

Structural and fluorescence properties of flame spray-synthesized Ni 1 mol%-doped MgO-SiO 2 nano-particles (MgO:SiO 2 = 100:0, 50:50, 25:75 and 0:100 in mol%) were investigated as a first step to prepare transparent materials containing Ni:MgO for optical gain media. Polyhedral aggregates of primary particles with diameters of 8-19 nm were obtained for all compositions. The 100MgO particles were single crystalline and showed the fluorescences (centered at 1260 and 1320 nm) and lifetime (3.8 ms) similar to those of solid state-synthesized Ni:MgO polycrystalline powder under laser excitation at 976 nm, suggesting Ni ions incorporated in MgO

The Effect of Ultrasonic Melt Treatment on the Microstructure and Mechanical Properties of Al-7Si-0.35Mg Casting Alloys

International Nuclear Information System (INIS)

Kim, Soo-Bae; Cho, Young-Hee; Lee, Jung-Moo; Jung, Jae-Gil; Lim, Su Gun

2017-01-01

The effect of ultrasonic melt treatment (UST) on the microstructure and mechanical properties of Al-7Si-0.35Mg (A356) casting alloys was investigated. The particular aim of this study was to analyze the mechanism involved in the strengthening of the A356 alloys when fabricated by UST. The UST had little effect on the sizes of the α-Al grain and eutectic Si at a melt temperature of 750 ℃, and the yield strength of the A356 alloy was increased by UST by approximately 16%. After T6 heat treatment, however, both alloys prepared with and without UST had similar levels of yield strength. These results are possibly associated with a change in the type and the volume fraction of intermetallics due to UST. UST greatly reduced the volume fractions of the intermetallics which were formed upon solidification, resulting in alloys with predominantly β-Al_5FeSi instead of π-Al_8FeMg_3Si_6. However, T6 heat treatment, especially a solid solution treatment at 530 ℃ for 8 hours, led to the dissolving of intermetallics such as Mg_2Si and π -Al_8FeMg_3Si_6 and as a result their volume fractions were further reduced to similar levels in both alloys with and without UST.

The Effect of Ultrasonic Melt Treatment on the Microstructure and Mechanical Properties of Al-7Si-0.35Mg Casting Alloys

Energy Technology Data Exchange (ETDEWEB)

Kim, Soo-Bae; Cho, Young-Hee; Lee, Jung-Moo; Jung, Jae-Gil [Korea Institute of Materials Science, Changwon (Korea, Republic of); Lim, Su Gun [Gyeongsang National University, Jinju (Korea, Republic of)

2017-04-15

The effect of ultrasonic melt treatment (UST) on the microstructure and mechanical properties of Al-7Si-0.35Mg (A356) casting alloys was investigated. The particular aim of this study was to analyze the mechanism involved in the strengthening of the A356 alloys when fabricated by UST. The UST had little effect on the sizes of the α-Al grain and eutectic Si at a melt temperature of 750 ℃, and the yield strength of the A356 alloy was increased by UST by approximately 16%. After T6 heat treatment, however, both alloys prepared with and without UST had similar levels of yield strength. These results are possibly associated with a change in the type and the volume fraction of intermetallics due to UST. UST greatly reduced the volume fractions of the intermetallics which were formed upon solidification, resulting in alloys with predominantly β-Al{sub 5}FeSi instead of π-Al{sub 8}FeMg{sub 3}Si{sub 6}. However, T6 heat treatment, especially a solid solution treatment at 530 ℃ for 8 hours, led to the dissolving of intermetallics such as Mg{sub 2}Si and π -Al{sub 8}FeMg{sub 3}Si{sub 6} and as a result their volume fractions were further reduced to similar levels in both alloys with and without UST.

Polycrystalline Mg2Si thin films: A theoretical investigation of their electronic transport properties

International Nuclear Information System (INIS)

Balout, H.; Boulet, P.; Record, M.-C.

2015-01-01

The electronic structures and thermoelectric properties of a polycrystalline Mg 2 Si thin film have been investigated by first-principle density-functional theory (DFT) and Boltzmann transport theory calculations within the constant-relaxation time approximation. The polycrystalline thin film has been simulated by assembling three types of slabs each having the orientation (001), (110) or (111) with a thickness of about 18 Å. The effect of applying the relaxation procedure to the thin film induces disorder in the structure that has been ascertained by calculating radial distribution functions. For the calculations of the thermoelectric properties, the energy gap has been fixed at the experimental value of 0.74 eV. The thermoelectric properties, namely the Seebeck coefficient, the electrical conductivity and the power factor, have been determined at three temperatures of 350 K, 600 K and 900 K with respect to both the energy levels and the p-type and n-type doping levels. The best Seebeck coefficient is obtained at 350 K: the S yy component of the tensor amounts to about ±1000 μV K −1 , depending on the type of charge carriers. However, the electrical conductivity is much too small which results in low values of the figure of merit ZT. Structure–property relationship correlations based on directional radial distribution functions allow us to tentatively draw some explanations regarding the anisotropy of the electrical conductivity. Finally, the low ZT values obtained for the polycrystalline Mg 2 Si thin film are paralleled with those recently reported in the literature for bulk chalcogenide glasses. - Graphical abstract: Structure of the polycrystalline thin film of Mg 2 Si. - Author-Highlights: • Polycrystalline Mg 2 Si film has been modelled by DFT approach. • Thermoelectric properties have been evaluated by semi-classical Boltzmann theory. • The structure was found to be slightly disordered after relaxation. • The highest value of Seebeck

Binding energy, phonon spectra and thermodynamic properties of elements with type structures A1 (Al, Cu), A2 (V, Ti2), A3 (Mg, Tiβ), A4 (Si, Sn)

International Nuclear Information System (INIS)

Sirota, N.N.; Soshnina, T.M.; Sirota, I.M.; Sokolovskij, T.D.

2001-01-01

One calculated dependences of binding energy on spacing between the nearest atoms of Al and Cu elements with A 1 type structure, of V and Ti α elements with A 2 type structure, of Mg and Ti β elements with A 3 type structure, Si and Sn elements with A 4 type structure. To calculate one applied the methods based on the Thomas-Fermi statistic theory of atom. The derived dependences were approximated using the expression in the form of the Mie-Grueneisen potential. On the basis of the Born-von-Karman model of solid body one calculated the phonon spectra using which one determined temperature dependences of specific heat, free and internal energy of the investigated elements. The calculated values of energy of atomization, equilibrium closest interatomic spacing and temperature dependences of specific heat are in compliance with the experimental data [ru

Dramatically enhanced ultraviolet photosensing mechanism in a n-ZnO nanowires/i-MgO/n-Si structure with highly dense nanowires and ultrathin MgO layers

International Nuclear Information System (INIS)

Kim, Dong Chan; Jung, Byung Oh; Cho, Hyung Koun; Lee, Ju Ho; Lee, Jeong Yong; Lee, Jun Hee

2011-01-01

This study reports that the visible-blind ultraviolet (UV) photodetecting properties of ZnO nanowire based photodetectors were remarkably improved by introducing ultrathin insulating MgO layers between the ZnO nanowires and Si substrates. All layers were grown without pause by metal organic chemical vapor deposition and the density and vertical arrangement of the ZnO nanowires were strongly dependent on the thickness of the MgO layers. The sample in which an MgO layer with a thickness of 8 nm was inserted had high density nanowires with a vertical alignment and showed dramatically improved UV photosensing performance (photo-to-dark current ratio = 1344.5 and recovery time = 350 ms). The photoresponse spectrum revealed good visible-blind UV detectivity with a sharp cut off at 378 nm and a high UV/visible rejection ratio. A detailed discussion regarding the developed UV photosensing mechanism from the introduction of the i-MgO layers and highly dense nanowires in the n-ZnO nanowires/i-MgO/n-Si substrates structure is presented in this work.

Corrosion behaviour of groundnut shell ash and silicon carbide hybrid reinforced Al-Mg-Si alloy matrix composites in 3.5% NaCl and 0.3M H2SO4 solutions

Directory of Open Access Journals (Sweden)

Kenneth Kanayo ALANEME

2015-05-01

Full Text Available The corrosion behaviour of Al-Mg-Si alloy based composites reinforced with groundnut shell ash (GSA and silicon carbide (SiC was investigated. The aim is to assess the corrosion properties of Al-Mg-Si alloy based hybrid reinforced composites developed using different mix ratios of GSA (a cheaply processed agro waste derivative which served as partial replacement for SiC and SiC as reinforcing materials. GSA and SiC mixed in weight ratios 0:1, 1:3, 1:1, 3:1, and 1:0 were utilized to prepare 6 and 10 wt% of the reinforcing phase with Al‐Mg‐Si alloy as matrix using two‐step stir casting method. Mass loss and corrosion rate measurement was used to study the corrosion behaviour of the produced composites in 3.5% NaCl and 0.3M H2SO4 solutions. The results show that the Al-Mg-Si alloy based composites containing 6 and 10 wt% GSA and SiC in varied weight ratios were resistant to corrosion in 3.5% NaCl solution. The composites were however more susceptible to corrosion in 0.3M H2SO4 solution (in comparison with the 3.5% NaCl solution. It was noted that the Al-Mg-Si/6 wt% GSA-SiC hybrid composite grades containing GSA and SiC in weight ratio 1:3 and 3:1 respectively exhibited superior corrosion resistance in the 0.3M H2SO4 solution compared to other composites produced for this series. In the case of the Al-Mg-Si/10 wt% GSA-SiC hybrid composite grades, the corrosion resistance was relatively superior for the composites containing a greater weight ratio of GSA (75% and 100% in 0.3M H2SO4 solution.

[Effects of different concentrations of MgSiF(6) as electrolyte for micro-arc oxidation on the bond strength between titanium and porcelain].

Science.gov (United States)

Yuan, M J; Zhang, S J; Liu, J; Tan, F

2018-02-09

Objective: To investigate the effects of different concentrations of MgSiF(6) as electrolyte on the bond strength between titanium and porcelain after micro-arc oxidation (MAO) treatment and screen the suitable concentration of MgSiF(6) that can improve the bond strength between titanium and porcelain. Methods: Four different concentrations of MgSiF(6) (10, 20, 30, 40 g/L) were chosen as MAO reaction solutions. Sandblasting treatment was selected as a control group. After porcelain was fused to each specimen, titanium-porcelain bond strengths were evaluated by the three-point bending test according to ISO 9693. Scanning electron microscopy (SEM) and energy-dispersive spectroscopy (EDS) were adopted to evaluate the morphologies and elemental compositions of both the MAO coatings and the interfaces of the titanium-porcelain restoration. Results: The surface of titanium specimen in the control group was sharp and rough, while specimens in both 10 g/L group and 20 g/L group were porous and homogeneous. However, the pores found on the specimens in the latter group were larger in diameter (approximately 1.0-2.0 μm) than those on the former one (0.2-0.5 μm). The bond strengths of the control group and the experimental groups (10, 20, 30, 40 g/L MgSiF(6)) were (27.08±3.16), (38.18±2.65), (44.75±2.21), (36.44±2.04), (31.04±2.59) MPa, respectively. All the experimental groups showed higher bond strengths than the control group did ( Pporcelain were tight and compact in the 20 g/L group, while different amounts of pores and cracks were visible in the other groups. Additionally, after the three-point bending test, few residual porcelains could be observed on the surfaces of specimens in the control group. Conclusions: MAO treatment with 20 g/L MgSiF(6) on titanium can improve bonding strength between titanium and porcelain.

Synthesis, crystal structure and optical properties of BiMgVO 5

Science.gov (United States)

Benmokhtar, S.; El Jazouli, A.; Chaminade, J. P.; Gravereau, P.; Guillen, F.; de Waal, D.

2004-11-01

The new vanadate BiMgVO 5 has been prepared and its structure has been determined by single crystal X-ray diffraction: space group P21/n, a=7.542(6) Å, b=11.615(5) Å, c=5.305(3) Å, β=107.38(5)°, wR2=0.0447, R=0.0255. The structure consists of [Mg 2O 10] and [Bi 2O 10] dimers sharing their corners with [VO 4] tetrahedra. The ranges of bond lengths are 2.129-2.814 Å for Bi-O; 2.035-2.167 Å for Mg-O and 1.684-1.745 Å for V-O. V-O bond lengths determined from Raman band wavenumbers are between 1.679 and 1.747 Å. An emission band overlapping the entire visible region with a maximum around 650 nm is observed.

Influence of Al grain structure on Fe bearing intermetallics during DC casting of an Al-Mg-Si alloy

OpenAIRE

Kumar, S.; O'Reilly, K.A.Q.

2016-01-01

207 mm diameter direct chill (DC) cast billets of 6063 aluminium-magnesium-silicon (Al-Mg-Si) alloy were produced with various different primary aluminium (α-Al) grain structures including feathery-dendrites, equiaxed-dendrites and equiaxed-globular morphologies. To control the α-Al grain structure (grain morphology and grain size) an intensive shearing melt conditioning technique and Al-5Ti-1B grain refiner were used. For the first time, due to the variety of controlled microstructures produ...

Electride and superconductivity behaviors in Mn5Si3-type intermetallics

Science.gov (United States)

Zhang, Yaoqing; Wang, Bosen; Xiao, Zewen; Lu, Yangfan; Kamiya, Toshio; Uwatoko, Yoshiya; Kageyama, Hiroshi; Hosono, Hideo

2017-08-01

Electrides are unique in the sense that they contain localized anionic electrons in the interstitial regions. Yet they exist with a diversity of chemical compositions, especially under extreme conditions, implying generalized underlying principles for their existence. What is rarely observed is the combination of electride state and superconductivity within the same material, but such behavior would open up a new category of superconductors. Here, we report a hexagonal Nb5Ir3 phase of Mn5Si3-type structure that falls into this category and extends the electride concept into intermetallics. The confined electrons in the one-dimensional cavities are reflected by the characteristic channel bands in the electronic structure. Filling these free spaces with foreign oxygen atoms serves to engineer the band topology and increase the superconducting transition temperature to 10.5 K in Nb5Ir3O. Specific heat analysis indicates the appearance of low-lying phonons and two-gap s-wave superconductivity. Strong electron-phonon coupling is revealed to be the pairing glue with an anomalously large ratio between the superconducting gap Δ0 and Tc, 2Δ0/kBTc = 6.12. The general rule governing the formation of electrides concerns the structural stability against the cation filling/extraction in the channel site.

The effect of Si on precipitation in Al–Cu–Mg alloy with a high Cu/Mg ratio

International Nuclear Information System (INIS)

Liu, L.; Chen, J.H.; Wang, S.B.; Liu, C.H.; Yang, S.S.; Wu, C.L.

2014-01-01

The precipitations in an Al–5.0Cu–0.3Mg (wt%) alloy and an Al–5.0Cu–0.3Mg–0.3Si (wt%) alloy have been systematically investigated by high-angle annular dark-field scanning transmission electron microscopy. The results are compared to clarify the effect of Si addition. The nucleation and growth process of θ′ (Al 2 Cu) phase in Si-containing alloy during isothermal ageing at 180 °C is revealed in detail. The formation of Q″-type precipitates, on which the θ′ precursors nucleate heterogeneously, contributes to the considerable increase in the ageing kinetics and higher strength at the early ageing stage. The thickening of the θ′ precipitate is largely confined due to the rather small size of fine Q″-type precipitate. As a result, a large proportion of θ′ phase precipitates possess a specific thickness of 2c θ′ and change slightly during the entire observed duration of ageing. The θ′ growth mechanism distinct from the Al–Cu–Mg alloy finally leads to a refined θ′ morphology regarding the thickness and aspect ratio (diameter/thickness). As is counterintuitive, the θ′ precipitate thickness distribution is demonstrated to have little effect on the mechanical property steadiness at the late ageing stage of the Al–Cu–Mg–(Si) alloys

Single crystal structures of the new vanadates CuMgVO{sub 4} and AgMgVO{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Ben Yahia, Hamdi, E-mail: Hyahia@qf.org.qa [Research Institute of Electrochemical Energy, National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31 Midorigaoka, Ikeda, Osaka 563-8577 (Japan); Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Qatar Foundation, PO Box 5825, Doha (Qatar); Shikano, Masahiro, E-mail: shikano.masahiro@aist.go.jp [Research Institute of Electrochemical Energy, National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31 Midorigaoka, Ikeda, Osaka 563-8577 (Japan); Essehli, Rachid; Belharouak, Ilias [Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Qatar Foundation, PO Box 5825, Doha (Qatar)

2016-08-01

The new compounds CuMgVO{sub 4} and AgMgVO{sub 4} have been synthesized by a solid state reaction route. Their crystal structures were determined from single-crystal X-ray diffraction data. CuMgVO{sub 4} crystallizes with Na{sub 2}CrO{sub 4}-type structure with space group Cmcm, a = 5.6932 (10), b = 8.7055 (15), c = 6.2789 (10) Å, V = 311.20 (9) Å{sup 3}, and Z = 4, whereas AgMgVO{sub 4} crystallizes in the maricite-type structure with space group Pnma, a = 9.4286 (14), b = 6.7465 (10), c = 5.3360 (8) Å, V = 339.42 (9) Å{sup 3}, and Z = 4. Both structures of CuMgVO{sub 4}, and AgMgVO{sub 4} contain MgO{sub 4} chains made up of edge-sharing MgO{sub 6} octahedra. In CuMgVO{sub 4} the MgO{sub 4} chains are interconnected through CuVO{sub 4} double chains made up of VO{sub 4} and CuO{sub 4} tetrahedra sharing corners and edges, however in AgMgVO{sub 4} the chains are interlinked by the VO{sub 4} and AgO{sub 4} tetrahedra sharing only corners. - Highlights: • We have been able to grow CuMgVO{sub 4} and AgMgVO{sub 4} single crystals. • We solved their crystal structures using single crystal data. • We compared the crystal structures of CuMgVO{sub 4} and AgMgVO{sub 4}.

Effect of heat treatment on the precipitation in Al-1 at.% Mg-x at.% Si (x = 0.6, 1.0 and 1.6) alloys

Energy Technology Data Exchange (ETDEWEB)

Gaber, A. [Physics Department, Faculty of Science, Assiut University, Assiut 71516 (Egypt); Afify, N. [Physics Department, Faculty of Science, Assiut University, Assiut 71516 (Egypt)], E-mail: afify@aun.edu.eg; Mostafa, M.S.; Abbady, Gh. [Physics Department, Faculty of Science, Assiut University, Assiut 71516 (Egypt)

2009-05-27

The fine-scale precipitates, that occurs during aging, the supersaturated Al-1.0 at.% Mg-x at.% Si (x = 0.6, 1.0 and 1.6) alloys have been investigated by differential scanning calorimetry (DSC), scanning electron microscopy (SEM) and X-ray diffraction (XRD) techniques. The strength of the alloys increases as a high density of very fine {beta}'' coherent and {beta}' semicoherent precipitates nucleate. The precipitates compositions have been determined by analyzing the X-ray diffraction (XRD) charts, by using Scherrer equation. The obtained results showed that the {beta}'' and {beta}' precipitates size lies in the nanometer range (from {approx}5 nm to {approx}32 nm). In addition, increasing Si concentration has exhibited an increase in the density of the precipitates, which fortifies the physical properties.

Effect of Cr, Ti, V, and Zr Micro-additions on Microstructure and Mechanical Properties of the Al-Si-Cu-Mg Cast Alloy

Science.gov (United States)

Shaha, S. K.; Czerwinski, F.; Kasprzak, W.; Friedman, J.; Chen, D. L.

2016-05-01

Uniaxial static and cyclic tests were used to assess the role of Cr, Ti, V, and Zr additions on properties of the Al-7Si-1Cu-0.5Mg (wt pct) alloy in as-cast and T6 heat-treated conditions. The microstructure of the as-cast alloy consisted of α-Al, eutectic Si, and Cu-, Mg-, and Fe-rich phases Al2.1Cu, Al8.5Si2.4Cu, Al5.2CuMg4Si5.1, and Al14Si7.1FeMg3.3. In addition, the micro-sized Cr/Zr/Ti/V-rich phases Al10.7SiTi3.6, Al6.7Si1.2TiZr1.8, Al21.4Si3.4Ti4.7VZr1.8, Al18.5Si7.3Cr2.6V, Al7.9Si8.5Cr6.8V4.1Ti, Al6.3Si23.2FeCr9.2V1.6Ti1.3, Al92.2Si16.7Fe7.6Cr8.3V1.8, and Al8.2Si30.1Fe1.6Cr18.8V3.3Ti2.9Zr were present. During solution treatment, Cu-rich phases were completely dissolved, while the eutectic silicon, Fe-, and Cr/Zr/Ti/V-rich intermetallics experienced only partial dissolution. Micro-additions of Cr, Zr, Ti, and V positively affected the alloy strength. The modified alloy in the T6 temper during uniaxial tensile tests exhibited yield strength of 289 MPa and ultimate tensile strength of 342 MPa, being significantly higher than that for the Al-Si-Cu-Mg base. Besides, the cyclic yield stress of the modified alloy in the T6 state increased by 23 pct over that of the base alloy. The fatigue life of the modified alloy was substantially longer than that of the base alloy tested using the same parameters. The role of Cr, Ti, V, and Zr containing phases in controlling the alloy fracture during static and cyclic loading is discussed.

Ternary systems Sr-{Ni,Cu}-Si: Phase equilibria and crystal structure of ternary phases

International Nuclear Information System (INIS)

Nasir, Navida; Melnychenko-Koblyuk, Nataliya; Grytsiv, Andriy; Rogl, Peter; Giester, Gerald; Wosik, Jaroslaw; Nauer, Gerhard E.

2010-01-01

Phase relations were established in the Sr-poor part of the ternary systems Sr-Ni-Si (900 deg. C) and Sr-Cu-Si (800 deg. C) by light optical microscopy, electron probe microanalysis and X-ray diffraction on as cast and annealed alloys. Two new ternary compounds SrNiSi 3 (BaNiSn 3 -type) and SrNi 9-x Si 4+x (own-type) were found in the Sr-Ni-Si system along with previously reported Sr(Ni x Si 1-x ) 2 (AlB 2 -type). The crystal structure of SrNi 9-x Si 4+x (own-type, x=2.7, a=0.78998(3), c=1.1337(2) nm; space group P4/nbm) was determined from X-ray single crystal counter to be a low symmetry derivative of the cubic, parent NaZn 13 -type. At higher Si-content X-ray Rietveld refinements reveal the formation of a vacant site (□) corresponding to a formula SrNi 5.5 Si 6.5 □ 1.0 . Phase equilibria in the Sr-Cu-Si system are characterized by the compounds SrCu 2-x Si 2+x (ThCr 2 Si 2 -type), Sr(Cu x Si 1-x ) 2 (AlB 2 -type), SrCu 9-x Si 4+x (0≤x≤1.0; CeNi 8.5 Si 4.5 -type) and SrCu 13-x Si x (4≤x≤1.8; NaZn 13 -type). The latter two structure types appear within a continuous solid solution. Neither a type-I nor a type-IX clathrate compound was encountered in the Sr-{Cu,Ni}-Si systems. Structural details are furthermore given for about 14 new ternary compounds from related alloy systems with Ba. - Graphical abstract: The crystal structure of SrNi 9-x Si 4+x (own-type, x=2.7, a=0.78998(3), c=1.1337(2) nm; space group P4/nbm) was determined from X-ray single crystal counter to be a low symmetry derivative of the cubic, parent NaZn 13 -type and is related to CeNi 8.5 Si 4.5 -type.

Decaying shock studies of phase transitions in MgO-SiO2 systems: implications for the Super-Earths' interiors

Science.gov (United States)

Bolis, R.; Morard, G.; Vinci, T.; Ravasio, A.; Bambrink, E.; Guarguaglini, M.; Koenig, M.; Musella, R.; Françoise, R.; Bouchet, J.; Ozaki, N.; Miyanishi, K.; Sekine, T.; Sakawa, Y.; Sano, T.; Kodama, R.; Guyot, F. J.; Benuzzi, A.

2016-12-01

Mantles of telluric exoplanets, so-called Earth-like and Super-Earths, are expected to be mainly composed of different type of oxides, such as periclase (MgO), enstatite (MgSiO3) and forsterite (Mg2SiO4). Determining the phase diagrams, melting curves and liquid properties of these compounds under extreme pressure (0.2-1 TPa) is crucial to model the internal dynamic of these exoplanets, as the melting of mantle components controls planetary temperature profiles [6]. Experimentally, these planetary thermodynamic states can be achieved with laser-shock compression. Here we present laser-driven decaying shock experiments on MgO, MgSiO3 and Mg2SiO4 samples performed at LULI and GEKKO laser facilities, where we focused 1.2-2.5 ns laser pulses with an intensity between 3-8 1013 W/cm2 exploring pressures between 0.2 and 1 TPa and temperature between 5000 and 30000 K. We determined the thermodynamic states using rear side optical diagnostics. We observed a single transition for MgO associated to melting (at 0.47 TPa ± 0.04 and 9863 ± 812 K) and no evidence of a liquid-liquid transition, dissociation or melting for all the other compounds in the range 150-500 Gpa and 200-800 Gpa respectively for MgSiO3 and Mg2SiO4. Some implications are presented comparing our data experimental and theoretical data found in literature [1, 2, 3, 4, 5]. In particular these results represent a key input to solve the controversy on a possible MgSiO3 liquid-liquid phase transition. Moreover we propose a revision of the phase diagram of MgO, with a lower melting line which results in a lower temperature profile for super-Earths. Finally our data evidence the presence of a poor electrically conducting liquid in the phase diagram of all the studied material, with implications for the modelling of magnetic field generation via dynamo mechanism.[1] McWilliams et al., Science 338 (2012): 1330-1333. [2] Spaulding et al., Physical Review Letters108 (2012): 065701. [3] Root et al., Physical Review

Phase formation in Mg-Sn-Si and Mg-Sn-Si-Ca alloys

Energy Technology Data Exchange (ETDEWEB)

Kozlov, A.; Groebner, J. [Institute of Metallurgy, Clausthal University of Technology, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany); Schmid-Fetzer, R., E-mail: schmid-fetzer@tu-clausthal.de [Institute of Metallurgy, Clausthal University of Technology, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany)

2011-02-17

Research highlights: > The solidification paths of ternary and quaternary alloys are analyzed in detail, using the tool of thermodynamic calculations. > The precipitation sequence of phases and their amounts compare well with the microstructure of alloys. > The most efficient comparison to the experimental thermal analysis data is done by calculation of the enthalpy variation with temperature. > The viability of a procedure for the selection of multicomponent key samples is demonstrated for the development of the Mg-Ca-Si-Sn phase diagram. - Abstract: Experimental work is done and combined with the Calphad method to generate a consistent thermodynamic description of the Mg-Ca-Si-Sn quaternary system, validated for Mg-rich alloys. The viability of a procedure for the selection of multicomponent key samples is demonstrated for this multicomponent system. Dedicated thermal analysis with DTA/DSC on sealed samples is performed and the microstructure of slowly solidified alloys is analyzed using SEM/EDX. The thermodynamic description and phase diagram of the ternary Mg-Si-Sn system, developed in detail also in this work, deviates significantly from a previous literature proposal. The phase formation in ternary and quaternary alloys is analyzed using the tool of thermodynamic equilibrium and Scheil calculations for the solidification paths and compared with present experimental data. The significant ternary/quaternary solid solubilities of pertinent intermetallic phases are quantitatively introduced in the quaternary Mg-Ca-Si-Sn phase diagram and validated by experimental data.

The effects of different heat treatment annealing on structural properties of LaFe11.5Si1.5 compound

Science.gov (United States)

Norizan, Yang Nurhidayah Asnida; Din, Muhammad Faiz Md; Zamri, Wan Fathul Hakim W.; Hashim, Fakroul Ridzuan; Jusoh, Mohd Taufik; Rahman, Mohd Rashid Abdul

2018-02-01

The cubic NaZn13-type LaFe13-xSix based compounds have been studied systematically and has become one of the most interesting systems for exploring large MCE. Its magnetic properties are strongly doping dependent and provides many of advantage compare to other as magnetic materials for magnetic refrigerator application. In other to produce high quality of cubic NaZn13-type structure, the structural properties of LaFe11.5Si1.5 compounds annealed at different temperature have been investigated. The LaFe11.5Si1.5 compounds was prepared by arc melting and annealed at two different heat treatment which are 1323 K for 14 days and 1523 K for 4 hour. The powder X-ray diffraction (XRD) shows that a short time and high temperature annealing process has benefits for the formation of the NaZn13-type phase compared to a long time and low temperature annealing process. This is shown by the weight fraction of cubic NaZn13- type structure increases from 80% for low temperature annealing to 83% for high temperature annealing. At the same time, high temperature annealing increase the main structure and decrease the impurity (α-Fe and LaFeSi). Furthermore, it can be clearly seen in the Rietveld refinement results that the lattice parameter is increase at the high temperature annealing because of more cubic NaZn13 is formed at higher temperature.

Electrosynthesis of Ti5Si3, Ti5Si3/TiC, and Ti5Si3/Ti3SiC2 from Ti-Bearing Blast Furnace Slag in Molten CaCl2

Science.gov (United States)

Li, Shangshu; Zou, Xingli; Zheng, Kai; Lu, Xionggang; Chen, Chaoyi; Li, Xin; Xu, Qian; Zhou, Zhongfu

2018-04-01

Ti5Si3, Ti5Si3/TiC, and Ti5Si3/Ti3SiC2 have been electrochemically synthesized from the Ti-bearing blast furnace slag/TiO2 and/or C mixture precursors at a cell voltage of 3.8 V and 1223 K to 1273 K (950 °C to 1000 °C) in molten CaCl2. The pressed porous mixture pellets were used as the cathode, and a solid oxide oxygen-ion-conducting membrane (SOM)-based anode was used as the anode. The phase composition and morphologies of the cathodic products were systematically characterized. The final products possess a porous nodular microstructure due to the interconnection of particles. The variations of impurity elements, i.e., Ca, Mg, and Al, have been analyzed, and the result shows that Ca and Mg can be almost completely removed; however, Al cannot be easily removed from the pellet due to the formation of Ti-Al alloys during the electroreduction process. The electroreduction process has also been investigated by the layer-depended phase composition analysis of the dipped/partially reduced pellets to understand the detailed reaction process. The results indicate that the electroreduction process of the Ti-bearing blast furnace slag/TiO2 and/or C mixture precursors can be typically divided into four periods, i.e., (i) the decomposition of initial Ca(Mg,Al)(Si,Al)2O6, (ii) the reduction of Ti/Si-containing intermediate phases, (iii) the removal of impurity elements, and (iv) the formation of Ti5Si3, TiC, and Ti3SiC2. It is suggested that the SOM-based anode process has great potential to be used for the direct and facile preparation of Ti alloys and composites from cheap Ti-containing ores.

Synergistic effects of composition and heat treatment on microstructure and properties of vacuum die cast Al-Si-Mg-Mn alloys

Directory of Open Access Journals (Sweden)

Jun-jie Xu

2018-03-01

Full Text Available The purpose of this study was to prepare high-quality Al-Si-Mg-Mn alloy with a good combination of strength and ductility employing the vacuum-assisted high-pressure die cast process. An orthogonal study of heat treatments was conducted to design an optimized T6 heat treatment process for both Al-10%Si-0.3%Mg-Mn and Al-11%Si-0.6%Mg-Mn alloys. The results demonstrate that no obvious blisters and warpage were observed in these two alloys with solid solution treatment. After the optimal T6 heat treatment of 530°C×3h + 165°C×6h, Al-11%Si-0.6%Mg-Mn alloy has better mechanical properties, of which tensile strength, yield strength and elongation reached 377.3 MPa, 307.8 MPa and 9%, respectively. The improvement of mechanical properties can be attributed to the high density of needle-like β″(Mg5Si6 precipitation after aging treatment and the fine and spherical eutectic Si particles uniformly distributed in the α-Al matrix.

Strain-softening behavior of an Fe-6.5 wt%Si alloy during warm deformation and its applications

International Nuclear Information System (INIS)

Fu Huadong; Zhang Zhihao; Yang Qiang; Xie Jianxin

2011-01-01

Research highlights: → An Fe-6.5 wt%Si alloy exhibits strain-softening behavior after large deformation. → The decrease of the order degree is responsible for the strain-softening behavior. → The strain-softening behavior of Fe-6.5 wt%Si alloy can be applied in cold rolling. → An Fe-6.5 wt%Si thin strip with thickness of 0.20 mm is fabricated by cold rolling. - Abstract: An Fe-6.5 wt%Si alloy with columnar grains was compressed at a temperature below its recrystallization temperature. The Vickers hardness and structure of the alloy before and after deformation were investigated. The results showed that with an increase in the degree of deformation, Vickers hardness of the alloy initially increased rapidly and then decreased slowly, indicating that the alloy had a strain-softening behavior after a large deformation. Meanwhile, the work-hardening exponent of the alloy decreased significantly. Transmission electron microscopy confirmed that the decrease of the order degree was responsible for the strain-softening behavior of the deformed alloy. Applying its softening behavior, the Fe-6.5 wt%Si alloy with columnar grains was rolled at 400 deg. C and then at room temperature. An Fe-6.5 wt%Si thin strip with thickness of 0.20 mm was fabricated. The surface of the strip was bright and had no obvious edge cracks.

Hot drawn Fe–6.5 wt.%Si wires with good ductility

International Nuclear Information System (INIS)

Yang, W.; Li, H.; Yang, K.; Liang, Y.F.; Yang, J.; Ye, F.

2014-01-01

Highlights: • Fe–6.5wt%Si steel wire with diameter of 1.6 mm can be successfully obtained by hot drawing process. • The ductility of Fe–6.5wt%Si alloy can be improved significantly when it is fabricated in the form of wire. • The Dc magnetic property of Fe–6.5wt%Si steel wire 1.6 mm in diameter is excellent, which is close to that of 0.3 mm thick cold-rolling sheet. - Abstract: Fe–6.5 wt.%Si high silicon steel wires with a diameter of 1.6 mm are fabricated successfully by hot drawing. The high silicon steel wires show much better ductility than sheets. The tensile strength and elongation of the wires at the room temperature can reach 1.31 GPa and 1.4%, respectively. The tensile strength and elongation of the rolling sheet at the room temperature are 0.8 GPa and 0, respectively. The microstructure analyses show that the elongated grains after drawing and reduced ordering phases by deformation in the wires might contribute to its good ductility. Bs value of 1.437 T and Hc value of 16.96 A/m are obtained for the wire after proper heat treatment for the wires

Experimental investigation of slow-positron emission from 4H-SiC and 6H-SiC surfaces

International Nuclear Information System (INIS)

Ling, C.C.; Beling, C.D.; Fung, S.; Weng, H.M.

2002-01-01

Slow-positron emission from the surfaces of as-grown n-type 4H-SiC and 6H-SiC (silicon carbide) with a conversion efficiency of ∼10 -4 has been observed. After 30 min of 1000 deg. C annealing in forming gas, the conversion efficiency of the n-type 6H-SiC sample was observed to be enhanced by 75% to 1.9x10 -4 , but it then dropped to ∼10 -5 upon a further 30 min annealing at 1400 deg. C. The positron work function of the n-type 6H-SiC was found to increase by 29% upon 1000 deg. C annealing. For both p-type 4H-SiC and p-type 6H-SiC materials, the conversion efficiency was of the order of ∼10 -5 , some ten times lower than that for the n-type materials. This was attributed to the band bending at the p-type material surface which caused positrons to drift away from the positron emitting surface. (author)

Laponite Na+0.7[(Si8Mg5.5Li0.3)O20(OH)4]–0.7

Indian Academy of Sciences (India)

Si8Mg5.5Li0.3)O20(OH)4]–0.7. Negative charges are counterbalanced by Na+ ions present in the interlayer. Electrostatic screening length at pH 10 ≈30 nm. Effective maximum volume increases by a factor of 60. Thus, for less than 1 volume ...

Electronic and local atomistic structure of MgSiO3 glass under pressure: a study of X-ray Raman scattering at the silicon and magnesium L-edges

Science.gov (United States)

Fukui, Hiroshi; Hiraoka, Nozomu

2018-02-01

We applied X-ray Raman scattering technique to MgSiO3 glass, a precursor to magnesium silicate melts, with respect to magnesium and silicon under high-pressure conditions as well as some polycrystalline phases of MgSiO3 at ambient conditions. We also performed ab initio calculations to interpret the X-ray Raman spectra. Experimentally obtained silicon L-edge spectra indicate that the local environment around silicon started changing at pressure above 10 GPa, where the electronic structure of oxygen is known to change. In contrast, the shape of the magnesium L-edge spectrum changed below 10 GPa. This indicates that the magnesium sites in MgSiO3 glass first distort and that the local structure around magnesium shows a wide variation under pressure. The framework structure consisting of silicon and oxygen changed above 10 GPa, where the coordination number of silicon was more than four. Our results imply that 6-oxygen-coordinated silicon was formed above 20 GPa.

A computational study on the electronic and field emission properties of Mg and Si doped AlN nanocones

Science.gov (United States)

Saedi, Leila; Soleymanabadi, Hamed; Panahyab, Ataollah

2018-05-01

Following an experimental work, we explored the effect of replacing an Al atom of an AlN nanocone by Si or Mg atom on its electronic and field emission properties using density functional theory calculations. We found that both Si-doping and Mg-doping increase the electrical conductivity of AlN nanocone, but their influences on the filed emission properties are significantly different. The Si-doping increases the electron concentration of AlN nanocone and results in a large electron mobility and a low work function, whereas Mg-doping leads to a high hole concentration below the conduction level and increases the work function in agreement with the experimental results. It is predicted that Si-doped AlN nanocones show excellent filed emission performance with higher emitted electron current density compared to the pristine AlN nanocone. But the Mg-doping meaningfully decreases the emitted electron current density from the surface of AlN nanocone. The Mg-doping can increase the work function about 41.9% and the Si-doping can decrease it about 6.3%. The Mg-doping and Si-doping convert the AlN nanocone to a p-type and n-type semiconductors, respectively. Our results explain in a molecular level what observed in the experiment.

Cu and Zn substituted silicon clathrates with the cubic type-II structure. Synthesis and characterization of Cs{sub 8}Na{sub 16}Cu{sub 3.8}Si{sub 132.2} and Cs{sub 8}Na{sub 16}Zn{sub 6.9}Si{sub 129.1}

Energy Technology Data Exchange (ETDEWEB)

Schaefer, Marion C.; Bobev, Svilen [Department of Chemistry and Biochemistry, University of Delaware, Newark, DE (United States)

2017-12-13

Studies in the systems Cs-Na-Cu-Si and Cs-Na-Zn-Si yielded the novel clathrates Cs{sub 8}Na{sub 16}(Cu,Si){sub 136} and Cs{sub 8}Na{sub 16}(Zn,Si){sub 136}, both with the cubic type-II structure [space group Fd anti 3m (no. 227), Pearson symbol cF160]. The structures of the title compounds were established from single-crystal X-ray diffraction methods, confirming the complete ordering of the Cs and Na guest atoms. The framework-building Si atoms are found to be randomly substituted by Cu atoms on framework site 96g, exclusively. In the structure of Cs{sub 8}Na{sub 16}(Zn,Si){sub 136}, the refinements indicate that the Zn and Si atoms co-occupy two of the three framework sites with notable preference for site 96g over site 32e. The corresponding refined compositions and unit cell parameters are as follows: Cs{sub 8}Na{sub 16}Cu{sub 3.8}Si{sub 132.2(1)} [a = 14.7583(15) Aa]; Cs{sub 8}Na{sub 16}Zn{sub 6.9}Si{sub 129.1(1)} [a = 14.7682(5) Aa], respectively. The type-II clathrates can be obtained only from experiments employing both Na and Cs, whereas work in the ternary Cs-Cu-Si, Cs-Zn-Si, Na-Cu-Si, and Na-Zn-Si systems failed to yield any clathrate phases. At the same conditions, exploratory studies in the K-Zn-Si and Rb-Zn-Si systems provided evidence that type-I clathrates are favored. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Yb{sub 6}Ir{sub 5}Ga{sub 7} - a MgZn{sub 2} superstructure

Energy Technology Data Exchange (ETDEWEB)

Seidel, Stefan; Poettgen, Rainer [Institut fuer Anorganische und Analytische Chemie, Universitaet Muenster, Corrensstrasse 30, 48149, Muenster (Germany)

2017-02-15

The gallide Yb{sub 6}Ir{sub 5}Ga{sub 7} was synthesized by high-frequency melting of the elements in a sealed niobium ampoule. The structure was refined from single-crystal X-ray diffractometer data: Nb{sub 6.4}Ir{sub 4}Al{sub 7.6} type, P6{sub 3}/mcm, a = 930.4(1), c = 843.0(1) pm, wR{sub 2} = 0.0597, 379 F{sup 2} values and 22 variables. Yb{sub 6}Ir{sub 5}Ga{sub 7} adopts a superstructure of the MgZn{sub 2} Laves phase by a complete ordering of the iridium and gallium atoms on the zinc substructure, i.e. the network consists of ordered and condensed Ir{sub 3}Ga and IrGa{sub 3} tetrahedra with Ir-Ga distances ranging from 260 to 265 pm. The crystal chemical details and the underlying group-subgroup scheme are discussed. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Preparation of Mg-α SiAlON powder by carbothermal reduction-nitridation of talc and halloysite

International Nuclear Information System (INIS)

Qui, J.Y.; Zhang, C.; Komeya, K.; Meguro, T.; Tatami, J.; Cheng, Y.-B.

2001-01-01

Carbothermal reduction-nitridation (CRN) of talc (Mg 3 (Si 2 O 5 ) 2 (OH) 2 ) and halloysite (Al 2 Si 2 O 5 (OH) 4 ) clay provides a useful route for preparing low-cost Mg-α sialon powder. In this study, the chosen molecular ratios of talc to halloysite were 0.1:1, 0.2:1, 1.5:1.0 and 2.0:1. The CRN reaction was conducted at 1450 to 1520 deg C and 2 to 6h holding time using carbon black as a reducing agent in flowing N 2 (gas). The results showed the synthesized powder was composed of α-sialon, β-sialon and small amounts of SiC, 15R and AlN phases that greatly depended on the ratio of talc to halloysite, the reaction temperature and holding time. The highest content of Mg-α sialon, as much as 90wt%, was achieved at 1480 deg C for a holding time of 4h at a talc to halloysite ratio of 1.5:1.0. SiC was considered as an intermediate compound. We also discuss the evaporation loss of Mg caused by talc decomposing into MgSiN 2 intermediate phase in the CRN reaction. Copyright (2001) The Australian Ceramic Society

Interface reactions in the Al-Si-SiC and Mg-Al-Al{sub 2}O{sub 3} composite systems

Energy Technology Data Exchange (ETDEWEB)

Johnson, P.K. [Commission of the European Communities, Petten (Netherlands). Inst. for Advanced Materials; Fazal-Ur-Rehman [Imperial Coll. of Science, Technology and Medicine, London (United Kingdom). Dept. of Materials; Fox, S. [Imperial Coll. of Science, Technology and Medicine, London (United Kingdom). Dept. of Materials; Flower, H.M. [Imperial Coll. of Science, Technology and Medicine, London (United Kingdom). Dept. of Materials; West, D.R.F.

1995-12-31

Structural and compositional observations are reported on the influence of the interfaces on the mechanisms and kinetics of liquid metal-ceramic reactions in Al-SiC, Al-Si-SiC, Mg-Al{sub 2}O{sub 3} and Mg-Al-Al{sub 2}O{sub 3} composites. The aluminium based materials contained up to 20 vol% SiC in particulate form, and were produced by a spray casting process; subsequently the interface reactions were studied in samples heated to temperatures up to 1100 C. The reaction product was Al{sub 4}C{sub 3} in both Al-SiC and Al-Si-SiC composites. The influence of the crystallography and topology of the SiC particle surfaces on the nucleation of the Al{sub 4}C{sub 3} has been demonstrated; surface asperities play an important role. Growth of nuclei proceeds to form continuous reaction product layers which control the subsequent kinetics. The magnesium based composites contained 5 vol% Al{sub 2}O{sub 3} fibres (3 {mu}m in diameter), and were produced by a liquid infiltration process. SD Safimax fibres with relatively low and high porosity, and also RF Saffil fibres, with a silica binder, were investigated. Fibre porosity plays a major role in accelerating the penetration of Mg into the fibres with reaction to form MgO. Silica binder on the fibre surface transforms to MgO. The reaction rate was reduced by the presence of aluminium in the matrix. The factors controlling the reactions in the aluminium and magnesium based composites are compared. (orig.)

Efficacy of 5MG and 10MG rosuvastatin in type-2 diabetes mellitus with hypercholesteroalemia

International Nuclear Information System (INIS)

Ullah, F.; Rahim, F.; Rahman, S.U.; Ashfaq, M.; Afridi, A.K.

2015-01-01

Background: Coronary Heart Disease (CHD) is the most important complication and the leading cause of death in patients with type 2 diabetes mellitus (T2DM). Hypercholesterolemia is an important modifiable risk factor for CHD. Statins are the first line drugs for the treatment of hypercholesterolemia in DM. Comparative studies between different statins are available but different doses of the same statin have not been compared in our population. The objective of this study is to compare mean reduction in serum LDL-C level after using 5mg and 10mg of rosuvastatin among T2DM patients with hypercholesterolemia. This study will help finding lowest effective dose of rosuvastatin to achieve internationally set low density lipoprotein cholesterol (LDL-C) goals. Method: A total of 82 patients with T2DM having fasting LDL-C levels equal or more than 100mg/dl were randomly allocated into two groups with 41 patients in each group. Baseline fasting serum LCL-C levels were obtained in all patients. Group A received 5mg while group B received 10mg of rosuvastatin daily at night. After 6 weeks, fasting LDL-C levels were obtained and analysed to compare the mean±SD reduction of LDL-C levels in both groups. Results: Baseline mean±SD LDL-C levels in group A and group B were 134.12±30.02 and 143.49±32.01 respectively (p 0.176). Follow up mean ± SD LDL-C levels were 81.59±28.47 and 83.24±36.06 respectively (p 0.818). Mean ± SD reduction in LDL-C levels from baseline levels in group A and group B were 52.51±19.49 and 60.20±24.09 (p 0.116). Conclusion: Rosuvastatin 5mg is as effective as 10mg in reducing the LDL-C levels in type 2 diabetic patients with hypercholesterolemia. (author)

Band structure of semiconductor compounds of Mg sub 2 Si and Mg sub 2 Ge with strained crystal lattice

CERN Document Server

Krivosheeva, A V; Shaposhnikov, V L; Krivosheev, A E; Borisenko, V E

2002-01-01

The effect of isotopic and unaxial deformation of the crystal lattice on the electronic band structure of indirect band gap semiconductors Mg sub 2 Si and Mg sub 2 Ge has been simulated by means of the linear augmented plane wave method. The reduction of the lattice constant down to 95 % results in a linear increase of the direct transition in magnesium silicide by 48%. The stresses arising under unaxial deformation shift the bands as well as result in splitting of degenerated states. The dependence of the interband transitions on the lattice deformation is nonlinear in this case

Effect of Composition and Pre-Ageing on the Natural Ageing and Paint-Baking Behaviour of Al-Mg-Si Alloys

Science.gov (United States)

Rometsch, Paul A.; Gao, Sam X.; Couper, Malcolm J.

Two 6xxx series aluminium alloys were designed to have the same total solute content but very different Mg/Si ratios. An excess Mg alloy (Al-1.2Mg-0.5Si) and an excess Si alloy (Al-0.5Mg-1.2Si) were cast and rolled to 1 mm thick sheet. Both were naturally aged for 30 days and then artificially aged for 0.5 h at 170°C to simulate an automotive body panel paint-baking cycle. In order to improve the paint-bake response, pre-ageing treatments of 20 s at 200°C and 2 h at 100°C were tested and evaluated using atom probe tomography, transmission electron microscopy and hardness testing. The results show that the excess Mg alloy tends to have coarser clusters/precipitates than the excess Si alloy, and that the Mg/Si ratio of the smaller clusters is closer to the alloy composition than that of the larger clusters and precipitates. Depending on the pre-ageing treatment, both alloys can give good paint-baking responses.

On the knowledge of the (NH4)3SiF7 type of structure

International Nuclear Information System (INIS)

Hofmann, B.; Hoppe, R.

1979-01-01

New obtained are Rb 3 SiF 7 (a = 7.95 9 ; c = 5.82 3 A), Cs 3 SiF 7 (a = 8.30 6 ; c = 6.17 0 A), Rb 3 TiF 7 (a = 8.20 2 ; c = 5.97 9 A), Cs 3 TiF 7 (a = 8.47 3 ; c = 6.31 3 A). and Cs 2 RbSiF 7 (a = 8.19 8 ; c = 6.01 9 A); Cs 2 KSiF 7 (a = 8.11 5 , c = 5.97 2 A), Rb 2 CsSiF 7 (a = 8.09 9 ; c = 5.89 9 A), Rb 2 KSiF 7 (a = 7.88 3 ; c = 5.72 4 A), all colourless, Rb 3 CrF 7 (a = 8.08 4 ; c = 5.90 2 A), Cs 3 CrF 7 (a 8.39 0 ; c = 6.24 7 A), both pink, K 3 MnF 7 (a = 11.14 6 ; b = 11.00 5 ; c = 5.63 1 A), Rb 3 MnF 7 (a = 8.05 0 ; c = 5.89 0 A), Cs 3 MnF 7 (a 8.36 9 ; c = 6.23 3 A), each lemon yellow, and Rb 3 NiF 7 (a = 7.97 8 ; c = 5.85 7 A) and Cs 3 NiF 7 (a = 8.30 7 ; c = 6.19 2 A), both bright carmine red. Proposals for structure, due to Guinier-Simon powder datas (Cu-Kα), are based on the assumption that these fluorides (K 3 MnF 7 exception) are isotypic with K 3 SiF 7 , P4/mbm. Calculations of the Madelung Part of Lattice Energy, MAPLE, confirm the adopted parameters of position. Effective Coordination Numbers, ECoN, calculated by use of Mean Fictive Ionic Radii, MEFIR, are calculated and discussed. Raman spectra indicate the presence of octahedral groups [MF 6 ] in case of Rb 3 SiF 7 , and Cs 3 TiF 7 . The magnetic behaviour of A 3 MnF 7 is measured (70-293 K). (author)

Fabrication of Fe-6.5wt%Si Ribbons by Melt Spinning Method on Large Scale

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Y. F. Liang

2015-01-01

Full Text Available Melt spinning method has been widely applied for fabrication of Fe-based amorphous/nanocrystalline ribbons in industry. Compared with Fe-based amorphous/nanocrystalline alloys, Fe-6.5wt%Si high silicon steel is of low cost and has comparable excellent soft magnetic properties. Due to higher melting point and absence of supercooled liquid region, fabrication of Fe-6.5wt%Si ribbons is very hard and is only on lab scale. In this paper, we report that large scale fabrication of Fe-6.5wt%Si ribbons was successful and microstructures, ordered structures, and mechanical and soft magnetic properties of the ribbons were investigated. Due to rapid solidification rate, the ribbons were of ultrafine grains, and low degree of order and exhibited some extent of bending and tensile ductility. After heat treatment, excellent soft magnetic properties were obtained. Due to near-zero magnetostriction, the ribbons are promising to be used in electric devices with high frequencies where low noises are required.

The Partial Molar Volume and Compressibility of the FeO Component in Model Basalts (Mixed CaAl2Si2O8-CaMgSi2O6-CaFeSi2O6 Liquids) at 0 GPa: evidence of Fe2+ in 6-fold coordination

Science.gov (United States)

Guo, X.; Lange, R. A.; Ai, Y.

2010-12-01

FeO is an important component in magmatic liquids and yet its partial molar volume at one bar is not as well known as that for Fe2O3 because of the difficulty of performing double-bob density measurements under reducing conditions. Moreover, there is growing evidence from spectroscopic studies that Fe2+ occurs in 4, 5, and 6-fold coordination in silicate melts, and it is expected that the partial molar volume and compressibility of the FeO component will vary accordingly. We have conducted both density and relaxed sound speed measurements on four liquids in the An-Di-Hd (CaAl2Si2O8-CaMgSi2O6-CaFeSi2O6) system: (1) Di-Hd (50:50), (2) An-Hd (50:50), (3) An-Di-Hd (33:33:33) and (4) Hd (100). Densities were measured between 1573 and 1838 K at one bar with the double-bob Archimedean method using molybdenum bobs and crucibles in a reducing gas (1%CO-99%Ar) environment. The sound speeds were measured under similar conditions with a frequency-sweep acoustic interferometer, and used to calculate isothermal compressibility. All the density data for the three multi-component (model basalt) liquids were combined with density data on SiO2-Al2O3-CaO-MgO-K2O-Na2O liquids (Lange, 1997) in a fit to a linear volume equation; the results lead to a partial molar volume (±1σ) for FeO =11.7 ± 0.3(±1σ) cm3/mol at 1723 K. This value is similar to that for crystalline FeO at 298 K (halite structure; 12.06 cm3/mol), which suggests an average Fe2+ coordination of ~6 in these model basalt compositions. In contrast, the fitted partial molar volume of FeO in pure hedenbergite liquid is 14.6 ± 0.3 at 1723 K, which is consistent with an average Fe2+ coordination of 4.3 derived from EXAFS spectroscopy (Rossano, 2000). Similarly, all the compressibility data for the three multi-component liquids were combined with compressibility data on SiO2-Al2O3-CaO-MgO liquids (Ai and Lange, 2008) in a fit to an ideal mixing model for melt compressibility; the results lead to a partial molar

Crystal structure and thermoelectric properties of clathrate, Ba{sub 8}Ni{sub 3.5}Si{sub 42.0}: Small cage volume and large disorder of the guest atom

Energy Technology Data Exchange (ETDEWEB)

Roudebush, John H., E-mail: jhr@princeton.edu [Department of Chemistry, University of California, One Shields Ave., Davis, CA 95616 (United States); Orellana, Mike [Department of Chemistry, University of California, One Shields Ave., Davis, CA 95616 (United States); Bux, Sabah [Thermal Energy Conversion Technologies Group, Jet Propulsion Laboratory/California Institute of Technology, Pasadena, CA 91109 (United States); Yi Tanghong; Kauzlarich, Susan M. [Department of Chemistry, University of California, One Shields Ave., Davis, CA 95616 (United States)

2012-08-15

Samples with the type-I clathrate composition Ba{sub 8}Ni{sub x}Si{sub 46-x} have been synthesized and their structure and thermoelectric properties characterized. Microprobe analysis indicates the Ni incorporation to be 2.62{<=}x{<=}3.53. The x=3.5 phase crystallizes in the type-I clathrate structure (space group: Pm-3n) with a lattice parameter of 10.2813(3) A. The refined composition was Ba{sub 8}Ni{sub 3.5}Si{sub 42.0}, with small vacancies, 0.4 and 0.5 atoms per formula unit, at the 2a and 6c sites, respectively. The position of the Ba2 atom in the large cage was modeled using a 4-fold split position (24j site), displaced 0.18 A from the cage center (6d site). The volume of the large cage is calculated to be 146 A{sup 3}, smaller than other clathrates with similar cation displacement. The sample shows n-type behavior with a maximum of -50 {mu}V/K at 823 K above which the Seebeck coefficient decreases, suggesting mixed carriers. Lattice thermal conductivity, {kappa}{sub l}, is 55 mW/K above 600 K. - Graphical abstract: Seebeck coefficient and resistivity of the type-I clathrate Ba{sub 8}Ni{sub 3.5}Si{sub 41.0}. Structure show's large displacement of the Ba cation in the large cage (6c site). Highlights: Black-Right-Pointing-Pointer Crystal structure of the Ba{sub 8}Ni{sub 3.5}Si{sub 41.0} reported. Black-Right-Pointing-Pointer Vacancies at the 2a and 6c sites. Black-Right-Pointing-Pointer Large disorder of Ba guest atom, 0.18 A from cage center. Black-Right-Pointing-Pointer Structure is compared to Ba{sub 8}Si{sub 46} and other type-I clathrates. Black-Right-Pointing-Pointer Max Seebeck of -50.7 {mu}V/C at 798.4 K, thermal conductivity {approx}55 mW/K.

Bismuth zinc vanadate, BiZn{sub 2}VO{sub 6}: New crystal structure type and electronic structure

Energy Technology Data Exchange (ETDEWEB)

Eliziario Nunes, Sayonara [Department of Chemistry, Durham University, South Road, Durham DH1 3LE (United Kingdom); Department of Materials Engineering, Federal University of São Carlos, 13565-905 São Carlos, SP (Brazil); Wang, Chun-Hai; So, Karwei; Evans, John S.O. [Department of Chemistry, Durham University, South Road, Durham DH1 3LE (United Kingdom); Evans, Ivana Radosavljević, E-mail: ivana.radosavljevic@durham.ac.uk [Department of Chemistry, Durham University, South Road, Durham DH1 3LE (United Kingdom)

2015-02-15

We report a combined experimental and computational study of the crystal structure and electronic properties of bismuth zinc vanadate, BiZn{sub 2}VO{sub 6}, known for its visible light photocatalytic activity. The crystal structure has been solved from laboratory powder X-ray diffraction data using the repeated minimisations from random starting values method. BiZn{sub 2}VO{sub 6} adopts a new structure type, based on the following building blocks: corner- and edge-sharing ZnO{sub 4} tetrahedra, ZnO{sub 6} octahedra and VO{sub 4} tetrahedra, and Bi{sub 2}O{sub 12} dimers. It is the only known member of the BiM{sub 2}AO{sub 6} (M=Pb, Ca, Cd, Mn, Zn, Mg, Cu; A=V, P, As) family which does not appear to be structurally closely related to others. The electronic structure of BiZn{sub 2}VO{sub 6}, calculated by DFT methods, shows that it is an indirect gap semiconductor with a calculated band gap of 1.6 eV, which compares favourably to the experimentally measured value of 2.4 eV. - Graphical abstract: The crystal structure of BiZn{sub 2}VO{sub 6}, a new structure type in the BiM{sub 2}AO{sub 6} (M=Mg, Ca, Cd, Cu, Pb, Mn, Zn; A=V, P, As) family. - Highlights: • Structure solution from PXRD data by repeated minimisations from random starting values. • New structure type in the BiM{sub 2}AO{sub 6} (M=Pb, Ca, Cd, Mn, Zn, Mg, Cu; A=V, P, As) family. • Electronic structure calculation.

Precipitation kinetics of Al-1.12 Mg{sub 2}Si-0.35 Si and Al-1.07 Mg{sub 2}Si-0.33 Cu alloys

Energy Technology Data Exchange (ETDEWEB)

Gaber, A. [Physics Department, Faculty of Science, Assiut University, Assiut 71516 (Egypt); Gaffar, M.A. [Physics Department, Faculty of Science, Assiut University, Assiut 71516 (Egypt)]. E-mail: mgaafar@aucegypt.edu; Mostafa, M.S. [Physics Department, Faculty of Science, Assiut University, Assiut 71516 (Egypt); Zeid, E.F. Abo [Physics Department, Faculty of Science, Assiut University, Assiut 71516 (Egypt)

2007-02-21

The kinetics of hardening precipitates of Al-1.12 wt.% Mg{sub 2}Si-0.35 wt.% Si (excess Si) and Al-1.07 wt.% Mg{sub 2}Si-0.33 wt.% Cu (balanced + Cu) alloys have been investigated by means of differential scanning calorimetry and hardness measurements. The excess Si enhances the precipitation kinetics and improves the strength of the material. On the other hand, however addition of Cu assist formation of the Q' phase which positively changed the alloy strength. The high binding energy between vacancies and solute atoms (Si and Mg) enhances the combination of Si, Mg and vacancies to form Si-Mg-vacancy clusters. These clusters act as nucleation sites for GP-zones. The coexistence of the {beta}'- and Q'-precipitates in the balanced + Cu alloy results in a higher peak age hardening compared to the alloy with Si in excess.

HRTEM characterization of melt-spun Al-Si-Cu-Mg alloys solidified at different rates

International Nuclear Information System (INIS)

Alfonso, Ismeli; Maldonado, Cuauhtemoc; Medina, Ariosto; Gonzalez, Gonzalo; Bejar, Luis

2006-01-01

Six quaternary alloys Al-6Si-3Cu-xMg (x = 0.59, 3.80 and 6.78 wt.%) were produced by melt spinning using two different tangential speeds of the copper wheel (30 and 45 ms -1 ), and characterized using optical microscopy (OM), scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD) and microhardness. At 30 ms -1 , XRD and TEM investigations revealed the presence of Al 2 Cu (θ) for the alloy with 0.59%Mg and Al 5 Cu 2 Mg 8 Si 6 (Q) for the alloys with 3.80 and 6.78%Mg. The increase in microhardness of the alloys with higher Mg content is attributed to the presence of nanosized a-Al particles and a higher content of Q nanoparticles. At 45 ms -1 the alloying element content in solid solution is increased due to the fact that the quantity of free second phases (θ and Q nanoparticles) has decreased. For this rotation speed, amorphous regions of α -Al were observed, increasing microhardness compared to the 30 ms -1 ribbons

Structurally characterized 1,1,3,3-tetramethylguanidine solvated magnesium aryloxide complexes: [Mg(mu-OEt)(DBP)(H-TMG)]2, [Mg(mu-OBc)(DBP)(H-TMG)]2, [Mg(mu-TMBA)(DBP)(H-TMG)]2, [Mg(mu-DPP)(DBP)(H-TMG)]2, [Mg(BMP)2(H-TMG)2], [Mg(O-2,6-Ph2C6H3)2 (H-TMG)2].

Science.gov (United States)

Monegan, Jessie D; Bunge, Scott D

2009-04-06

The synthesis and structural characterization of several 1,1,3,3-tetramethylguanidine (H-TMG) solvated magnesium aryloxide complexes are reported. Bu(2)Mg was successfully reacted with H-TMG, HOC(6)H(3)(CMe(3))(2)-2,6 (H-DBP), and either ethanol, a carboxylic acid, or diphenyl phosphate in a 1:1 ratio to yield the corresponding [Mg(mu-L)(DBP)(H-TMG)](2) where L = OCH(2)CH(3) (OEt, 1), O(2)CC(CH(3))(3) (OBc, 2), O(2)C(C(6)H(2)-2,4,6-(CH(3))(3)) (TMBA, 3), or O(2)P(OC(6)H(5))(2) (DPP, 4). Bu(2)Mg was also reacted with two equivalents of H-TMG and HOC(6)H(3)(CMe(3))-2-(CH(3))-6 (BMP) or HO-2,6-Ph(2)C(6)H(3) to yield [Mg(BMP)(2)(H-TMG)(2)] (5) and [Mg(O-2,6-Ph(2)C(6)H(3))(2)(H-TMG)(2)] (6). Compounds 1-6 were characterized by single-crystal X-ray diffraction. Polymerization of l- and rac-lactide with 1 was found to generate polylactide (PLA). A discussion concerning the relevance of compounds 2 - 4 to the structure of Mg-activated phosphatase enzymes is also provided. The bulk powders for all complexes were found to be in agreement with the crystal structures based on elemental analyses, FT-IR spectroscopy, and (1)H, (13)C and (31)P NMR studies.

Investigating the effects of abyssal peridotite alteration on Si, Mg and Zn isotopes

Science.gov (United States)

Savage, P. S.; Wimpenny, J.; Harvey, J.; Yin, Q.; Moynier, F.

2013-12-01

Around 1/3 of Earth's divergent ridge system is now classified as "slow" spreading [1], exposing ultramafic rocks (abyssal peridotites) at the seafloor. Such material is often highly altered by serpentinisation and steatisation (talc formation). It is crucial to understand such processes in order to access the original composition of the mantle, and to quantify any impact on ocean composition. Here we examine the effect of both serpentinisation and steatisation on Si, Mg and Zn isotopes. Hydrothermal alteration and seafloor weathering are both sources of oceanic Si [2] and weathering of abyssal peridotites is a source of oceanic Mg [3]; hence isotopic fractionation as a result of seafloor alteration could affect oceanic Si and Mg isotope composition. Zinc isotopes can provide complimentary information; the magnitude and direction of fractionation is highly dependent on complexing ligand [4] and can provide compositional information on the fluids driving metasomatism. For this study, two cores from the well-characterised abyssal peridotites recovered on ODP Leg 209 were examined [5]. Hole 1274a peridotites exhibit variable serpentinisation at ~200°C, whereas samples from Hole 1268a have been comprehensively serpentinised and then subsequently steatised to talc facies at ~350°C, by a low Mg/Si, low pH fluid. The Si, Mg and Zn isotope compositions of 1274a samples are extremely homogeneous, identical to that of pristine mantle rocks (BSE) i.e., serpentinisation at this locality was predominantly isochemical [5]. In contrast, samples from 1268a show greater isotopic variability. In all samples, Mg is enriched in the heavier isotopes relative to BSE, consistent with formation of isotopically heavy secondary phases [6]. For Si, serpentinised samples are slightly enriched in the lighter isotopes compared to BSE, again consistent with the behaviour of Si during formation of secondary phases [7]. Within the steatised samples, some exhibit enrichments in the lighter Si

Dy–Mn–Si as a representative of family of ‘Dy–Transition Metal–Si’ systems: Its isothermal sections, empirical rProd. Type: FTPules and new rare-earth manganese silicides

Energy Technology Data Exchange (ETDEWEB)

Morozkin, A.V., E-mail: morozkin@general.chem.msu.ru [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation); Knotko, A.V. [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation); Yapaskurt, V.O. [Department of Petrology, Geological Faculty, Moscow State University, Leninskie Gory, Moscow 119992 (Russian Federation); Provino, A.; Manfrinetti, P. [INFM and Dipartimento di Chimica e Chimica Industriale, Universita di Genova, Via Dodecaneso 31, 16146 Genova (Italy); Yao, Jinlei; Yuan, Fang; Mozharivskyj, Y. [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario, Canada L8S 4M1 (Canada)

2013-10-15

X-ray and microprobe analyses were employed for the investigation of Dy–Mn–Si system at 870/1070/1170 K. The Dy–Mn–Si system, contains the known DyMn{sub 2}Si{sub 2}, DyMnSi and Dy{sub 2}Mn{sub 3}Si{sub 5} compounds and DyMn{sub 4}Si{sub 2}, Dy{sub 2}MnSi{sub 2} and Dy{sub 3}Mn{sub 2}Si{sub 3} were new compounds identified first time and their structure are of the type TmCu{sub 4}Sb{sub 2}, Sc{sub 2}CoSi{sub 2} and Hf{sub 3}Ni{sub 2}Si{sub 3} respectively. The quasi-binary solid solutions were detected at 870/1070/1170 K: the ThMn{sub 12}-type Dy{sub 8}Mn{sub 87}Si{sub 5}, Th{sub 6}Mn{sub 23}-type Dy{sub 23}Mn{sub 72}Si{sub 5}, MgCu{sub 2}-type Dy{sub 33}Mn{sub 58}Si{sub 9} and AlB{sub 2}-type Dy{sub 38}Mn{sub 2}Si{sub 58}. The other binary compounds of the Dy–Mn–Si system do not show any visible solubility. New phases R{sub 2}MnSi{sub 2} and R{sub 3}Mn{sub 2}Si{sub 3} (R=Gd, Tb, Ho–Tm) were found out and their structure of the type Sc{sub 2}CoSi{sub 2} and Hf{sub 3}Ni{sub 2}Si{sub 3} respectively. The specific features of ‘Dy–Transition Metal–Si’ systems were discussed. - Graphical abstract: The isothermal section of Dy–Mn–Si contains the known DyMn{sub 2}Si{sub 2}, DyMnSi, Dy{sub 2}Mn{sub 3}Si{sub 5} and new TmCu{sub 4}Sb{sub 2}-type DyMn{sub 4}Si{sub 2}, Sc{sub 2}CoSi{sub 2}-type Dy{sub 2}MnSi{sub 2} and Hf{sub 3}Ni{sub 2}Si{sub 3}-type Dy{sub 3}Mn{sub 2}Si{sub 3} ternary compounds. The ternary solid solution based on the binary compounds of the Dy–Mn and Dy–Si systems: the ThMn{sub 12}-type Dy{sub 8}Mn{sub 87}Si{sub 5}, Th{sub 6}Mn{sub 23}-type Dy{sub 23}Mn{sub 72}Si{sub 5}, MgCu{sub 2}-type Dy{sub 33}Mn{sub 58}Si{sub 9} and AlB{sub 2}-type Dy{sub 38}Mn{sub 2}Si{sub 58}. The other binary compounds of the Dy–Mn–Si system do not show any visible solubility. New Sc{sub 2}CoSi{sub 2}-type R{sub 2}MnSi{sub 2} and Hf{sub 3}Ni{sub 2}Si{sub 3}-type R{sub 3}Mn{sub 2}Si{sub 3} phases were discovered for R=Gd, Tb, Ho–Tm. Display Omitted

Modeling of amorphous SiCxO6/5 by classical molecular dynamics and first principles calculations

Science.gov (United States)

Liao, Ningbo; Zhang, Miao; Zhou, Hongming; Xue, Wei

2017-02-01

Polymer-derived silicon oxycarbide (SiCO) presents excellent performance for high temperature and lithium-ion battery applications. Current experiments have provided some information on nano-structure of SiCO, while it is very challenging for experiments to take further insight into the molecular structure and its relationship with properties of materials. In this work, molecular dynamics (MD) based on empirical potential and first principle calculation were combined to investigate amorphous SiCxO6/5 ceramics. The amorphous structures of SiCO containing silicon-centered mix bond tetrahedrons and free carbon were successfully reproduced. The calculated radial distribution, angular distribution and Young’s modulus were validated by current experimental data, and more details on molecular structure were discussed. The change in the slope of Young’s modulus is related to the glass transition temperature of the material. The proposed modeling approach can be used to predict the properties of SiCO with different compositions.

Resonant Raman scattering in ion-beam-synthesized Mg2Si in a silicon matrix

International Nuclear Information System (INIS)

Baleva, M.; Zlateva, G.; Atanassov, A.; Abrashev, M.; Goranova, E.

2005-01-01

Resonant Raman scattering by ion beam synthesized in silicon matrix Mg 2 Si phase is studied. The samples are prepared with the implantation of 24 Mg + ions with dose 4x10 17 cm -2 and with two different energies 40 and 60 keV into (100)Si substrates. The far infrared spectra are used as criteria for the formation of the Mg 2 Si phase. The Raman spectra are excited with different lines of Ar + laser, with energies of the lines lying in the interval from 2.40 to 2.75 eV. The resonant scattering can be investigated using these laser lines, as far as according to the Mg 2 Si band structure, there are direct gaps with energies in the same region. The energy dependences of the scattered intensities in the case of the scattering by the allowed F 2g and the forbidden LO-type modes are experimentally obtained and theoretically interpreted. On the base of the investigation energies of the interband transitions in the Mg 2 Si are determined. It is found also that the resonant Raman scattering appears to be a powerful tool for characterization of a material with inclusions in it. In the particular case it is concluded that the Mg 2 Si phase is present in the form of a surface layer in the sample, prepared with implantation energy 40 keV and as low-dimensional precipitates, embedded in the silicon matrix, in the sample, prepared with the higher implantation energy

Electron density distribution and disordered crystal structure of 8H-SiAlON, Si3−xAl1+xOxN5−x (x∼2.2)

International Nuclear Information System (INIS)

Banno, Hiroki; Asaka, Toru; Fukuda, Koichiro

2014-01-01

The 8H-SiAlON crystal with general formula Si 3−x Al 1+x O x N 5−x was characterized using laboratory X-ray powder diffraction (CuKα 1 ), transmission electron microscopy and energy dispersive X-ray spectroscopy. The [Si: Al] molar ratios were determined to be [0.21(1): 0.79(1)], corresponding to x=2.2(1). The Si 0.8(1) Al 3.2(1) O 2.2(1) N 2.8(1) compound is hexagonal with space group P6 3 /mmc (Z=2). The unit-cell dimensions are a=0.298877(8) nm, c=2.30872(5) nm and V=0.178602(8) nm 3 . The initial structural model was successfully derived by the charge-flipping method and further refined by the Rietveld method. The final structural model showed the positional disordering of two of the three (Si,Al) sites. The maximum-entropy method-based pattern fitting (MPF) method was used to confirm the validity of the split-atom model, in which conventional structure bias caused by assuming intensity partitioning was minimized. The reliability indices calculated from the MPF were R wp =4.74%, S (=R wp /R e )=1.30, R p =3.40%, R B =1.04% and R F =0.74%. The disordered crystal structure was successfully described by overlapping four types of domains with ordered atom arrangements. The distribution of atomic positions in each of the domains can be achieved in the space group P6 3 mc. Two of the four types of domains are related by a pseudo-symmetry inversion, and the two remaining domains also have each other the inversion pseudo-symmetry. - Graphical abstract: Bird's eye view of electron densities up to 49.3% (0.071 nm −3 ) of the maximum on the plane parallel to (110) with the corresponding atomic arrangements of Si 0.8 Al 3.2 O 2.2 N 2.8 . - Highlights: • Crystal structure of Si 0.8 Al 3.2 O 2.2 N 2.8 is determined by laboratory X-ray powder diffraction. • The atom arrangements are represented by the split-atom model. • The maximum-entropy method-based pattern fitting method is used to confirm the validity of the model. • The disordered structure is described

Rietveld refinement of the orthorhombic Pbca structures of Rb2CdSi5O12, Cs2MnSiO5O12, Cs2CoSi5O12 and Cs2NiSi5O12 leucites by synchrotron X-ray powder diffraction

International Nuclear Information System (INIS)

Bell, A.M.T.; Henderson, C.M.B.

1996-01-01

Analysis of high-resolution synchrotron X-ray powder diffraction patterns for hydrothermally synthesized Rb 2 CdSi 5 O 12 and Cs 2 MnSi 5 O 12 leucite analogues, and dry-synthesized Cs 2 CoSi 5 O 12 and Cs 2 NiSi 5 O 12 leucite analogues showed that they have an orthorhombic Pbca structure. The structures have been refined by the Rietveld method, showing that the tetrahedrally coordinated atoms (Si, Cd, Mn, Co and Ni) are ordered on separate sites. The Cs 2 MnSi 5 O 12 , Cs 2 CoSi 5 O 12 and Cs 2 NiSi 5 O 12 leucite samples are unusual in containing SiO 4 tetrahedra which are more distorted, on average, than the larger MnO 4 , CoO 4 and NiO 4 tetrahedra. The JCPDS file numbers for Rb 2 CdSi 5 O 12 , Cs 2 MnSi 5 O 12 and Cs 2 CoSi 5 O 12 are 46-1491, 46-1492 and 46-1493, respectively. (orig.)

Structure of Ni-rich Ni--Cr--B--Si coating alloys

International Nuclear Information System (INIS)

Knotek, O.; Lugscheider, E.; Reimann, H.

1975-01-01

The structures of quaternary, nickel-rich Ni--Cr--B--Si alloys were analyzed at a constant boron content of 10 at. percent and a temperature of 850 0 C. The composition range for silicide formation was determined. In these quaternary alloys, known binary nickel silicides, nickel and chromium borides, and the ternary silico-boride Ni 6 Si 2 B were confirmed. A new composition for the W 5 Si 3 -type phase in the Ni--B--Si system was proposed. (U.S.)

The Ce-Ni-Si system as a representative of the rare earth-Ni-Si family: Isothermal section and new rare-earth nickel silicides

Energy Technology Data Exchange (ETDEWEB)

Morozkin, A.V., E-mail: morozkin@tech.chem.msu.ru [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, Moscow, GSP-1, 119991 (Russian Federation); Knotko, A.V.; Garshev, A.V. [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, Moscow, GSP-1, 119991 (Russian Federation); Faculty of Materials Science, Moscow State University, Leninskie Gory, House 1, Building 73, Moscow, GSP-1, 119991 (Russian Federation); Yapaskurt, V.O. [Department of Petrology, Geological Faculty Moscow State University, Leninskie Gory, Moscow 119991 (Russian Federation); Nirmala, R. [Indian Institute of Technology Madras, Chennai 600036 (India); Quezado, S.; Malik, S.K. [Departamento de Física Teórica e Experimental, Universidade Federal do Rio Grande do Norte, Natal, 59082-970 (Brazil)

2016-11-15

The Ce-Ni-Si system has been investigated at 870/1070 K by X-ray and microprobe analyses. The existence of the known compounds, i.e.: Ce{sub 2}Ni{sub 15.8}Si{sub 1.2} (Th{sub 2}Ni{sub 17}-type), Ce{sub 2}Ni{sub 15-14}Si{sub 2-3} (Th{sub 2}Zn{sub 17}-type), CeNi{sub 8.6}Si{sub 2.4} (BaCd{sub 11}-type), CeNi{sub 8.8}Si{sub 4.2} (LaCo{sub 9}Si{sub 4}-type), CeNi{sub 6}Si{sub 6} (CeNi{sub 6}Si{sub 6}-type), CeNi{sub 5}Si{sub 1-0.3} (TbCu{sub 7}-type), CeNi{sub 4}Si (YNi{sub 4}Si-type), CeNi{sub 2}Si{sub 2} (CeGa{sub 2}Al{sub 2}-type), Ce{sub 2}Ni{sub 3}Si{sub 5} (U{sub 2}Co{sub 3}Si{sub 5}-type), Ce{sub 3}Ni{sub 6}Si{sub 2} (Ce{sub 3}Ni{sub 6}Si{sub 2}-type), Ce{sub 3}Ni{sub 4}Si{sub 4} (U{sub 3}Ni{sub 4}Si{sub 4}-type), CeNiSi{sub 2} (CeNiSi{sub 2}-type), ~CeNi{sub 1.3}Si{sub 0.7} (unknown type structure), Ce{sub 6}Ni{sub 7}Si{sub 4} (Pr{sub 6}Ni{sub 7}Si{sub 4}-type), CeNiSi (LaPtSi-type), CeNi{sub 0.8-0.3}Si{sub 1.2-1.7} (AlB{sub 2}-type), ~Ce{sub 2}Ni{sub 2}Si (unknown type structure), ~Ce{sub 4.5}Ni{sub 3.5}Si{sub 2} (unknown type structure), Ce{sub 15}Ni{sub 7}Si{sub 10} (Pr{sub 15}Ni{sub 7}Si{sub 10}-type), Ce{sub 5}Ni{sub 1.85}Si{sub 3} (Ce{sub 5}Ni{sub 1.85}Si{sub 3}-type), Ce{sub 6}Ni{sub 1.4}Si{sub 3.4} (Ce{sub 6}Ni{sub 1.67}Si{sub 3}-type), Ce{sub 7}Ni{sub 2}Si{sub 5} (Ce{sub 7}Ni{sub 2}Si{sub 5}-type) and Ce{sub 3}NiSi{sub 3} (Y{sub 3}NiSi{sub 3}-type) has been confirmed in this section. Moreover, the type structure has been determined for ~Ce{sub 2}Ni{sub 2}Si (Mo{sub 2}NiB{sub 2}-type Ce{sub 2}Ni{sub 2.5}Si{sub 0.5}) and ~Ce{sub 4.5}Ni{sub 3.5}Si{sub 2} (W{sub 3}CoB{sub 3}-type Ce{sub 3}Ni{sub 3-2.7}Si{sub 1-1.3}) and new ternary phases Ce{sub 2}Ni{sub 6.25}Si{sub 0.75} (Gd{sub 2}Co{sub 7}-type), CeNi{sub 7-7.6}Si{sub 6-5.4} (GdNi{sub 7}Si{sub 6}-type) and ~Ce{sub 27}Ni{sub 42}Si{sub 31} (unknown type structure) have been identified in this system. Quasi-binary phases, solid solutions, were detected at 870/1070 K for CeNi{sub 5}, CeNi{sub 3} and CeSi

Influence of Aging Products on Tensile Deformation Behavior of Al-0.62 mass%Mg-0.32 mass%Si Alloy

DEFF Research Database (Denmark)

Akiyoshi, Ryutaro; Ikeda, Ken-ichi; Hata, Satoshi

2015-01-01

mechanism, by estimating the Orowan stress and considering crystal structure of beta '' precipitates. In contrast, the aged alloys with Mg-Si clusters showed excellent performance of uniform elongation due to large work hardening compared to those of the alloy with beta '' precipitates. Dislocations......Tensile tests and microstructural observations were carried out to investigate the influence of aging products on tensile deformation behavior of Al-0.62 mass. Mg-0.32 mass-Si alloy. Solution-treated alloys were aged to form needle-like beta ''. precipitates or Mg-Si clusters. The aged alloy...... with beta '' precipitates showed higher yield stress than that with Mg-Si clusters. Transmission electron microscopy observations revealed that the beta '' precipitates pinned dislocations. It was suggested that the strengthening types of the alloy with beta '' precipitates were both Orowan and cutting...

Structural-microstructural characteristics and its correlations with the superconducting properties of in situ PIT-processed MgB{sub 2} tapes with ethyltoluene and SiC powder added

Energy Technology Data Exchange (ETDEWEB)

Asthana, Anjana; Matsumoto, A; Kitaguchi, H; Kumakura, H [Superconducting Materials Center, National Institute for Materials Science, 1-1-2 Sengen, Tsukuba, 305-0047 (Japan); Matsui, Y; Hara, T; Watanabe, K [Advanced Electron Microscopy Group, National Institute for Materials Science, 1-1-1 Namiki, Tsukuba, 305-0044 (Japan); Yamada, H; Uchiyama, N [Maglev System Development Division, Central Japan Railways Company, 1545-33, Ooyama, Komaki, Aichi 485-0801 (Japan)], E-mail: anjana.ASTHANA@nims.go.jp

2008-11-15

We performed structural-microstructural investigations of pure MgB{sub 2}, ethyltoluene and both ethyltoluene- and SiC-added MgB{sub 2}/Fe tapes. The analysis of the microstructure shows that the grain size for the pure and ethyltoluene-added MgB{sub 2} tape sample is in the range of 10-100 nm. However, with the addition of both ethyltoluene and SiC, the grain size decreases to about 5-80 nm. The a-axis length of the ethyltoluene-added tape samples is slightly decreased, whereas for both ethyltoluene- and SiC-added samples, the a-axis length is decreased by 0.4% as compared to the pure MgB{sub 2} tape sample, showing the amount of carbon substitution is less in ethyltoluene-added tape samples. The reason for the higher J{sub c} values of the ethyltoluene-added MgB{sub 2} tape sample as compared to the pure MgB{sub 2} tapes is the presence of a lesser amount of the impurity phase, MgO. The large improvement in J{sub c}-B properties for the ethyltoluene- and SiC-added MgB{sub 2} tape sample is attributed to (1) the enhancement of upper critical field, B{sub c2}, by the substitution of carbon for boron, (2) pinning by nanosized (5-20 nm) particles of Mg{sub 2}Si and other silicides, (3) enhanced grain boundary pinning due to the smaller grain size and (4) the presence of a lesser amount of impurity phase, MgO, as compared to the pure sample.

Study of the neutron-rich nuclei with N=21, sup 3 sup 5 Si and sup 3 sup 3 Mg, by beta decay of sup 3 sup 5 Al and sup 3 sup 3 Na

CERN Document Server

Nummela, S; Caurier, E; Courtin, S; Dessagne, P; Holmlund, E; Jokinen, A; Knipper, A; Le Scornet, G; Mieh, C; Nowacki, F; Lyapin, L G; Oinonen, M; Poirier, E; Radivojevic, Z; Ramdhane, M; Trzaska, W H; Walter, G; Äystö, J

2002-01-01

The first information on the level structure of the N=21 nuclei, sup 3 sup 5 Si and sup 3 sup 3 Mg, has been obtained by the beta decay study of sup 3 sup 5 Al and sup 3 sup 3 Na, produced by fragmentation of an UC target with 1.4 GeV protons at CERN/ISOLDE. The experimental technique involved beta-gamma, beta-gamma-gamma, and beta-n-gamma coincidences, neutron spectra being obtained by time of flight measurements. Gamma detection was made either using large Ge counters or small BaF sub 2 scintillators (for lifetime measurements). In the case of the sup 3 sup 5 Al decay, (T sub 1 sub / sub 2 =41.6(2.2) ms), a simple structure has been found for the level scheme of sup 3 sup 5 Si (Z=14, N=21) which has been interpreted with the level sequence : 7/2 sup - , 3/2 sup - and 3/2 sup + corresponding respectively to the ground state and the states at 910 and 974 keV. The life-time of the 974 keV [T sub 1 sub / sub 2 =5.9(6) ns] is found consistent with the proposed level scheme and multipolarities. The investigation ...

Preparation of Mg2FeH6 Nanoparticles for Hydrogen Storage Properties

Directory of Open Access Journals (Sweden)

N. A. Niaz

2013-01-01

Full Text Available Magnesium (Mg and iron (Fe nanoparticles are prepared by thermal decomposition of bipyridyl complexes of metals. These prepared Mg-Fe (2 : 1 nanoparticles are hydrogenated under 4 MPa hydrogen pressure and 673 K for 48 hours to achieve Mg2FeH6. Their structural analysis was assessed by applying manifold techniques. The hydrogen storage properties of prepared compound were measured by Sieverts type apparatus. The desorption kinetics were measured by high pressure thermal desorption spectrometer (HP-TDS. More than 5 wt% hydrogen released was obtained by the Mg2FeH6 within 5 min, and during rehydrogenation very effective hydrogen absorption rate was observed by the compound.

Rare earth ruthenium gallides with the ideal composition Ln_2Ru_3Ga_5 (Ln = La-Nd, Sm) crystallizing with U_2Mn_3Si_5 (Sc_2Fe_3Si_5) type structure

International Nuclear Information System (INIS)

Jeitschko, Wolfgang; Schlueter, Martin

2010-01-01

The rare earth ruthenium gallides Ln_2Ru_3Ga_5 (Ln = La, Ce, Pr, Nd, Sm) were prepared by arc-melting of cold-pressed pellets of the elemental components. They crystallize with a tetragonal structure (P4/mnc, Z = 4) first reported for U_2Mn_3Si_5. The crystal structures of the cerium and samarium compounds were refined from single-crystal X-ray data, resulting in significant deviations from the ideal compositions: Ce_2Ru_2_._3_1_(_1_)Ga_5_._6_9_(_1_), a = 1135.10(8) pm, c = 580.58(6) pm, R_F = 0.022 for 742 structure factors; Sm_2Ru_2_._7_3_(_2_)Ga_5_._2_7_(_2_), a = 1132.95(9) pm, c = 562.71(6) pm, R_F = 0.026 for 566 structure factors and 32 variable parameters each. The deviations from the ideal compositions 2:3:5 are discussed. A mixed Ru/Ga occupancy occurs only for one atomic site. The displacement parameters are relatively large for atoms with mixed occupancy within their coordination shell and small for atoms with no neighboring sites of mixed occupancy. Chemical bonding is analyzed on the basis of interatomic distances. Ln-Ga bonding is stronger than Ln-Ru bonding. Ru-Ga bonding is strong and Ru-Ru bonding is weak. The Ga-Ga interactions are of similar strength as in elemental gallium. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

Microstructural evolution of direct chill cast Al-15.5Si-4Cu-1Mg-1Ni-0.5Cr alloy during solution treatment

OpenAIRE

He Kezhun; Yu Fuxiao; Zhao Dazhi

2011-01-01

Heat treatment has important influence on the microstructure and mechanical properties of Al-Si alloys. The most common used heat treatment method for these alloys is solution treatment followed by age-hardening. This paper investigates the microstructural evolution of a direct chill (DC) cast Al-15.5Si-4Cu-1Mg-1Ni-0.5Cr alloy after solution treated at 500, 510, 520 and 530℃, respectively for different times. The major phases observed in the as-cast alloy are α-aluminum dendrite, primary Si p...

Lattice stability and formation energies of intrinsic defects in Mg2Si and Mg2Ge via first principles simulations

International Nuclear Information System (INIS)

Jund, Philippe; Viennois, Romain; Tédenac, Jean-Claude; Colinet, Catherine; Hug, Gilles; Fèvre, Mathieu

2013-01-01

We report an ab initio study of the semiconducting Mg 2 X (with X = Si, Ge) compounds and in particular we analyze the formation energies of the different point defects with the aim of understanding the intrinsic doping mechanisms. We find that the formation energy of Mg 2 Ge is 50% larger than that of Mg 2 Si, in agreement with the experimental tendency. From a study of the stability and the electronic properties of the most stable defects, taking into account the growth conditions, we show that the main cause of the n doping in these materials comes from interstitial magnesium defects. Conversely, since other defects acting like acceptors such as Mg vacancies or multivacancies are more stable in Mg 2 Ge than in Mg 2 Si, this explains why Mg 2 Ge can be of n or p type, in contrast to Mg 2 Si. The finding that the most stable defects are different in Mg 2 Si and Mg 2 Ge and depend on the growth conditions is important and must be taken into account in the search for the optimal doping to improve the thermoelectric properties of these materials.

Influence of Sc on microstructure and mechanical properties of Al-Si-Mg-Cu-Zr alloy

Science.gov (United States)

Li, Yukun; Du, Xiaodong; Zhang, Ya; Zhang, Zhen; Fu, Junwei; Zhou, Shi'ang; Wu, Yucheng

2018-02-01

In the present study, the effects of Mg, Cu, Sc and Zr combined additions on the microstructure and mechanical properties of hypoeutectic Al-Si cast alloy were systematically investigated. Characterization techniques such as optical microscopy (OM), scanning electron microscope (SEM), energy dispersive spectrometer (EDS), electron back-scatter diffraction (EBSD), atomic force microscopy (AFM), transmission electron microscope (TEM), Brinell hardness tester and universal testing machine were employed to analyze the microstructure and mechanical properties. The results showed that Sc served as modifier on the microstructure of Al-3Si-0.45Mg-0.45Cu-0.2Zr alloys, including modification of eutectic Si and grains. Extraordinarily, grain refinement was found to be related to the primary particles, which exhibited a close orientation to matrix. After T6 heat treatment, the grain structures were composed of nano-scaled secondary Al3(Sc, Zr) precipitates and spherical eutectic Si. Combined with T6 heat treatment, the highest hardness, yield strength, ultimate tensile strength and elongation were achieved in 0.56 wt.% Sc-modified alloy. Interestingly, the strength and ductility had a similar tendency. This paper demonstrated that combined additions of Mg, Cu, Sc and Zr could significantly improve the microstructure and performance of the hypoeutectic Al-Si cast alloy.

CHARACTERIZATION OF PHASES IN SECONDARY AlZn10Si8Mg CAST ALLOY

Directory of Open Access Journals (Sweden)

Eva Tillová

2011-04-01

Full Text Available Using recycled aluminium cast alloys is profitable in many aspects. Requiring only 5 % of the energy to produce secondary metal as compared to primary metal and generates only 5 % of the green house gas emissions, the recycling of aluminium is therefore beneficial of both environmental and economical point of view. Secondary AlZn10Si8Mg (UNIFONT® - 90 cast alloy are used for engine and vehicle constructions, hydraulic unit and mouldmaking without heat treatment. Properties include good castability, very good mechanical strength and elongation, light weight, good wear resistance, low thermal expansion and very good machining. Improved mechanical properties are strongly dependent upon the morphologies, type and distribution of the secondary phases, which are in turn a function of alloy composition and cooling rate. The presence of additional elements as Mg, Mn, Fe, or Cu allows many complex intermetallic phases to form, which make characterisation non-trivial. These include, for example, Mg2Si, Al2CuMg and AlFeMn phases, all of which may have some solubility for additional elements. Phase’s identification in aluminium alloys is often non-trivial due to the fact that some of the phases have either similar crystal structures or only subtle changes in their chemistries. A combination different analytical techniques (light microscopy upon black-white and colour etching, scanning electron microscopy (SEM upon deep etching, energy dispersive X-ray analysis (EDX and HV 0.01 microhardness measurement were therefore been used for the identification of the various phase.

Hydrogen absorption kinetics and structural properties of Mg85Ni10Ca5 and Mg90Ni10

International Nuclear Information System (INIS)

Aoki, Masakazu; Saito, Katsushi; Towata, Shin-ichi

2005-01-01

Mg 85 Ni 10 Ca 5 and Mg 90 Ni 10 were prepared by melting mixtures of the elements in mild steel crucibles and pouring them into copper molds. Hydrogen absorption kinetics and structural properties of the alloys were characterized by the volumetric method using a Sievert's apparatus, X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The crystallite size of Mg in Mg 85 Ni 10 Ca 5 , which is evaluated by XRD peak broadening, is about 50% smaller than that in Mg 90 Ni 10 . In addition, the nanometer-scale structure composed of Mg, Mg 2 Ni, Mg 2 Ca was observed in Mg 85 Ni 10 Ca 5 . Mg 85 Ni 10 Ca 5 shows better hydrogen absorption kinetics than Mg 90 Ni 10 in the temperature range of room temperature to 573 K. The better absorption kinetics of Mg 85 Ni 10 Ca 5 is mainly attributed to the nanometer-scale structure

Mg{sub 2}Sn heterostructures on Si(111) substrate

Energy Technology Data Exchange (ETDEWEB)

Dózsa, L., E-mail: dozsa@mfa.kfki.hu [Institute of Technical Physics and Materials Science, Centre for Energy Research, Hungarian Academy of Sciences, 1525 Budapest Pf, 49 (Hungary); Galkin, N.G. [Institute of Automation and Control Processes of FEB RAS, 5 Radio St., Vladivostok 690041 (Russian Federation); Far Eastern Federal University, 8 Sukhanova St., Vladivostok 690950 (Russian Federation); Pécz, B.; Osváth, Z.; Zolnai, Zs. [Institute of Technical Physics and Materials Science, Centre for Energy Research, Hungarian Academy of Sciences, 1525 Budapest Pf, 49 (Hungary); Németh, A. [Wigner Research Centre for Physics, Institute for Particle and Nuclear Physics, 1525 Budapest, P.O.B. 49 (Hungary); Galkin, K.N.; Chernev, I.M. [Institute of Automation and Control Processes of FEB RAS, 5 Radio St., Vladivostok 690041 (Russian Federation); Dotsenko, S.A. [Institute of Automation and Control Processes of FEB RAS, 5 Radio St., Vladivostok 690041 (Russian Federation); Far Eastern Federal University, 8 Sukhanova St., Vladivostok 690950 (Russian Federation)

2017-05-31

Highlights: • Investigations show that the nanostructures have significant changes during the applied regular experimental investigations. • It is especially true for transmittance electron microscopy, where the investigated layers have to be thinned near to the nanostructure size. • The time order of the applied experimental investigation has a dominant effect on the experimetal results. - Abstract: Thin un-doped and Al doped polycrystalline Mg-stannide films consisting mainly of Mg{sub 2}Sn semiconductor phase have been grown by deposition of Sn-Mg multilayers on Si(111) p-type wafers at room temperature and annealing at 150 °C. Rutherford backscattering measurement spectroscopy (RBS) were used to determine the amount of Mg and Sn in the structures. Raman spectroscopy has shown the layers contain Mg{sub 2}Sn phase. Cross sectional transmission electron microscopy (XTEM) measurements have identified Mg{sub 2}Sn nanocrystallites in hexagonal and cubic phases without epitaxial orientation with respect to the Si(111) substrate. Significant oxygen concentration was found in the layer both by RBS and TEM. The electrical measurements have shown laterally homogeneous conductivity in the grown layer. The undoped Mg{sub 2}Sn layers show increasing resistivity with increasing temperature indicating the scattering process dominates the resistance of the layers, i.e. large concentration of point defects was generated in the layer during the growth process. The Al doped layer shows increase of the resistance at low temperature caused by freeze out of free carriers in the Al doped Mg{sub 2}Sn layer. The measurements indicate the necessity of protective layer grown over the Mg{sub 2}Sn layers, and a short time delay between sample preparation and cross sectionalTEM analysis, since the unprotected layer is degraded by the interaction with the ambient.

Ternary gallides RE_4Rh_9Ga_5, RE_5Rh_1_2Ga_7 and RE_7Rh_1_8Ga_1_1 (RE=Y, La-Nd, Sm, Gd, Tb). Intergrowth structures with MgCu_2 and CaCu_5 related slabs

International Nuclear Information System (INIS)

Seidel, Stefan; Rodewald, Ute C.; Poettgen, Rainer; Janka, Oliver

2017-01-01

Fourteen ternary gallides RE_4Rh_9Ga_5, RE_5Rh_1_2Ga_7 and RE_7Rh_1_8Ga_1_1 (RE=Y, La-Nd, Sm, Gd, Tb) were synthesized from the elements by arc-melting, followed by different annealing sequences either in muffle or induction furnaces. The samples were characterized through Guinier powder patterns and the crystal structures of Ce_4Rh_9Ga_5, Ce_5Rh_1_2Ga_7, Ce_7Rh_1_8Ga_1_1, Nd_5Rh_1_0_._4_4_(_4_)Ga_8_._5_6_(_4_), Nd_4Rh_9Ga_5 and Gd_4Rh_9Ga_5 were refined from single crystal X-ray diffractometer data. The new gallides are the n=2, 3 and 5 members of the RE_2_+_n Rh_3_+_3_n Ga_1_+_2_n structure series in the Parthe intergrowth concept. The slabs of these intergrowth structures derive from the cubic Laves phase MgCu_2 (Mg_2Ni_3Si as ternary variant) and CaCu_5 (CeCo_3B_2 as ternary variant). Only the Nd_5Rh_1_0_._4_4_(_4_)Ga_8_._5_6_(_4_) crystal shows Rh/Ga mixing within the Laves type slabs. Magnetic susceptibility measurements reveal Pauli paramagnetism for Y_4Rh_9Ga_5 and Curie-Weiss paramagnetism for Gd_4Rh_9Ga_5 and Tb_4Rh_9Ga_5. Low-temperature data show ferromagnetic ordering at T_C=78.1 (Gd_4Rh_9Ga_5) and 55.8 K (Tb_4Rh_9Ga_5).

Role and distribution of strontium during the dissolving and grain refining process of AlSi7Mg alloy's structure

Energy Technology Data Exchange (ETDEWEB)

Moldovan, P.; Popescu, G.; Zsigmond, M.; Apostolescu, I. [Universitatea Politehnica, Bucharest (Romania)

2002-07-01

The aim of this paper is the study of the modification of AlSi7Mg alloy with two types of master alloys: AlSr10 wire type and AlSr10 block type, at a temperature of 750 C with different contents of strontium. Due to the applicability of the AlSr10 master alloy wire type, the study was mainly elaborated on the dissolving process of this one. Due to this fact we used a 10 mm diameter wire of AlSr10 master alloy, which was introduced in the melt. After the grain refining process we obtained a sample, which was cut at different heights for a better observation of the alloy structure. We can notice that the grain refining degree is not uniform along the sample. Strontium as a grain refiner equalize the qualities of sodium but is much more efficient and keeps its grain refining properties for a longer period of time. The efficiency of the two types of master alloys was compared by the grain refinement degree of AlSi7Mg alloy function of the distance till the lower part of the casting mould and by determination of the grain refinement degree function of strontium content added. We made a micrographic study of the pieces of the sample and we used an optical microscope (OLYMPUS BX 60M) and the image analyzing system was OMNIMENT EXPRESS. Analyzing the results of this study we can see that the AlSi7Mg alloy grain refining degree doesn't depend too much on the form of the master alloy (if is wire or block) but grain refining time is increased when we use block types of master alloy. Also we can see that the cooling rate has a significant influence on the grain refinement degree. The industrial application of the AlSr master alloys are mainly for the light alloys ingots producers and light alloys casting plant for the obtaining of high quality components required by automotive and aeronautical industry. (orig.)

Thermodynamic description of the Al-Cu-Mg-Mn-Si quinary system and its application to solidification simulation

International Nuclear Information System (INIS)

Chang, Keke; Liu, Shuhong; Zhao, Dongdong; Du, Yong; Zhou, Liangcai; Chen, Li

2011-01-01

By means of the first-principles calculations, the enthalpy of formation for the quaternary phase in the Al-Cu-Mg-Si system was computed. A set of self-consistent thermodynamic parameters for the Al-Cu-Mg-Si and Al-Cu-Mn-Si systems was then obtained using CALPHAD approach taking into account the reliable experimental data and the first-principles calculations. The thermodynamic database for the Al-Cu-Mg-Mn-Si system was developed based on the constituent binary, ternary, and quaternary systems. Comprehensive comparisons between the calculated and measured phase diagrams and invariant reactions showed that the experimental information was satisfactorily accounted for by the present thermodynamic description. The obtained database was used to describe the solidification behavior of Al alloys B319.1 (90.2Al-6Si-3.5Cu-0.3Mg, in wt.%) and B319.1 + xMn (x = 0.5-2, in wt.%) under Gulliver-Scheil non-equilibrium condition. The reliability of the present thermodynamic database was also verified by the good agreement between calculation and experiment for Gulliver-Scheil non-equilibrium solidification.

Electronic structure and chemical bonding in LaIrSi-type intermetallics

Energy Technology Data Exchange (ETDEWEB)

Matar, Samir F. [Bordeaux Univ., Pessac (France). CNRS; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Nakhl, Michel [Univ. Libanaise, Fanar (Lebanon). Ecole Doctorale Sciences et Technologies

2017-05-01

The cubic LaIrSi type has 23 representatives in aluminides, gallides, silicides, germanides, phosphides, and arsenides, all with a valence electron count of 16 or 17. The striking structural motif is a three-dimensional network of the transition metal (T) and p element (X) atoms with TX{sub 3/3} respectively XT{sub 3/3} coordination. Alkaline earth or rare earth atoms fill cavities within the polyanionic [TX]{sup δ-} networks. The present work presents a detailed theoretical study of chemical bonding in LaIrSi-type representatives, exemplarily for CaPtSi, BaIrP, BaAuGa, LaIrSi, CeRhSi, and CeIrSi. DFT-GGA-based electronic structure calculations show weakly metallic compounds with itinerant small magnitude DOSs at E{sub F} except for CeRhSi whose large Ce DOS at E{sub F} leads to a finite magnetization on Ce (0.73 μ{sub B}) and induced small moments of opposite sign on Rh and Si in a ferromagnetic ground state. The chemical bonding analyses show dominant bonding within the [TX]{sup δ-} polyanionic networks. Charge transfer magnitudes were found in accordance with the course of the electronegativites of the chemical constituents.

Preparation and characterization of mechanically alloyed AB3-type based material LaMg2Ni5Al4 and its solid-gaz hydrogen storage reaction

Science.gov (United States)

Jaafar, Hassen; Aymard, Luc; Dachraoui, Walid; Demortière, Arnaud; Abdellaoui, Mohieddine

2018-04-01

We developed in the present paper the synthesis of a new AB3-type compound LaMg2Ni5Al4 by mechanical alloying (MA) process. ​​X-ray diffraction analysis (XRD) was used to determine the structural properties and the phase evolution of the powder mixtures. Two different synthesis pathways have been investigated. The first starting from elemental metals and the second from a mixture of two binary compounds LaNi5 (CaCu5-type structure, P6/mmm space group) and Al(Mg) solid solution (cubic Fm-3 m space group). The results show multiphase alloys which contain LaMg2Ni5Al4 main phase with hexagonal PuNi3-type structure (R-3 m space group). Rietveld analysis shows that using a planetary ball mill, we obtain a good yield of LaMg2Ni5Al4 compound after 5 h of mechanical alloying for both synthesis pathways. TEM analysis confirmed XRD results. SEM-EDX analysis of the final product was in agreement with the nominal chemical formula. A setup of possible solid-gaz hydrogenation reaction will be described so far at the end of this work. Electrochemical results demonstrate evidence on hydrogen absorption in the AB3 material and the discharge capacity was equal to 5.9 H/f.u.

X-ray Raman scattering study of MgSiO₃ glass at high pressure: Implication for triclustered MgSiO₃ melt in Earth's mantle

Energy Technology Data Exchange (ETDEWEB)

Lee, Sung Keun; Lin, Jung-Fu; Cai, Yong Q.; Hiraoka, Nozomu; Eng, Peter J.; Okuchi, Takuo; Mao, Ho-kwang; Meng, Yue; Hu, Michael Y.; Chow, Paul; Shu, Jinfu; Li, Baosheng; Fukui, Hiroshi; Lee, Bum Han; Kim, Hyun Na; Yoo, Choong-Shik [SNU; (LLNL); (NSRRC); (Okayama); (UC); (CIW); (Wash State U); (Nagoya); (SBU)

2015-02-09

Silicate melts at the top of the transition zone and the core-mantle boundary have significant influences on the dynamics and properties of Earth's interior. MgSiO₃-rich silicate melts were among the primary components of the magma ocean and thus played essential roles in the chemical differentiation of the early Earth. Diverse macroscopic properties of silicate melts in Earth's interior, such as density, viscosity, and crystal-melt partitioning, depend on their electronic and short-range local structures at high pressures and temperatures. Despite essential roles of silicate melts in many geophysical and geodynamic problems, little is known about their nature under the conditions of Earth's interior, including the densification mechanisms and the atomistic origins of the macroscopic properties at high pressures. Here, we have probed local electronic structures of MgSiO₃ glass (as a precursor to Mg-silicate melts), using high-pressure x-ray Raman spectroscopy up to 39 GPa, in which high-pressure oxygen K-edge features suggest the formation of tricluster oxygens (oxygen coordinated with three Si frameworks; ^[3]O) between 12 and 20 GPa. Our results indicate that the densification in MgSiO₃ melt is thus likely to be accompanied with the formation of triculster, in addition to a reduction in nonbridging oxygens. The pressure-induced increase in the fraction of oxygen triclusters >20 GPa would result in enhanced density, viscosity, and crystal-melt partitioning, and reduced element diffusivity in the MgSiO₃ melt toward deeper part of the Earth's lower mantle.

Laser cladding of a Mg based Mg–Gd–Y–Zr alloy with Al–Si powders

International Nuclear Information System (INIS)

Chen, Erlei; Zhang, Kemin; Zou, Jianxin

2016-01-01

Graphical abstract: A Mg based Mg–Gd–Y–Zr alloy was treated by laser cladding with Al–Si powders at different laser scanning speeds. The laser clad layer mainly contains Mg_2Si, Mg_1_7Al_1_2 and Al_2(Gd,Y) phases distributed in the Mg matrix. After laser cladding, the corrosion resistance of the Mg alloy was significantly improved together with increased microhardness in the laser clad layers. - Highlights: • A Mg based Mg–Gd–Y–Zr alloy was laser clad with Al–Si powders. • The microstructure and morphology vary with the depth of the clad layer and the laser scanning speed. • Hardness and corrosion resistance were significantly improved after laser cladding. - Abstract: In the present work, a Mg based Mg–Gd–Y–Zr alloy was subjected to laser cladding with Al–Si powders at different laser scanning speeds in order to improve its surface properties. It is observed that the laser clad layer mainly contains Mg_2Si, Mg_1_7Al_1_2 and Al_2(Gd,Y) phases distributed in the Mg matrix. The depth of the laser clad layer increases with decreasing the scanning speed. The clad layer has graded microstructures and compositions. Both the volume fraction and size of Mg_2Si, Mg_1_7Al_1_2 and Al_2(Gd,Y) phases decreases with the increasing depth. Due to the formation of these hardening phases, the hardness of clad layer reached a maximum value of HV440 when the laser scanning speed is 2 mm/s, more than 5 times of the substrate (HV75). Besides, the corrosion properties of the untreated and laser treated samples were all measured in a NaCl (3.5 wt.%) aqueous solution. The corrosion potential was increased from −1.77 V for the untreated alloy to −1.13 V for the laser clad alloy with scanning rate of 2 mm/s, while the corrosion current density was reduced from 2.10 × 10"−"5 A cm"−"2 to 1.64 × 10"−"6 A cm"−"2. The results show that laser cladding is an efficient method to improve surface properties of Mg–Rare earth alloys.

Cerium intermetallics with TiNiSi-type structure

Energy Technology Data Exchange (ETDEWEB)

Janka, Oliver; Niehaus, Oliver; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Chevalier, Bernard [Bordeaux Univ. CNRS (UPR 9048), Pessac (France). Inst. de Chimie de la Matiere Condensee de Bordeaux (ICMCB)

2016-08-01

Intermetallic compounds with the equiatomic composition CeTX that crystallize with the orthorhombic TiNiSi-type structure can be synthesized with electron-rich transition metals (T) and X = Zn, Al, Ga, Si, Ge, Sn, As, Sb, and Bi. The present review focusses on the crystal chemistry and chemical bonding of these CeTX phases and on their physical properties, {sup 119}Sn and {sup 121}Sb Moessbauer spectra, high-pressure effects, hydrogenation reactions and the formation of solid solutions in order to elucidate structure-property relationships. This paper is the final one of a series of four reviews on equiatomic intermetallic cerium compounds [Part I: Z. Naturforsch. 2015, 70b, 289; Part II: Z. Naturforsch. 2015, 70b, 695; Part III: Z. Naturforsch. 2016, 71b, 165].

Structure and superconductivity of double-doped Mg1-x(Al0.5Li0.5)xB2

DEFF Research Database (Denmark)

Xu, G.J.; Grivel, Jean-Claude; Abrahamsen, A.B.

2003-01-01

A series of polycrystalline samples of Mg1-x(Al0.5Li0.5)(x)B-2 (0less than or equal toxless than or equal to0.6) were prepared by a solid state reaction method and their structure, superconducting transition temperature and magneto-transport properties were investigated by means of X-ray diffract......A series of polycrystalline samples of Mg1-x(Al0.5Li0.5)(x)B-2 (0less than or equal toxless than or equal to0.6) were prepared by a solid state reaction method and their structure, superconducting transition temperature and magneto-transport properties were investigated by means of X......-ray diffraction (XRD), ac-susceptibility and resistance in varied magnetic fields. The double doping leads to decreases in both the lattice parameters a and c. The superconducting transition temperature (T-c) decreases with double doping, but the T-c is systematically higher than that of the single Al......-doped samples. It is suggested that the hole band filling has little effect on T-c at high doping level, while the disorder induced by doping plays an important role in suppressing T-c. A systematic comparison with Al-doped MgB2 of the structure, superconducting transition and irreversibility field is made. (C...

THE THERMODYNAMIC PROPERTIES OF MELTS OF DOUBLE SYSTEM MgO – Al2O3, MgO – SiO2, MgO – CaF2, Al2O3 – SiO2, Al2O3 – CaF2, SiO2 – CaF2

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В. Судавцова

2012-04-01

Full Text Available Methodology of prognostication of thermodynamics properties of melts is presented from the coordinatesof liquidus of diagram of the state in area of equilibria a hard component is solution, on which energies ofmixing of Gibbs are expected in the double border systems of MgO – Al2O3, MgO – SiO2, MgO – CaF2,Al2O3 – SiO2, Al2O3 - CaF2, SiO2 - CaF2. For the areas of equilibrium there is quasibinary connection(MgAl2O4, Mg2SiO4, Al6Si2O13 – a grout at calculations was used equalization of Hauffe-Wagner. Theobtained data comport with literary

Interface plasmon-phonons modes in ion-beam synthesized Mg2Si nanolayers

International Nuclear Information System (INIS)

Baleva, M.; Zlateva, G.

2009-01-01

Raman scattering of samples, representing n- and p-type Si matrix with unburied Mg 2 Si nanolayers, formed by ion-beam synthesis, are studied. Despite the features in the Raman spectra attributed to the polariton modes with frequencies between those of the TO and LO phonons, additional features outside this interval are detected. The frequencies of these features are very sensitive to the plasma frequency, being different in the n- and p-type Si matrix and to the annealing time. The latter implies the generation of interface plasmonphonons modes. The frequencies of the interface plasmon-phonon modes are calculated and compared with the experimental results. The order of the carrier concentration in Mg 2 Si, the data of which are not available in the literature, is evaluated. (authors)

Scandium effect on mechanical properties of Al-6.5 % Mg alloy

International Nuclear Information System (INIS)

Drits, M.E.; Toropova, L.S.; Bykov, Yu.G.

1982-01-01

Quantitative evaluation of influence of small scandium additions (up to 0.5 wt%) on properties of Al-6.5% Mg binary alloy are carried out depending on test temperature in the range of -196 to 310 deg C. Alloys were tested on ''Instron'' machine at 1.3x10 - 3 s - 1 strain rate. Scandium additions are shown to increase plasticity at -196 deg C. Yield strength also increases with introduction of 0.2% Sc if deformation temperature does not exceed 250 deg C. The growth of ultimate strength is less significant. Elevated strength properties of alloys with scandium additions can be explained by a fine-grained structure

Effect of T6 treatment on the coefficient of friction of Al25Mg2Si2Cu4Fe alloy

Science.gov (United States)

Sondur, D. G.; Mallapur, D. G.; Udupa, K. Rajendra

2018-04-01

Effect of T6 treatment on the coefficient of friction of Al25Mg2Si2Cu4Fe alloy was evaluated by conducting wear test on pin on disc wear testing machine. Wear test parameters such as the load and the speed were varied by keeping one constant and varying the other respectively. It was observed that the coefficient of friction is high for as cast condition due to the brittle microstructure. After T6 heat treatment the precipitates formed such as the Chinese scripts and the Mg2Si blocks got modified that lead to improvement in the hardness and the wear resistance. This reduces the coefficient of friction.

A Study of Phase Composition and Structure of Alloys of the Al - Mg - Si - Fe System

Science.gov (United States)

Mailybaeva, A. D.; Zolotorevskii, V. S.; Smagulov, D. U.; Islamkulov, K. M.

2017-03-01

The Thermo-Calc software is used to compute the phase transformations occurring during cooling of alloys. Polythermal and isothermal sections of the phase diagram of the Al - Mg - Si - Fe system are plotted. The phase composition and the structure of aluminum alloys in cast condition and after a heat treatment are studied experimentally.

Quantum-chemical study of structure and stability of hydride complexes Li4BeH6 and Li4MgH6

International Nuclear Information System (INIS)

Zyubin, A.S.; Charkin, O.P.; Klabo, D.A.; Shlojfer, P.R.

1993-01-01

Nonempirical calculations of geometrical structure, electronic structure and relative energies of a wide range of different configurations of Li 4 MH 6 (M = Be, Mg) molecules were conducted in order to predict the existence of complex hydrides with high hydrogen content. It was revealed, that Li 4 MH 6 molecules were stable to decomposition and could exist in isolated state or in inert matrices. Li 4 MH 6 systems are noted for existence of several isomers with energy, close to the basic structure. The presence of M atoms with coordination number (CN) equal to four is considered to be their common feature. The structure, where CN of Be and Mg is equal to three, are less stable. Configurations, including M atoms with CN = 5 or 6, are much more unfavorable from the viewpoint of energy

Development and Characterisation of Aluminium Matrix Nanocomposites AlSi10Mg/MgAl2O4 by Laser Powder Bed Fusion

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Giulio Marchese

2018-03-01

Full Text Available Recently, additive manufacturing techniques have been gaining attention for the fabrication of parts from aluminium alloys to composites. In this work, the processing of an AlSi10Mg based composite reinforced with 0.5% in weight of MgAl2O4 nanoparticles through laser powder bed fusion (LPBF process is presented. After an initial investigation about the effect of process parameters on the densification levels, the LPBF materials were analysed in terms of microstructure, thermo-mechanical and mechanical properties. The presence of MgAl2O4 nanoparticles involves an increment of the volumetric energy density delivered to the materials, in order to fabricate samples with high densification levels similar to the AlSi10Mg samples. However, the application of different building parameters results in modifying the size of the cellular structures influencing the mechanical properties and therefore, limiting the strengthening effect of the reinforcement.

Compared production behavior of borax and unborax premixed SiC reinforcement Al7Si-Mg-TiB alloys composites with semi-solid stir casting method

Science.gov (United States)

Haryono, M. B.; Sulardjaka, Nugroho, Sri

2016-04-01

The present study was aimed to investigate the effect of borax additive on physical and mechanical properties of Al7Si-Mg-TiB with the reinforcement of silicon carbide. In this case, the different weight percentage from the reinforcement of SiC (10, 15, and 20% wt), and the borax additive (ratio 1:4) were homogenously added into the matrix by employing the semi-solid stir casting method at the temperature of 590°C. Al7Si-Mg-TiB melted in an electric resistance furnace at 800°C for 25 minutes and the holding time of 5 minutes; SiC was stirred with borax inside the chamber and heated at the temperature of 250°C for 25 minutes. Then, it melted by lowing the temperature into 590°C. The SiC-borax mixture was added into the electric resistance furnace, and automatically stirred by the stirrer at a constant speed (500 rpm for 3 minutes) in the composite A17Si-Mg-TiB. It melted when heated at 750°C for 17minutes,then, casting was performed on the prepared mould. The characterizations of Al7Si-Mg-TiB-SiC/borax were porosity, hardness, and microstructure on the Al7Si-Mg-TiB-SiC/ borax. The porosity of AMC tended to increase along with the increaseof the wt% SiC (1.4%-3.6%); however, borax additive underwent a decrease in porosity (0.14%-1.3%). Further, hardness tended to improve along with the increase of wt% SiC. The unboraxmixture had 79,6 HRB up to 94 HRB. Whereas, the borax additive mixture had 105,8 HRB up to 121 HRB.

Melting relations in the MgO-MgSiO3 system up to 70 GPa

Science.gov (United States)

Ohnishi, Satoka; Kuwayama, Yasuhiro; Inoue, Toru

2017-06-01

Melting experiments in a binary system MgO-MgSiO3 were performed up to 70 GPa using a CO2 laser heated diamond anvil cell. The quenched samples were polished and analyzed by a dualbeam focused ion beam (FIB) and a field emission scanning electron microscope (FE-SEM), respectively. The liquidus phase and the eutectic composition were determined on the basis of textual and chemical analyses of sample cross sections. Our experimental results show that the eutectic composition is the Si/Mg molar ratio of 0.76 at 35 GPa and it decreases with increasing pressure. Above 45 GPa, it becomes relatively constant at about 0.64-0.65 Si/Mg molar ratio. Using our experimental data collected at a wide pressure range up to 70 GPa together with previous experimental data, we have constructed a thermodynamic model of the eutectic composition of the MgO-MgSiO3 system. The eutectic composition extrapolated to the pressure and temperature conditions at the base of the mantle is about 0.64 Si/Mg molar ratio. The modeled eutectic composition is quite consistent with a previous prediction from ab initio calculations (de Koker et al. in Earth Planet Sci Lett 361:58-63, 2013), suggesting that the simple assumption of a non-ideal regular solution model can well describe the melting relation of the MgO-MgSiO3 system at high pressure. Our results show that the liquidus phase changes from MgO-periclase to MgSiO3-bridgmanite at 35 GPa for the simplified pyrolite composition ( 0.7 Si/Mg molar ratio), while MgSiO3-bridgmanite is the liquidus phase at the entire lower mantle conditions for the chondritic composition ( 0.84 Si/Mg molar ratio).

Fate of half-metallicity near interfaces: The case of NiMnSb/MgO and NiMnSi/MgO

KAUST Repository

Zhang, Ruijing

2014-08-27

The electronic and magnetic properties of the interfaces between the half-metallic Heusler alloys NiMnSb, NiMnSi, and MgO have been investigated using first-principles density-functional calculations with projector augmented wave potentials generated in the generalized gradient approximation. In the case of the NiMnSb/MgO (100) interface, the half-metallicity is lost, whereas the MnSb/MgO contact in the NiMnSb/MgO (100) interface maintains a substantial degree of spin polarization at the Fermi level (∼60%). Remarkably, the NiMnSi/MgO (111) interface shows 100% spin polarization at the Fermi level, despite considerable distortions at the interface, as well as rather short Si/O bonds after full structural optimization. This behavior markedly distinguishes NiMnSi/MgO (111) from the corresponding NiMnSb/CdS and NiMnSb/InP interfaces. © 2014 American Chemical Society.

Experience melting through the Earth's lower mantle via LH-DAC experiments on MgO-SiO2 and CaO-MgO-SiO2 systems

Science.gov (United States)

Baron, Marzena A.; Lord, Oliver T.; Walter, Michael J.; Trønnes, Reidar G.

2015-04-01

The large low shear-wave velocity provinces (LLSVPs) and ultra-low velocity zones (ULVZs) of the lowermost mantle [1] are likely characterized by distinct chemical compositions, combined with temperature anomalies. The heterogeneities may have originated by fractional crystallization of the magma ocean during the earliest history of the Earth [2,3] and/or the continued accretion at the CMB of subducted basaltic oceanic crust [4,5]. These structures and their properties control the distribution and magnitude of the heat flow at the CMB and therefore the convective dynamics and evolution of the whole Earth. To determine the properties of these structures and thus interpret the seismic results, a good understanding of the melting phase relations of relevant basaltic and peridotitic compositions are required throughout the mantle pressure range. The melting phase relations of lower mantle materials are only crudely known. Recent experiments on various natural peridotitic and basaltic compositions [6-8] have given wide ranges of solidus and liquidus temperatures at lower mantle pressures. The melting relations for MgO, MgSiO3 and compositions along the MgO-SiO2 join from ab initio theory [e.g. 9,10] is broadly consistent with a thermodynamic model for eutectic melt compositions through the lower mantle based on melting experiments in the MgO-SiO2 system at 16-26 GPa [3]. We have performed a systematic study of the melting phase relations of analogues for peridotitic mantle and subducted basaltic crust in simple binary and ternary systems that capture the major mineralogy of Earth's lower mantle, using the laser-heated diamond anvil cell (LH-DAC) technique at 25-100 GPa. We determined the eutectic melting temperatures involving the following liquidus mineral assemblages: 1. bridgmanite (bm) + periclase (pc) and bm + silica in the system MgO-SiO2 (MS), corresponding to model peridotite and basalt compositions 2. bm + pc + Ca-perovskite (cpv) and bm + silica + cpv in the

Fundamental and excited states of F-type centres in MgSiO3 perovskite

International Nuclear Information System (INIS)

Stashans, Arvids; Piedra, Lorena; Briceno, Tamara

2010-01-01

Quantum-chemical modelling based on the Hartree-Fock methodology and a periodic supercell model is done to study oxygen vacancy and F-type centres in the perovskite-type MgSiO 3 crystal. The equilibrium geometry of defects is obtained, confirming the importance of electrostatic interaction in determination of atomic shifts. The calculated relaxation energies due to the defect formation are between 8 and 10 eV, thus evidencing favourability in the occurrence of such defects. The wave functions describing both F + and F centres are rather diffuse and the point defects are not well localised within the oxygen vacancy region. The Δ SCF computed absorption energies due to the F-type centres fall well within the ultraviolet spectrum, between 136 and 254 nm for the F + centre and between 163 and 248 nm for the F centre.

Novel barium triel/tetrelides with the Pu3Pd5 structure type

International Nuclear Information System (INIS)

Duerr, Ines; Schwarz, Michael; Wendorff, Marco; Roehr, Caroline

2010-01-01

A series of ternary barium triel(M III )/tetrel(M IV )-ides Ba 3 M x III M 5-x IV (M III =Ga,In;M IV =Si,Ge,Sn;x=0-0.7) has been prepared from melts of the elements. They all crystallize with the Pu 3 Pd 5 type structure (orthorhombic, space group Cmcm) exhibiting isolated M 5 clusters of slightly distorted nido shape (square pyramids). For the silicides, where the binary border compound Ba 3 Si 5 does not exist, the Pu 3 Pd 5 type is stabilized by substituting 0.7 Si atoms per formula unit against Ga (Ba 3 Ga 0.7 Si 4.3 :a=1024.82(1),b=856.58(1),c=1024.18(1) pm, R1=0.0220) or by a very small substitution of In (Ba 3 In 0.1 Si 4.9 :a=1017.8(2),b=852.5(2),c=1020.1(3) pm, R1=0.0406). A comparable situation is found for the corresponding germanides, where 0.7 atoms of In (Ba 3 In 0.7 Ge 4.3 :a=1051.3(2),b=864.05(14),c=1054.7(3) pm, R1=0.0248) or Ga (Ba 3 Ga x Ge 5-x :a=1035.1(1),b=861.5(1),c=1036.8(1) pm, R1=0.0148) are necessary to stabilize a Ge-rich compound of this structure type. For the stannides, the situation is somewhat different, because the binary phase Ba 3 Sn 5 itself forms the Pu 3 Pd 5 type. In this case, the structure type remains stable up to a Ga content of 0.5 Ga/f.u. (Ba 3 Ga 0.5 Sn 4.5 :a=1100.41(14),b=896.19(11),c=1111.82(14) pm, R1=0.0169) and also with a substantial In content (Ba 3 In x Sn 5-x :x∼0.9(1);a=1110.5(2),b=900.0(2),c=1120.7(2) pm, R1=0.0262). As the five-atom nido cluster requires only 24 valence electrons per formula unit according to Zintl and Wade, an excess of electrons would be assumed for the binary tetrelides such as Ba 3 Sn 5 (26 v.e./f.u.) that even the maximal amount of triel substitution 0.7 M III /f.u. attained in the title compounds cannot sufficiently compensate for. An assessment of the geometric influence of varied valence electron counts however, coupled with a detailed analysis of the calculated electron densities and the partial densities of states in the energy region above the pseudo band gap at 24 v

Utilisation of mould temperature change in eliminating the Al5FeSi phases in secondary AlSi7Mg0.3 alloy

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Bolibruchová D.

2017-03-01

Full Text Available This article describes the impact of the metal mould temperature change in eliminating the adverse effect of iron in the AlSi7Mg0.3 alloy. The kind of phases based on iron to be formed in aluminium alloys is determined by the alloy chemical composition, the melt overheating temperature prior to casting, and the cooling rate during crystallisation. In the experiment, we used three various mould temperatures, and their impact on the possible change in the adverse Al5FeSi phase, excreted in a needle form to a more compact form of Chinese writing or skeleton units. The experimental part did not use melt overheat that would result in impairment of the melt, for example due to increased gassing of the melt, as well as in a greater load on the smelting unit, thus resulting in increased energy expenditure. We can conclude from the obtained results that the mould temperature change does not have an adequate effect in eliminating the adverse effect of iron in Al-Si-Mg alloys.

Cu-segregation at the Q'/α-Al interface in Al-Mg-Si-Cu alloy

International Nuclear Information System (INIS)

Matsuda, Kenji; Teguri, Daisuke; Uetani, Yasuhiro; Sato, Tatsuo; Ikeno, Susumu

2002-01-01

Cu segregation was detected at the Q ' /α-Al interface in an Al-Mg-Si-Cu alloy by energy-filtered transmission electron microscopy. By contrast, in a Cu-free Al-Mg-Si alloy no segregation was observed at the interface between the matrix and Type-C precipitate

Effect of Alloy Elements on Microstructures and Mechanical Properties in Al-Mg-Si Alloys

Science.gov (United States)

Kato, Yoshikazu; Hisayuki, Koji; Sakaguchi, Masashi; Higashi, Kenji

Microstructures and mechanical properties in the modified Al-Mg-Si alloys with variation in the alloy elements and their contents were investigated to enhance higher strength and ductility. Optimizing both the alloy element design and the industrial processes including heat-treatments and extrusion technology was carried out along the recent suggestion from the first principles calculation. The investigation concluded that the addition of Fe and/or Cu could recovery their lost ductility, furthermore increase their tensile strength up to 420 MPa at high elongation of 24 % after T6 condition for Al-0.8mass%Mg-1.0mass%Si-0.8mass%Cu-0.5mass%Fe alloy with excess Si content. The excellent combination between strength and ductility could be obtained by improvement to the grain boundary embitterment caused by grain boundary segregation of Si as a result from the interaction of Si with Cu or Fe with optimizing the amount of Cu and Fe contents.

LOW-TEMPERATURE SINTERED (ZnMg2SiO4 MICROWAVE CERAMICS WITH TiO2 ADDITION AND CALCIUM BOROSILICATE GLASS

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BO LI

2011-03-01

Full Text Available The low-temperature sintered (ZnMg2SiO–TiO2 microwave ceramic using CaO–B2O3–SiO2 (CBS as a sintering aid has been developed. Microwave properties of (Zn1-xMgx2SiO4 base materials via sol-gel method were highly dependent on the Mg-substituted content. Further, effects of CBS and TiO2 additives on the crystal phases, microstructures and microwave characteristics of (ZnMg2SiO4 (ZMS ceramics were investigated. The results indicated that CBS glass could lower the firing temperature of ZMS dielectrics effectively from 1170 to 950°C due to the liquid-phase effect, and significantly improve the sintering behavior and microwave properties of ZMS ceramics. Moreover, ZMS–TiO2 ceramics showed the biphasic structure and the abnormal grain growth was suppressed by the pinning effect of second phase TiO2. Proper amount of TiO2 could tune the large negative temperature coefficient of resonant frequency (tf of ZMS system to a near zero value. (Zn0.8Mg0.22SiO4 codoped with 10 wt.% TiO2 and 3 wt.% CBS sintered at 950°C exhibits the dense microstructure and excellent microwave properties: εr = 9.5, Q·f = 16 600 GHz and tf = −9.6 ppm/°C.

In situ study of interface reactions of ion beam sputter deposited (Ba0.5Sr0.5)TiO3 films on Si, SiO2, and Ir

International Nuclear Information System (INIS)

Gao, Y.; Mueller, A.H.; Irene, E.A.; Auciello, O.; Krauss, A.; Schultz, J.A.

1999-01-01

(Ba 0.5 ,Sr 0.5 )TiO 3 (BST) thin films were deposited on MgO, Si, SiO 2 and Ir surfaces by ion beam sputter deposition in oxygen at 700 degree C. In situ spectroscopic ellipsometry (SE) has been used to investigate the evolution of the BST films on different surfaces during both deposition and postannealing processes. First, the optical constants of the BST films in the photon energy range of 1.5 - 4.5 eV were determined by SE analysis on crystallized BST films deposited on MgO single crystal substrates. The interfaces in BST/Si and BST/SiO 2 /Si structure were examined by SE and Auger electron spectroscopy depth profiles. Subcutaneous oxidation in the BST/Ir structure was observed by in situ SE during both ion beam sputter deposition and postdeposition annealing in oxygen at 700 degree C. A study of the thermal stability of the Ir/TiN/SiO 2 /Si structure in oxygen at 700 degree C was carried out using in situ SE. The oxidation of Ir was confirmed by x-ray diffraction. The surface composition and morphology evolution after oxidation were investigated by time of flight mass spectroscopy of recoiled ions (TOF-MSRI) and atomic force microscopy. It has been found that Ti from the underlying TiN barrier layer diffused through the Ir layer onto the surface and thereupon became oxidized. It was also shown that the surface roughness increases with increasing oxidation time. The implications of the instability of Ir/TiN/SiO 2 /Si structure on the performance of capacitor devices based on this substrate are discussed. It has been shown that a combination of in situ SE and TOF-MSRI provides a powerful methodology for in situ monitoring of complex oxide film growth and postannealing processes. copyright 1999 American Vacuum Society

Influence of spray forming process parameters on the microstructure and porosity of Mg{sub 2}Si rich aluminum alloys

Energy Technology Data Exchange (ETDEWEB)

Stelling, O.; Hehl, A. von [Foundation Institute for Material Science, Bremen (Germany); Uhlenwinkel, V. [University of Bremen, FB4 FG01 Department Process and Chemcial Engineering, Bremen (Germany); Krug, P. [PEAK Werkstoff GmbH, Velbert (Germany); Ellendt, N.

2010-07-15

Due to high cooling rates spray forming is an appropriate process to produce aluminum alloys with a high content of Mg{sub 2}Si. Compared to common casting processes, a fine microstructure can be achieved yielding in improved mechanical properties. In this work, billets were spray formed from the two alloys AlMg15Si8Cu2 (22 mass-% Mg{sub 2}Si) and AlMg20.5Si11Cu2 (30 mass-% Mg{sub 2}Si) under different spraying conditions. The analysis of the microstructure showed that the size of Mg{sub 2}Si dispersoids is very sensitive to process parameters. Besides the well known thermal effects of melt superheat (carried out from -40 K to +170 K) and GMR (varied from 2.0 to 6.3) a strong influence of the scanning frequency of the atomizer nozzle (7 Hz and 15 Hz) could be observed. Similar effects could be found for the occurrence of porosity. A new parameter, the enthalpy flow to gas flow ratio (EGR), was defined from these two parameters of which correlations of Mg{sub 2}Si dispersoid size and amount of porosity were found. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

Geometrical Structures and Electronic Properties of Ga6 and Ga5X (X = B, C, N, O, F, Al, Si, P, S, Cl Clusters

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Yanfei Hu

2018-04-01

Full Text Available Based on the unbiased CALYPSO (Crystal structure Analysis by Particle Swarm Optimization structure searching method in combination with density functional theory (DFT, the geometrical structures and electronic properties are investigated theoretically for Ga6 and Ga5X (X = B, C, N, O, F, Al, Si, P, S, Cl clusters. The PBE0 exchange-correlation functional and the 6-311G(d basis set is carried out to determine global minima on potential energy surfaces. The relative stabilities of the clusters are examined by the binding energies and substitution reaction. Following the predictions of the Jellium model, the Ga5B cluster with the 18 valence electrons is the most stable structure. At last, with the obtained lowest energy structures, some physical properties such as electrons transfer, molecular orbitals, and total and partial densities of states are discussed, respectively.

Optimization of Squeeze Parameters and Modification of AlSi7Mg Alloy

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Zyska A.

2013-06-01

Full Text Available The paper present the examination results concerning mechanical properties of castings made of AlSi7MG alloy in correlation both with the most significant squeeze casting parameters and with the modification treatment. Experiments were planned and held according to the 23 factorial design. The regression equations describing the influence of the squeeze pressure, the mould temperature, and the quantity of strontium modifier on the strength and elongation of the examined alloy were obtained. It was found that the main factor controlling the strength increase is the squeeze pressure, while the plasticity (A5 of the alloy is affected most advantageously by modification. The application of modification treatment in squeeze casting technology enables for production of the slab-type castings made of AlSi7Mg alloy exhibiting strength at the level of 230 MPa and elongation exceeding 14%.

Laser cladding of a Mg based Mg–Gd–Y–Zr alloy with Al–Si powders

Energy Technology Data Exchange (ETDEWEB)

Chen, Erlei [School of Materials Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China); Zhang, Kemin, E-mail: zhangkm@sues.edu.cn [School of Materials Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China); Zou, Jianxin [National Engineering Research Center of Light Alloys Net Forming & School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China)

2016-03-30

Graphical abstract: A Mg based Mg–Gd–Y–Zr alloy was treated by laser cladding with Al–Si powders at different laser scanning speeds. The laser clad layer mainly contains Mg{sub 2}Si, Mg{sub 17}Al{sub 12} and Al{sub 2}(Gd,Y) phases distributed in the Mg matrix. After laser cladding, the corrosion resistance of the Mg alloy was significantly improved together with increased microhardness in the laser clad layers. - Highlights: • A Mg based Mg–Gd–Y–Zr alloy was laser clad with Al–Si powders. • The microstructure and morphology vary with the depth of the clad layer and the laser scanning speed. • Hardness and corrosion resistance were significantly improved after laser cladding. - Abstract: In the present work, a Mg based Mg–Gd–Y–Zr alloy was subjected to laser cladding with Al–Si powders at different laser scanning speeds in order to improve its surface properties. It is observed that the laser clad layer mainly contains Mg{sub 2}Si, Mg{sub 17}Al{sub 12} and Al{sub 2}(Gd,Y) phases distributed in the Mg matrix. The depth of the laser clad layer increases with decreasing the scanning speed. The clad layer has graded microstructures and compositions. Both the volume fraction and size of Mg{sub 2}Si, Mg{sub 17}Al{sub 12} and Al{sub 2}(Gd,Y) phases decreases with the increasing depth. Due to the formation of these hardening phases, the hardness of clad layer reached a maximum value of HV440 when the laser scanning speed is 2 mm/s, more than 5 times of the substrate (HV75). Besides, the corrosion properties of the untreated and laser treated samples were all measured in a NaCl (3.5 wt.%) aqueous solution. The corrosion potential was increased from −1.77 V for the untreated alloy to −1.13 V for the laser clad alloy with scanning rate of 2 mm/s, while the corrosion current density was reduced from 2.10 × 10{sup −5} A cm{sup −2} to 1.64 × 10{sup −6} A cm{sup −2}. The results show that laser cladding is an efficient method to improve

Synthesis, Crystal and Electronic Structure of the Quaternary Magnetic EuTAl4Si2 (T = Rh and Ir) Compounds

Energy Technology Data Exchange (ETDEWEB)

Maurya, Arvind [Tata Institute of Fundamental Research; Thamizhavel, Arumugam [Tata Institute of Fundamental Research; Provino, Alessia [University of Genova; Pani, Marcella [University of Genova; Manfrinetti, Pietro [University of Genova; Paudyal, Durga [Ames Laboratory; Dhar, Sudesh Kumar [Tata Institute of Fundamental Research

2014-01-22

Single crystals of the quaternary europium compounds EuRhAl4Si2 and EuIrAl4Si2 were synthesized by using the Al–Si binary eutectic as a flux. The structure of the two quaternary compounds has been refined by single crystal X-ray diffraction. Both compounds are stoichiometric and adopt an ordered derivative of the ternary KCu4S3 structure type (tetragonal tP8, P4/mmm). The two compounds reported here represent the first example of a quaternary and truly stoichiometric 1:1:4:2 phase crystallizing with this structure type. In light of our present results, the structure of the BaMg4Si3 compound given in literature as representing a new prototype is actually isotypic with the KCu4S3 structure. Local spin density approximation including the Hubbard U parameter (LSDA + U) calculations show that Eu ions are in the divalent state, with a significant hybridization between the Eu 5d, Rh (Ir) 4d (5d), Si 3p and Al 3p states. Magnetic susceptibility measured along the [001] direction confirms the divalent nature of the Eu ions in EuRhAl4Si2 and EuIrAl4Si2, which order magnetically near 11 and 15 K, respectively.

Exploring the coordination change of vanadium and structure transformation of metavanadate MgV2O6 under high pressure

Science.gov (United States)

Tang, Ruilian; Li, Yan; Xie, Shengyi; Li, Nana; Chen, Jiuhua; Gao, Chunxiao; Zhu, Pinwen; Wang, Xin

2016-01-01

Raman spectroscopy, synchrotron angle-dispersive X-ray diffraction (ADXRD), first-principles calculations, and electrical resistivity measurements were carried out under high pressure to investigate the structural stability and electrical transport properties of metavanadate MgV2O6. The results have revealed the coordination change of vanadium ions (from 5+1 to 6) at around 4 GPa. In addition, a pressure-induced structure transformation from the C2/m phase to the C2 phase in MgV2O6 was detected above 20 GPa, and both phases coexisted up to the highest pressure. This structural phase transition was induced by the enhanced distortions of MgO6 octahedra and VO6 octahedra under high pressure. Furthermore, the electrical resistivity decreased with pressure but exhibited different slope for these two phases, indicating that the pressure-induced structural phase transitions of MgV2O6 was also accompanied by the obvious changes in its electrical transport behavior. PMID:27924843

The natural aging and precipitation hardening behaviour of Al-Mg-Si-Cu alloys with different Mg/Si ratios and Cu additions

Energy Technology Data Exchange (ETDEWEB)

Ding, Lipeng [College of Materials Science and Engineering, Chongqing University, Chongqing 400044 China (China); Jia, Zhihong, E-mail: zhihongjia@cqu.edu.cn [College of Materials Science and Engineering, Chongqing University, Chongqing 400044 China (China); Zhang, Zhiqing; Sanders, Robert E.; Liu, Qing [College of Materials Science and Engineering, Chongqing University, Chongqing 400044 China (China); Yang, Guang [Electronic Materials Research Laboratory, Key Laboratory of the Ministry of Education and International Centre for Dielectric Research, Xi’an Jiaotong University, Xi’an 710049 (China)

2015-03-11

The natural aging and artificial aging behaviours of Al-Mg-Si-Cu alloys with different Mg/Si ratios and Cu additions were investigated using Vickers microhardness measurements, differential scanning calorimetry (DSC) analysis and transmission electron microscopy (TEM) characterisation. Excess Si and Cu additions enhanced the alloy hardening ability during natural (NA) and artificial aging (AA). Alloys with low Cu and high Si contents exhibited higher precipitation hardening than alloys rich in Mg during artificial aging. In contrast, the alloys with high amounts of Cu were less dependent on the Mg/Si ratio during precipitation hardening due to their similar aging kinetics. The main precipitate phases that contributed to the peak-aging hardness were the L, Q′ and β″ phases. In the over-aging conditions, the alloys rich in Mg and Cu had finer and more numerous precipitates than their Si-rich equivalents due to the preferential precipitation of the L phase. The combination of excess Mg and high Cu resulted in an alloy with a relatively low hardness in T4 temper and a relatively higher hardness after the paint baking cycle. Thus, this alloy has good potential for use in auto body panel applications.

Thermal expansion of lanthanum silicate oxyapatite (La9.33+2x(SiO4)6O2+3x), lanthanum oxyorthosilicate (La2SiO5) and lanthanum sorosilicate (La2Si2O7)

International Nuclear Information System (INIS)

Fukuda, Koichiro; Asaka, Toru; Uchida, Tomohiro

2012-01-01

Four types of powder specimens of La 9.33 (SiO 4 ) 6 O 2 (space group P6 3 /m and Z=1), La 9.33+2x (SiO 4 ) 6 O 2+3x with 0.06≤x≤0.13 (P6 3 /m and Z=1), La 2 SiO 5 (P2 1 /c and Z=4) and La 2 Si 2 O 7 (P2 1 /c and Z=4) were examined by high-temperature X-ray powder diffractometry to determine the changes in unit-cell dimensions up to 1473 K. The anisotropy of thermal expansion was demonstrated for the former two crystals to clarify the thermal behaviors of the highly c-axis-oriented polycrystals. With La 9.33 (SiO 4 ) 6 O 2 , the linear expansion coefficient of the a-axis (α a ) was 4.8×10 −6 K −1 and that of the c-axis (α c ) was 1.8×10 −6 K −1 in the temperature range from 298 to 1473 K. The α a - and α c -values of La 9.33+2x (SiO 4 ) 6 O 2+3x (0.06≤x≤0.13) were, respectively, 5.9×10 −6 K −1 and 2.3×10 −6 K −1 . The coefficients of mean linear thermal expansion were 4.9×10 −6 K −1 for La 2 SiO 5 and 6.0×10 −6 K −1 for La 2 Si 2 O 7 , which describe the thermal expansion behaviors of the randomly grain-oriented polycrystalline materials. - Graphical abstarct: Temperature dependence of the coefficients of thermal expansion (CTE). The linear CTE along the a-axes for La 9.33 (SiO 4 ) 6 O 2 and La 9.33+2x (SiO 4 ) 6 O 2+3x with 0.06≤x≤0.13. The mean linear CTE for La 2 SiO 5 and La 2 Si 2 O 7 . Highlights: ► We examined the thermal expansion of La 9.33+2x (SiO 4 ) 6 O 2+3x (x=0 and 0.06≤x≤0.13), La 2 SiO 5 and La 2 Si 2 O 7 ► Unit-cell dimensions were determined up to 1473 K by high-temperature X-ray diffraction ► Anisotropic expansion was clarified for La 9.33+2x (SiO 4 ) 6 O 2+3x (x=0 and 0.06≤x≤0.13) ► Mean linear thermal expansion was determined for La 2 SiO 5 and La 2 Si 2 O 7.

Influence of secondary ageing temperature on hardening and residual elastic stresses in AlMgSi and AlMgSiCu alloys

International Nuclear Information System (INIS)

Milosavlevich, A.Ya.; Shiyachki-Zheravchich; Rogulin, M.Ya.; Milenkovich, V.M.; Prokich-Tsvetkovich, R.M.

1993-01-01

The investigations were conducted on samples of AlMgSi and AlMgSiCu alloys quenched, aged and cold worked with 20, 40, 60 and 85 % reduction in area. Secondary ageing was carried out at 200 and 250 deg C. Residual stresses wee determined by X-ray diffraction method. It was shown that cold deformation effect on hardness and residual stresses is dependent on alloy composition. The hardening due to secondary ageing is more pronounced for AlMgSi alloy at 200 deg C and for AlMgSiCu alloy at 250 deg C. Positive residual stresses increase with secondary ageing temperature

A Structural Study on the Foaming Behavior of CaO-SiO2-MO (MO = MgO, FeO, or Al2O3) Ternary Slag System

Science.gov (United States)

Park, Youngjoo; Min, Dong Joon

2017-12-01

The foaming index of the CaO-SiO2-MO (MO = MgO, FeO, or Al2O3) ternary slag system with a fixed CaO/SiO2 ratio is measured to understand the effect of the ionic structure. At 1773 K (1500 °C), the foaming index of the slag increases with Al2O3 addition and decreases with MgO or FeO addition at a fixed CaO/SiO2 ratio. It is verified that the previous correlation between the foaming index and the physical properties could also be valid for the CaO-SiO2-(MgO or Al2O3) system. Raman spectroscopy for the CaO/SiO2 = 1.0 slag is applied to explain the foaming behavior from an ionic structural perspective. From the ionic structural viewpoint, the fractional change in each silicate anion unit is identified by de-convoluted Raman spectra. The Raman spectra indicate that the silicate network structure is polymerized with Al2O3 as an aluminosilicate structure; in contrast, de-polymerization occurs by MgO or FeO addition. Furthermore, the relationship between the silicate structure and the thermodynamic stability function is discussed. Since the ionic structure of the molten slag affects various physical/thermodynamic properties, the foaming behavior could be successfully interpreted from the ionic structural viewpoint.

Coating of biodegradable magnesium alloy bone implants using nanostructured diopside (CaMgSi2O6)

Science.gov (United States)

Razavi, Mehdi; Fathi, Mohammadhossein; Savabi, Omid; Beni, Batoul Hashemi; Razavi, Seyed Mohammad; Vashaee, Daryoosh; Tayebi, Lobat

2014-01-01

Magnesium alloys with their biodegradable characteristic can be a very good candidate to be used in orthopedic implants. However, magnesium alloys may corrode and degrade too fast for applications in the bone healing procedure. In order to enhance the corrosion resistance and the in vitro bioactivity of a magnesium alloy, a nanostructured diopside (CaMgSi2O6) film was coated on AZ91 magnesium alloy through combined micro-arc oxidation (MAO) and electrophoretic deposition (EPD) methods. The crystalline structures, morphologies and compositions of the coated and uncoated substrates were characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive spectroscopy. Polarization, electrochemical impedance spectroscopy, and immersion test in simulated body fluid (SBF) were employed to evaluate the corrosion resistance and the in vitro bioactivity of the samples. The results of our investigation showed that the nanostructured diopside coating deposited on the MAO layer increases the corrosion resistance and improves the in vitro bioactivity of the biodegradable magnesium alloy.

Coating of biodegradable magnesium alloy bone implants using nanostructured diopside (CaMgSi2O6)

International Nuclear Information System (INIS)

Razavi, Mehdi; Fathi, Mohammadhossein; Savabi, Omid; Beni, Batoul Hashemi; Razavi, Seyed Mohammad; Vashaee, Daryoosh

2014-01-01

Magnesium alloys with their biodegradable characteristic can be a very good candidate to be used in orthopedic implants. However, magnesium alloys may corrode and degrade too fast for applications in the bone healing procedure. In order to enhance the corrosion resistance and the in vitro bioactivity of a magnesium alloy, a nanostructured diopside (CaMgSi 2 O 6 ) film was coated on AZ91 magnesium alloy through combined micro-arc oxidation (MAO) and electrophoretic deposition (EPD) methods. The crystalline structures, morphologies and compositions of the coated and uncoated substrates were characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive spectroscopy. Polarization, electrochemical impedance spectroscopy, and immersion test in simulated body fluid (SBF) were employed to evaluate the corrosion resistance and the in vitro bioactivity of the samples. The results of our investigation showed that the nanostructured diopside coating deposited on the MAO layer increases the corrosion resistance and improves the in vitro bioactivity of the biodegradable magnesium alloy.

Use of thermodynamic calculation to predict the effect of Si on the ageing behavior of Al-Mg-Si-Cu alloys

International Nuclear Information System (INIS)

Ji, Yanli; Zhong, Hao; Hu, Ping; Guo, Fuan

2011-01-01

Research highlights: → Thermodynamic calculation can predict the ageing behavior of 6xxx alloys. → The hardness level of the alloys depends on the Si content in as-quenched matrix. → The precipitation strengthening effect depends on the Mg 2 Si level of the alloys. -- Abstract: Thermodynamic calculation was employed to predict the influence of Si content on the ageing behavior of Al-Mg-Si-Cu alloys. In addition, experiments were carried out to verify the predictions. The results show that thermodynamic calculation can predict the effect of Si content on the ageing behavior of the studied alloys. This study further proposes that the hardness level of alloys during ageing is directly related to the Si content in the as-quenched supersaturated solution, while the precipitation strengthening effect is directly related to the Mg 2 Si level of the alloys.

Superconductivity, critical current density, and flux pinning in MgB2-x(SiC)x/2 superconductor after SiC nanoparticle doping

Science.gov (United States)

Dou, S. X.; Pan, A. V.; Zhou, S.; Ionescu, M.; Wang, X. L.; Horvat, J.; Liu, H. K.; Munroe, P. R.

2003-08-01

We investigated the effect of SiC nanoparticle doping on the crystal lattice structure, critical temperature Tc, critical current density Jc, and flux pinning in MgB2 superconductor. A series of MgB2-x(SiC)x/2 samples with x=0-1.0 were fabricated using an in situ reaction process. The contraction of the lattice and depression of Tc with increasing SiC doping level remained rather small most likely due to the counterbalancing effect of Si and C co-doping. The high level Si and C co-doping allowed the creation of intragrain defects and highly dispersed nanoinclusions within the grains which can act as effective pinning centers for vortices, improving Jc behavior as a function of the applied magnetic field. The enhanced pinning is mainly attributable to the substitution-induced defects and local structure fluctuations within grains. A pinning mechanism is proposed to account for different contributions of different defects in MgB2-x(SiC)x/2 superconductors.

Effects of multiple-step thermal ageing treatment on the hardness characteristics of A356.0-type Al-Si-Mg alloy

International Nuclear Information System (INIS)

Abdulwahab, M.; Madugu, I.A.; Yaro, S.A.; Hassan, S.B.; Popoola, A.P.I.

2011-01-01

The work outlined the hardness characteristics of thermally aged high chromium sodium modified A356.0-type Al-Si-Mg alloy using the multiple-step thermal ageing treatment (MSTAT) approach. This novel approach consists of double thermal ageing (DTAT) and single thermal ageing treatment (STAT). The investigation also includes the development of a new temperature-compensated-time parameter, P, for the studied alloy at different ageing temperatures and time considered. The results obtained in the DTAT developed for the A356.0-type Al-Si-Mg alloy showed an improvement in the precipitation hardening (PH) ability and hardness characteristics as compared to the convectional STAT temper. The observations were evidenced from the X-ray diffractometry (XRD) pattern indicating the possible strengthening phases. Equally, the hardness behavior was correlated with the microstructures using optical microscope (OPM) and scanning electron microscope equipped with energy dispersive spectroscope (SEM-EDS).

Synthesis and luminescent properties of Sr{sub 2}Gd{sub 6.8}Eu{sub 1.2}Si{sub 6(1−x)}P{sub 6x}O{sub 26} oxyapatites

Energy Technology Data Exchange (ETDEWEB)

Ishchenko, A.V., E-mail: a-v-i@mail.ru [Ural Federal University, 620002 Ekaterinburg (Russian Federation); Zuev, M.G. [Ural Federal University, 620002 Ekaterinburg (Russian Federation); Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 620990 Ekaterinburg (Russian Federation); Vasin, A.A. [Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 620990 Ekaterinburg (Russian Federation); Yagodin, V.V.; Viktorov, L.V.; Shulgin, B.V. [Ural Federal University, 620002 Ekaterinburg (Russian Federation)

2016-01-15

The solid solutions Sr{sub 2}Gd{sub 6.8}Eu{sub 1.2}Si{sub 6(1−x)}P{sub 6x}O{sub 26−δ} (where x=0–0.15 and δ is oxygen nonstoichiometry) were synthesized. The structural properties of the crystal lattice of the solid solutions and the peculiarities of Eu{sup 3+} and P{sup 5+} dopants substitution for matrix ions have been considered. The photo-, X-ray and pulsed cathode luminescence properties have been studied. It has been found that substitution of (SiO{sub 4}){sup 4−} by (PO{sub 4}){sup 3−} tetrahedron in Eu{sup 3+}-doped oxyapatites does not bring significant changes to bands structure Eu{sup 3+} in luminescence spectra under different excitation (UV, X-ray, pulse cathode beam). However, the increase of P{sup 5+} concentration in Sr{sub 2}Gd{sub 6.8}Eu{sub 1.2}Si{sub 6(1−x)}P{sub 6x}O{sub 26–δ} compounds leads to a decrease of integral intensity of Eu{sup 3+} luminescence bands due to local environment symmetry modifications and covalency degree changes. Two nonequivalent optical Eu{sup 3+} centers have been found. These compounds are of interest for efficient X-ray phosphors, display devices and LED engineering material creation. - Highlights: • The luminescence properties were studied upon UV, X-ray and pulse cathode beam. • P{sup 5+} doping of Sr{sub 2}Gd{sub 6.8}Eu{sub 1.2}Si{sub 6}O{sub 26} leads to luminescence intensity reduction. • At least two types of optical centers formed by Eu{sup 3+} ions were found. • The structural features of Sr{sub 2}Gd{sub 6.8}Eu{sub 1.2}Si{sub 6(1−x)}P{sub 6x}O{sub 26} were reported. • Partial replacement of Si by P does not change the Sr{sub 2}Gd{sub 6.8}Eu{sub 1.2}Si{sub 6}O{sub 26} structure.

A spot laser modulated resistance switching effect observed on n-type Mn-doped ZnO/SiO2/Si structure.

Science.gov (United States)

Lu, Jing; Tu, Xinglong; Yin, Guilin; Wang, Hui; He, Dannong

2017-11-09

In this work, a spot laser modulated resistance switching (RS) effect is firstly observed on n-type Mn-doped ZnO/SiO 2 /Si structure by growing n-type Mn-doped ZnO film on Si wafer covered with a 1.2 nm native SiO 2 , which has a resistivity in the range of 50-80 Ω∙cm. The I-V curve obtained in dark condition evidences the structure a rectifying junction, which is further confirmed by placing external bias. Compared to the resistance state modulated by electric field only in dark (without illumination), the switching voltage driving the resistance state of the structure from one state to the other, shows clear shift under a spot laser illumination. Remarkably, the switching voltage shift shows a dual dependence on the illumination position and power of the spot laser. We ascribe this dual dependence to the electric filed produced by the redistribution of photo-generated carriers, which enhance the internal barrier of the hetero-junction. A complete theoretical analysis based on junction current and diffusion equation is presented. The dependence of the switching voltage on spot laser illumination makes the n-type Mn-doped ZnO/SiO 2 /Si structure sensitive to light, which thus allows for the integration of an extra functionality in the ZnO-based photoelectric device.

Effect of the La/Mg ratio on the structure and electrochemical properties of La xMg 3- xNi 9 ( x=1.6-2.2) hydrogen storage electrode alloys for nickel-metal hydride batteries

Science.gov (United States)

Liao, B.; Lei, Y. Q.; Chen, L. X.; Lu, G. L.; Pan, H. G.; Wang, Q. D.

Effect of La/Mg ratio on the structure and electrochemical properties of La xMg 3- xNi 9 ( x=1.6-2.2) ternary alloys was investigated. All alloys are consisted of a main phase with hexagonal PuNi 3-type structure and a few impurity phases (mainly LaNi 5 and MgNi 2). The increase of La/Mg ratio in the alloys leads to an increase in both the cell volume and the hydride stability. The discharge capacity of the alloys at 100 mA/g increases with the increase of La/Mg ratio and passes though a maximum of 397.5 mAh/g at x=2.0. As the La/Mg ratio increases, the high-rate dischargeability of the alloy electrodes at 1200 mA/g HRD 1200 decreases from 66.7% ( x=1.6) to 26.5% ( x=2.2). The slower decrease of HRD 1200 (from 66.7 to 52.7%) of the alloys with x=1.6-2.0 is mainly attributed to the decrease of electrocatalytic activity of the alloys for charge-transfer reaction, the more rapid decrease of HRD 1200 of the alloys with x>2.0 is mainly attributed to the lowering of the hydrogen diffusion rate in the bulk of alloy. The cycling capacity degradation of the alloys is rather fast for practical application due to the corrosion of La and Mg and the large VH in the hydride phase.

Photoluminescence and thermoluminescence properties of Eu2+ doped and Eu2+ ,Dy3+ co-doped Ba2 MgSi2 O7 phosphors.

Science.gov (United States)

Sao, Sanjay Kumar; Brahme, Nameeta; Bisen, D P; Tiwari, Geetanjali

2016-11-01

In this work, we report the preparation, characterization, comparison and luminescence mechanisms of Eu 2 + -doped and Eu 2 + ,Dy 3 + -co-doped Ba 2 MgSi 2 O 7 (BMSO) phosphors. Prepared phosphors were synthesized via a high temperature solid-state reaction method. All prepared phosphors appeared white. The phase structure, particle size, and elemental analysis were analyzed using X-ray diffraction (XRD), transmission electron microscopy (TEM) and energy-dispersive X-ray (EDX) analysis. The luminescence properties of the phosphors were investigated by thermoluminescence (TL) and photoluminescence (PL). The PL excitation and emission spectra of Ba 2 MgSi 2 O 7 :Eu 2 + showed the peak to be around 381 nm and 490 nm respectively. The PL excitation spectrum of Ba 2 MgSi 2 O 7 :Eu 2 + Dy 3 + showed the peak to be around 341 nm and 388 nm, and the emission spectrum had a broad band around 488 nm. These emissions originated from the 4f 6 5d 1 to 4f 7 transition of Eu 2 + . TL analysis revealed that the maximum TL intensity was found at 5 mol% of Eu 2 + doping in Ba 2 MgSi 2 O 7 phosphors after 15 min of ultraviolet (UV) light exposure. TL intensity was increased when Dy 3 + ions were co-doped in Ba 2 MgSi 2 O 7 :Eu 2 + and maximum TL intensity was observed for 2 mol% of Dy 3 + . TL emission spectra of Ba 1.95 MgSi 2 O 7 :0.05Eu 2 + and Ba 1.93 MgSi 2 O 7 :0.05Eu 2 + ,0.02Dy 3 + phosphors were found at 500 nm. TL intensity increased with UV exposure time up to 15 min, then decreased for the higher UV radiation dose for both Eu doping and Eu,Dy co-doping. The trap depths were calculated to be 0.54 eV for Ba 1.95 MgSi 2 O 7 :0.05Eu 2 + and 0.54 eV and 0.75 eV for Ba 1.93 MgSi 2 O 7 :0.05Eu 2 + ,0.02Dy 3 + phosphors. It was observed that co-doping with small amounts of Dy 3 + enhanced the thermoluminescence properties of Ba 2 MgSi 2 O 7 phosphor. Copyright © 2016 John Wiley & Sons, Ltd. [Correction added on 5 April 2016, after first online publication: The

Experimental investigation of the reactions 25Mg(α,n)28Si, 26Mg(α,n)29Si, 18O(α,n)21Ne and their impact on stellar nucleosynthesis

International Nuclear Information System (INIS)

Falahat, Sascha

2010-01-01

In the present dissertation, the nuclear reactions 25 Mg(α,n) 28 Si, 26 Mg(α,n) 29 Si, 18 O(α,n) 21 Ne are investigated in the astrophysically interesting energy region from E α =1000 keV to E α =2450 keV. The experiments were performed at the Nuclear Structure Laboratory of the University of Notre Dame (USA) with the Van-de-Graaff accelerator KN. Solid state targets with evaporated magnesium or anodized oxygen were bombarded with α-particles and the released neutrons detected. For the detection of the released neutrons, computational simulations were used to construct a neutron detector based on 3 He counters. Because of the strong occurrence of background reactions, different methods of data analysis were employed. Finally, the impact of the reactions 25 Mg(α,n) 28 Si, 26 Mg(α,n) 29 Si, 18 O(α,n) 21 Ne on stellar nucleosynthesis is investigated by means of network calculations. (orig.)

Raman-spectroscopic (Fe/Fe+Mg, CO2) and Structural studies of Mg-Fe cordierites

International Nuclear Information System (INIS)

Haefeker, U.

2013-01-01

In the course of this dissertation synthetic hexagonal and orthorhombic Mg-Fe-cordierites have been investigated with Raman-spectroscopy and XRD methods. Cordierite´s Mg- and Fe-end-members as well as their Mg-Fe solid solutions with the chemical formula (Mg, Fe 2+ ) 2 Al 4 Si 5 O 18 *nH 2 O have been synthesized. Raman-data of synthetic hydrous Mg- and Fe-cordierites have been obtained in the wavenumber-region 100-1250 cm-1 and the experimental data were then compared with the results of quantum-mechanical calculations. 86 theoretical bands could be related to specific vibrational modes of the tetrahedral and octahedral sites of the cordierite structure. Maximum and mean deviation between experimentally-derived bands and calculated modes were ±7 cm -1 for Mg-cordierite and ±19 cm -1 for Fe-cordierite. Spectra comparison revealed a trend of peak downshifting as a consequence of Fe-incorporation. The calculations now allow more accurate interpretation of the Raman spectra with respect to structural changes of cordierite, resulting from Al-Si ordering and Mg-Fe exchange. Atomic motions in cordierite have been compared with those of the structurally similar mineral beryl. Investigations of 16 H 2 O-bearing synthetic well-ordered Mg-Fe-cordierites (XFe =0-1) with micro-Raman spectroscopy revealed a linear correlation between the Fe/Mg ratio and the position of certain Raman peaks. The peaks (wave-number Mg-/Fe-cordierite) at 122/111, 262/257, 430/418, 579/571, 974/967, and 1012/1007 cm -1 were selected for a detailed deconvolution analysis . The shifts of these peaks were then plotted vs. XFe and regression of the data lead to the formulation of a set of linear equations. In addition, the effect of different H 2 O contents and the degree of Al-Si ordering on the Fe/Mg determination were also investigated. Testing the calibration against data from six well-characterized natural cordierite samples yielded excellent agreement. Existing calibration diagrams for CO 2

Variation of equation of state parameters in the Mg2(Si 1-xSnx) alloys

KAUST Repository

Pulikkotil, Jiji Thomas Joseph

2010-08-03

Thermoelectric performance peaks up for intermediate Mg2(Si 1-x:Snx) alloys, but not for isomorphic and isoelectronic Mg2(Si1-xGex) alloys. A comparative study of the equation of state parameters is performed using density functional theory, Green\\'s function technique, and the coherent potential approximation. Anomalous variation of the bulk modulus is found in Mg2(Si1-xSn x) but not in the Mg2(Si1-xGex) analogs. Assuming a Debye model, linear variations of the unit cell volume and pressure derivative of the bulk modulus suggest that lattice effects are important for the thermoelectric response. From the electronic structure perspective, Mg2(Si1-xSnx) is distinguished by a strong renormalization of the anion-anion hybridization. © 2010 IOP Publishing Ltd.

Refinement of Mg2Si reinforcement in a commercial Al–20%Mg2Si in-situ composite with bismuth, antimony and strontium

International Nuclear Information System (INIS)

Nordin, Nur Azmah; Farahany, Saeed; Ourdjini, Ali; Abu Bakar, Tuty Asma; Hamzah, Esah

2013-01-01

Refinement by addition elements of Al–Mg 2 Si alloys is known to result in a change of primary Mg 2 Si morphology. In this paper, the effects of Bi, Sb and Sr on the characteristic parameters of Al–20%Mg 2 Si in-situ composite have been investigated by computer aided cooling curve thermal analysis and microstructural inspection. Size, density and aspect ratio measurements showed that additions of 0.4 wt.% Bi, 0.8 wt.% Sb and 0.01 wt.% Sr refined the Mg 2 Si reinforcement. Exceeding these concentrations, however, resulted in coarsening of Mg 2 Si particles with no change in the morphology. The results also showed that addition elements caused a decrease in the nucleation and growth temperatures of Mg 2 Si particles. The refining effect of Bi, Sb and Sr is likely to be related to the effect of oxide bifilms suspended in the composite melt as favored nucleation substrates for Mg 2 Si particles. - Highlight: • 0.4 wt.%, 0.8 wt.% and 0.01 wt.% is the optimum content for Bi, Sb and Sr addition. • Exceeding optimum concentration resulted in the coarsening of reinforcements. • Nucleation and growth temperatures decrease with addition of Bi, Sb and Sr. • The refining effect of Bi, Sb and Sr is likely to be related to the oxide bifilms

Densification of MgSiO3 glass with pressure and temperature

DEFF Research Database (Denmark)

Yamada, A; Gaudio, Sarah; Lesher, Charles

2010-01-01

The density and structure of MgSiO3 glass (v-En) recovered from a series of annealing experiments up to 1000°C at 2.0, 5.5 and 8.5 GPa have been investigated using Archimedes' method and Raman spectroscopy, respectively. The densities of recovered glasses are found to be a complex function...... of pressure and temperature. At room temperature, compression up to 8.5 GPa, followed by decompression, yields a glass with a density within 0.6 % of the 1-atm value. Likewise, the 1-atm density is fully recovered in glass heated up to ~500°C at 2.0 GPa at higher pressures. A sharp increase in recovered...... density is observed between 500°C and 800°C at 2.0 GPa, 200°C and 500°C at 5.5 GPa and from room-T and 300°C at 8.5 GPa. At higher annealing temperatures the changes in density are more modest. This break in slope occurs for a glass density of 2.89 g/cm3 at 2.0 GPa and 2.95 g/cm3 at 5.5 and 8.5 GPa. Above...

Thermoelectric properties of Al doped Mg{sub 2}Si material

Energy Technology Data Exchange (ETDEWEB)

Kaur, Kulwinder, E-mail: kulwindercmp@gmail.com; Kumar, Ranjan [Department of Physics, Center of Advanced Study in Physics, Panjab University, Chandigarh-160 014 (India); Rani, Anita [Department of Physics, Center of Advanced Study in Physics, Panjab University, Chandigarh-160 014 (India); Guru Nanak College for Girls, Sri Muktsar Sahib, Punjab (India)

2015-08-28

In the present paper we have calculated thermoelectric properties of Al doped Mg{sub 2}Si material (Mg{sub 2−x}Al{sub x}Si, x=0.06) using Pseudo potential plane wave method based on DFT and Semi classical Boltzmann theory. The calculations showed n-type conduction, indicating that the electrical conduction are due to electron. The electrical conductivity increasing with increasing temperature and the negative value of Seebeck Coefficient also show that the conduction is due to electron. The thermal conductivity was increased slightly by Al doping with increasing temperature due to the much larger contribution of lattice thermal conductivity over electronic thermal conductivity.

SHS synthesis of Si-SiC composite powders using Mg and reactants from industrial waste

Science.gov (United States)

Chanadee, Tawat

2017-11-01

Si-SiC composite powders were synthesized by self-propagating high-temperature synthesis (SHS) using reactants of fly ash-based silica, sawdust-based activated carbon, and magnesium. Fly ash-based silica and sawdust-based activated carbon were prepared from coal mining fly ash and Para rubber-wood sawdust, respectively. The work investigated the effects of the synthesis atmosphere (air and Ar) on the phase and morphology of the SHS products. The SHS product was leached by a two-step acid leaching processes, to obtain the Si-SiC composite powder. The SHS product and SHS product after leaching were characterized by X-ray diffractometry, scanning electron microscopy and energy dispersive X-ray spectrometry. The results indicated that the SHS product synthesized in air consisted of Si, SiC, MgO, and intermediate phases (SiO2, Mg, Mg2SiO4, Mg2Si), whereas the SHS product synthesized in Ar consisted of Si, SiC, MgO and a little Mg2SiO4. The SiC content in the leached-SHS product was higher when Ar was used as the synthesis atmosphere. As well as affecting the purity, the synthesis atmospheres also affected the average crystalline sizes of the products. The crystalline size of the product synthesized in Ar was smaller than that of the product synthesized in air. All of the results showed that fly ash and sawdust could be effective waste-material reactants for the synthesis of Si-SiC composite powders.

Photoluminescence of Eu2+-doped CaMgSi2xO6+2x (1.00≤x≤1.20) phosphors in UV-VUV region

International Nuclear Information System (INIS)

Zhang Zhiya; Wang Yuhua

2008-01-01

Alkaline-earth silicate phosphors CaMgSi 2x O 6+2x :Eu 2+ (1.00≤x≤1.20) were prepared by traditional solid-state reaction. The phosphors showed an intense blue emission centered around 453 nm, with both 254 and 147 nm excitations. The host absorption below 200 nm in the excitation spectra consisted of two bands around 160 and 190 nm. The band around 160 nm was ascertained to be associated with the SiO 4 -tetrahedra and MgO 6 -polyhedra, and that around 190 nm was due to the CaO 8 -polyhedra or some impurities. The incorporation of excess Si of less than 15% would not lead to formation of impurities and the results indicated that an appropriate Si excess could improve the Photoluminescence (PL) intensity in both ultraviolet (UV) and vacuum ultraviolet (VUV) regions

Fundamental and excited states of F-type centres in MgSiO{sub 3} perovskite

Energy Technology Data Exchange (ETDEWEB)

Stashans, Arvids, E-mail: arvids@utpl.edu.e [Grupo de Fisicoquimica de Materiales, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador); Piedra, Lorena; Briceno, Tamara [Grupo de Fisicoquimica de Materiales, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador); Escuela de Geologia y Minas, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador)

2010-10-15

Quantum-chemical modelling based on the Hartree-Fock methodology and a periodic supercell model is done to study oxygen vacancy and F-type centres in the perovskite-type MgSiO{sub 3} crystal. The equilibrium geometry of defects is obtained, confirming the importance of electrostatic interaction in determination of atomic shifts. The calculated relaxation energies due to the defect formation are between 8 and 10 eV, thus evidencing favourability in the occurrence of such defects. The wave functions describing both F{sup +} and F centres are rather diffuse and the point defects are not well localised within the oxygen vacancy region. The {Delta} SCF computed absorption energies due to the F-type centres fall well within the ultraviolet spectrum, between 136 and 254 nm for the F{sup +} centre and between 163 and 248 nm for the F centre.

The effects of RE and Si on the microstructure and corrosion resistance of Zn–6Al–3Mg hot dip coating

International Nuclear Information System (INIS)

Li, Shiwei; Gao, Bo; Yin, Shaohua; Tu, Ganfeng; Zhu, Guanglin; Sun, Shuchen; Zhu, Xiaoping

2015-01-01

Highlights: • ZAM coating has been prepared by using an experimental hot-dip galvanizing simulator. • The corrosion resistance of ZAM coating can be improved by additions of Si and RE. • Zn–6Al–3Mg–Si–RE coating forms a dense and stabilized corrosion product layer. • Zn–6Al–3Mg–Si–RE coating shows uniform corrosion. - Abstract: The effects of Si and RE on the microstructure and corrosion resistance of Zn–6Al–3Mg coating (ZAM) have been investigated. Surface morphology observations of the coating and corrosion products reveal that the additions of Si and rare earth metals (RES) improve the microstructural homogeneity of ZAMSR coating and stability of corrosion products formed on ZAMSR coating. Moreover, only uniform corrosion occurs in ZAMSR coating during the corrosion test, while intergranular corrosion and pitting occur in ZAM. As a result, the corrosion resistance of ZAM coating is improved by the additions of Si and RES.

The effects of RE and Si on the microstructure and corrosion resistance of Zn–6Al–3Mg hot dip coating

Energy Technology Data Exchange (ETDEWEB)

Li, Shiwei [State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization, Kunming University of Science and Technology, Kunming 650093 (China); School of Materials and Metallurgy, Northeastern University, Shenyang 110819 (China); Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093 (China); Gao, Bo, E-mail: surfgao@aliyun.com [School of Materials and Metallurgy, Northeastern University, Shenyang 110819 (China); Yin, Shaohua [State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization, Kunming University of Science and Technology, Kunming 650093 (China); School of Materials and Metallurgy, Northeastern University, Shenyang 110819 (China); Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093 (China); Tu, Ganfeng; Zhu, Guanglin; Sun, Shuchen; Zhu, Xiaoping [School of Materials and Metallurgy, Northeastern University, Shenyang 110819 (China)

2015-12-01

Highlights: • ZAM coating has been prepared by using an experimental hot-dip galvanizing simulator. • The corrosion resistance of ZAM coating can be improved by additions of Si and RE. • Zn–6Al–3Mg–Si–RE coating forms a dense and stabilized corrosion product layer. • Zn–6Al–3Mg–Si–RE coating shows uniform corrosion. - Abstract: The effects of Si and RE on the microstructure and corrosion resistance of Zn–6Al–3Mg coating (ZAM) have been investigated. Surface morphology observations of the coating and corrosion products reveal that the additions of Si and rare earth metals (RES) improve the microstructural homogeneity of ZAMSR coating and stability of corrosion products formed on ZAMSR coating. Moreover, only uniform corrosion occurs in ZAMSR coating during the corrosion test, while intergranular corrosion and pitting occur in ZAM. As a result, the corrosion resistance of ZAM coating is improved by the additions of Si and RES.

Nano-structure formation of Fe-Pt perpendicular magnetic recording media co-deposited with MgO, Al2O3 and SiO2 additives

International Nuclear Information System (INIS)

Safran, G.; Suzuki, T.; Ouchi, K.; Barna, P.B.; Radnoczi, G.

2006-01-01

Perpendicular magnetic recording media samples were prepared by sputter deposition on sapphire with a layer sequence of MgO seed-layer/Cr under-layer/FeSi soft magnetic under-layer/MgO intermediate layer/FePt-oxide recording layer. The effects of MgO, Al 2 O 3 and SiO 2 additives on the morphology and orientation of the FePt layer were investigated by transmission electron microscopy. The samples exhibited (001) orientation of the L1 FePt phase with the mutual orientations of sapphire substrate//MgO(100)[001]//Cr(100)[11-bar0]//FeSi(100)[11-bar0]//MgO(100) [001]//FePt(001)[100]. The morphology of the FePt films varied due to the co-deposited oxides: The FePt layers were continuous and segmented by stacking faults aligned at 54 o to the surface. Films with SiO 2 addition, beside the oriented columnar FePt grains, exhibited a fraction of misoriented crystallites due to random repeated nucleation. Al 2 O 3 addition resulted in a layered structure, i.e. an initial continuous epitaxial FePt layer covered by a secondary layer of FePt-Al 2 O 3 composite. Both components (FePt and MgO) of the MgO-added samples were grown epitaxially on the MgO intermediate layer, so that a nano-composite of intercalated (001) FePt and (001) MgO was formed. The revealed microstructures and formation mechanisms may facilitate the improvement of the structural and magnetic properties of the FePt-oxide composite perpendicular magnetic recording media

Effect Of SiC Particles On Sinterability Of Al-Zn-Mg-Cu P/M Alloy

Directory of Open Access Journals (Sweden)

Rudianto H.

2015-06-01

Full Text Available Premix Al-5.5Zn-2.5Mg-0.5Cu alloy powder was analyzed as matrix in this research. Gas atomized powder Al-9Si with 20% volume fraction of SiC particles was used as reinforcement and added into the alloy with varied concentration. Mix powders were compacted by dual action press with compaction pressure of 700 MPa. High volume fraction of SiC particles gave lower green density due to resistance of SiC particles to plastic deformation during compaction process and resulted voids between particles and this might reduce sinterability of this mix powder. Sintering was carried out under ultra high purity nitrogen gas from 565°-580°C for 1 hour. High content of premix Al-5.5Zn-2.5Mg-0.5Cu alloy powder gave better sintering density and reached up to 98% relative. Void between particles, oxide layer on aluminum powder and lower wettability between matrix and reinforcement particles lead to uncompleted liquid phase sintering, and resulted on lower sintering density and mechanical properties on powder with high content of SiC particles. Mix powder with wt90% of Alumix 431D and wt10% of Al-9Si-vf20SiC powder gave higher tensile strength compare to another mix powder for 270 MPa. From chemical compositions, sintering precipitates might form after sintering such as MgZn2, CuAl2 and Mg2Si. X-ray diffraction, DSC-TGA, and SEM were used to characterize these materials.

Photoluminescence properties of X5SiO4Cl6:Tb (X = Sr, Ba) green ...

Indian Academy of Sciences (India)

attracted more attention due to their potential applications ... materials were thoroughly mixed and ground in an agate mortar. ... Figure 2. Excitation spectra of Ba5SiO4Cl6:Tb3+ phosphor. spectrum of Tb3+ singly doped phosphor Ba5SiO4Cl6,.

The influence of laser alloying on the structure and mechanical properties of AlMg5Si2Mn surface layers

Science.gov (United States)

Pakieła, W.; Tański, T.; Brytan, Z.; Labisz, K.

2016-04-01

The goal of this paper was focused on investigation of microstructure and properties of surface layer produced during laser surface treatment of aluminium alloy by high-power fibre laser. The performed laser treatment involves remelting and feeding of Inconel 625 powder into the aluminium surface. As a base metal was used aluminium alloy AlMg5Si2Mn. The Inconel powder was injected into the melt pool and delivered by a vacuum feeder at a constant rate of 4.5 g/min. The size of Inconel alloying powder was in the range 60-130 µm. In order to remelt the aluminium alloy surface, the fibre laser of 3 kW laser beam power has been used. The linear laser scan rate of the beam was set 0.5 m/min. Based on performed investigations, it was possible to obtain the layer consisting of heat-affected zone, transition zone and remelted zone, without cracks and defects having much higher hardness value compared to the non-alloyed material.

Polarized micro-Raman scattering characterization of Mg2Si nanolayers in (001) Si matrix

International Nuclear Information System (INIS)

Zlateva, G; Atanassov, A; Baleva, M; Nikolova, L; Abrashev, M V

2007-01-01

An orientational growth of the Mg 2 Si lattice relative to the Si lattice is considered assuming minimum mismatch of their lattice parameters. The Raman scattering cross-sections are calculated for the four possible orientations of the Mg 2 Si lattice positioned in this way. The integral intensity ratios for the F 2g mode of Mg 2 Si in different polarization configurations, obtained from the experimental spectra, are compared with the calculated ratios. It is found that the Mg 2 Si nanolayer's morphology is sensitive to the implantation energy, which determines both the peak Mg concentration in the initial implantation profile and its position in the sample depth. At a peak concentration of the order of the stoichiometric concentration, the layers are highly oriented. When the peak concentration is higher and the peak is placed closer to the surface, the layers are polycrystalline

Effect of Bi modification treatment on microstructure, tensile properties, and fracture behavior of cast Al-Mg2Si metal matrix composite

Directory of Open Access Journals (Sweden)

Wu Xiaofeng

2013-01-01

Full Text Available Bi has a good modification effect on the hypoeutectic Al-Si alloy, and the morphology of eutectic Si changes from coarse acicular to fine fibrous. Based on the similarity between Mg2Si and Si phases in crystalline structure and crystallization process, the present study investigated the effects of different concentrations of Bi on the microstructure, tensile properties, and fracture behavior of cast Al-15wt.%Mg2Si in-situ metal matrix composite. The results show that the addition of the proper amount of Bi has a significant modification effect on both primary and eutectic Mg2Si in the Al-15wt.%Mg2Si composite. With an increase in Bi content from 0 to 1wt.%, the morphology of the primary Mg2Si is changed from irregular or dendritic to polyhedral shape; and its average particle size is significantly decreased from 70 to 6 μm. Moreover, the morphology of the eutectic Mg2Si phase is altered from flake-like to very short fibrous or dot-like. When the Bi addition exceeds 4.0wt.%, the primary Mg2Si becomes coarse again. However, the eutectic Mg2Si still exhibits the modified morphology. Tensile tests reveal that the Bi addition can improve the tensile strength and ductility of the material. Compared with those of the unmodified composite, the ultimate tensile strength and percentage elongation after fracture with 1.0wt.% Bi increase 51.2% and 100%, respectively. At the same time, the Bi addition changes the fracture behavior from brittle to ductile.

FINEMET type alloy without Si: Structural and magnetic properties

International Nuclear Information System (INIS)

Muraca, D.; Cremaschi, V.; Moya, J.; Sirkin, H.

2008-01-01

Magnetic and structural properties of a Finemet type alloy (Fe 73.5 Ge 15.5 Nb 3 B 7 Cu 1 ) without Si and high Ge content were studied. Amorphous material was obtained by the melt spinning technique and was heat treated at different temperatures for 1 h under high vacuum to induce the nanocrystallization of the sample. The softest magnetic properties were obtained between 673 and 873 K. The role of Ge on the ferromagnetic paramagnetic transition of the as-quenched alloys and its influence on the crystallization process were studied using a calorimetric technique. Moessbauer spectroscopy was employed in the nanocrystallized alloy annealed at 823 K to obtain the composition of the nanocrystals and the amorphous phase fraction. Using this data and magnetic measurements of the as-quenched alloy, the magnetic contribution of nanocrystals to the alloy annealed at 823 K was estimated via a linear model

Formation of Si-Al-Mg-Ca-rich zoned magnetite in an end-Permian phreatomagmatic pipe in the Tunguska Basin, East Siberia

Science.gov (United States)

Neumann, Else-Ragnhild; Svensen, Henrik H.; Polozov, Alexander G.; Hammer, Øyvind

2017-12-01

Magma-sediment interactions in the evaporite-rich Tunguska Basin resulted in the formation of numerous phreatomagmatic pipes during emplacement of the Siberian Traps. The pipes contain magnetite-apatite deposits with copper and celestine mineralization. We have performed a detailed petrographic and geochemical study of magnetite from long cores drilled through three pipe breccia structures near Bratsk, East Siberia. The magnetite samples are zoned and rich in Si (≤5.3 wt% SiO2), Ca, Al, and Mg. They exhibit four textural types: (1) massive ore in veins, (2) coating on breccia clasts, (3) replacement ore, and (4) reworked ore at the crater base. The textural types have different chemical characteristics. "Breccia coating" magnetite has relatively low Mg content relative to Si, as compared to the other groups, and appears to have formed at lower oxygen fugacity. Time series analyses of MgO variations in microprobe transects across Si-bearing magnetite in massive ore indicate that oscillatory zoning in the massive ore was controlled by an internal self-organized process. We suggest that hydrothermal Fe-rich brines were supplied from basalt-sediment interaction zones in the evaporite-rich sedimentary basin, leading to magnetite ore deposition in the pipes. Hydrothermal fluid composition appears to be controlled by proximity to dolerite fragments, temperature, and oxygen fugacity. Magnetite from the pipes has attributes of iron oxide-apatite deposits (e.g., textures, oscillatory zoning, association with apatite, and high Si content) but has higher Mg and Ca content and different mineral assemblages. These features are similar to magnetite found in skarn deposits. We conclude that the Siberian Traps-related pipe magnetite deposit gives insight into the metamorphic and hydrothermal effects following magma emplacement in a sedimentary basin.

In-situ synchrotron x-ray study of MgB2 formation when doped by SiC

Science.gov (United States)

Abrahamsen, A. B.; Grivel, J.-C.; Andersen, N. H.; Herrmann, M.; Häßler, W.; Birajdar, B.; Eibl, O.; Saksl, K.

2008-02-01

We have studied the evolution of the reaction xMg + 2B + ySiC → zMg1-p(B1-qCq)2 + yMg2Si in samples of 1, 2, 5 and 10 wt% SiC doping. We found a coincident formation of MgB2 and Mg2Si, whereas the crystalline part of the SiC nano particles is not reacting at all. Evidence for incorporation of carbon into the MgB2 phase was established from the decrease of the a-axis lattice parameter upon increasing SiC doping. An estimate of the MgB2 lower limit grain size was found to decrease from L100 = 795 Å and L002 = 337 Å at 1 wt% SiC to L100 = 227 Å and L002= 60 Å at 10 wt% SiC. Thus superconductivity might be suppressed at 10 wt% SiC doping due to the grain size approaching the coherence length.

Magnetic order in Pu2M3Si5 (M = Co, Ni)

International Nuclear Information System (INIS)

Bauer, E D; Tobash, P H; Mitchell, J N; Kennison, J A; Ronning, F; Scott, B L; Thompson, J D

2011-01-01

The physical properties including magnetic susceptibility, specific heat, and electrical resistivity of two new plutonium compounds Pu 2 M 3 Si 5 (M = Co, Ni) are reported. Pu 2 Ni 3 Si 5 crystallizes in the orthorhombic U 2 Co 3 Si 5 structure type, which can be considered a variant of the BaAl 4 tetragonal structure, while Pu 2 Co 3 Si 5 adopts the closely related monoclinic Lu 2 Co 3 Si 5 type. Magnetic order is observed in both compounds, with Pu 2 Ni 3 Si 5 ordering ferromagnetically at T C = 65 K then undergoing a transition into an antiferromagnetic state below T N = 35 K. Two successive magnetic transitions are also observed at T mag1 = 38 K and T mag2 = 5 K in Pu 2 Co 3 Si 5 . Specific heat measurements reveal that these two materials have a moderately enhanced Sommerfeld coefficient γ ∼ 100 mJ/mol Pu K 2 in the magnetic state with comparable RKKY and Kondo energy scales.

Effects of Alloying Elements on Room and High Temperature Tensile Properties of Al-Si Cu-Mg Base Alloys =

Science.gov (United States)

Alyaldin, Loay

result of the presence of both Mg and Cu. These alloy types display excellent strength values at both low and high temperatures. Additions of Zr, Ni, Mn and Sc would be expected to maintain the performance of these alloys at still higher temperatures. Six alloys were prepared using 0.2 wt% Ti grain-refined 354 alloy, comprising alloy R (354 + 0.25wt% Zr) considered as the base or reference alloy, and five others, viz., alloys S, T, U, V, and Z containing various amounts of Ni, Mn, Sc and Zr, added individually or in combination. For comparison purposes, another alloy L was prepared from 398 (Al-16%Si) alloy, reported to give excellent high temperature properties, to which the same levels of Zr and Sc additions were made, as in alloy Z. Tensile test bars were prepared from the different 354 alloys using an ASTM B-108 permanent mold. The test bars were solution heat treated using a one-step or a multi-step solution heat treatment, followed by quenching in warm water, and then artificial aging employing different aging treatments (T5, T6, T62 and T7). The one-step (or SHT 1) solution treatment consisted of 5 h 495 °C) and the multi-step (or SHT 2) solution treatment comprised 5 h 495°C + 2 h 515°C + 2 h 530°C. Thermal analysis of the various 354 alloy melts was carried out to determine the sequence of reactions and phases formed during solidification under close-to-equilibrium cooling conditions. The main reactions observed comprised formation of the alpha-Al dendritic network at 598°C followed by precipitation of the Al-Si eutectic and post-eutectic beta-Al5FeSi phase at 560°C; Mg2Si phase and transformation of the beta-phase into pi-Al8Mg 3FeSi6 phase at 540°C and 525°C; and lastly, precipitation of Al2Cu and Q-Al5Mg8Cu2Si 6 almost simultaneously at 498°C and 488°C. Larger sizes of AlFeNi and AlCuNi phase particles were observed in T alloy with its higher Ni content of 4 wt%, when compared to those seen in S alloy at 2% Ni content. Mn addition in Alloy U helps

Fabrication of an Fe80.5Si7.5B6Nb5Cu Amorphous-Nanocrystalline Powder Core with Outstanding Soft Magnetic Properties

Science.gov (United States)

Zhang, Zongyang; Liu, Xiansong; Feng, Shuangjiu; Rehman, Khalid Mehmood Ur

2018-03-01

In this study, the melt spinning method was used to develop Fe80.5Si7.5B6Nb5Cu amorphous ribbons in the first step. Then, the Fe80.5Si7.5B6Nb5Cu amorphous-nanocrystalline core with a compact microstructure was obtained by multiple processes. The main properties of the magnetic powder core, such as micromorphology, thermal behavior, permeability, power loss and quality factor, have been analyzed. The obtained results show that an Fe80.5Si7.5B6Nb5Cu amorphous-nanocrystalline duplex core has high permeability (54.8-57), is relatively stable at different frequencies and magnetic fields, and the maximum power loss is only 313 W/kg; furthermore, it has a good quality factor.

La5M3X (M=Sn, Bi; X=Cl, Br, I): exploring the limit of the Mn5Si3-type hosting lattice

International Nuclear Information System (INIS)

Zheng Chong; Mattausch, Hansjuergen; Simon, Arndt

2002-01-01

Three new compounds add to the family of the Mn 5 Si 3 type host-guest lattice. These are La 5 Sn 3 X (X=Cl, Br, I) synthesized from stoichiometric mixtures of La, LaX 3 and Sn heated under Ar atmosphere in sealed Ta ampoules at 850-990 deg. C for 13-62 days. La 5 Sn 3 X crystallize in the space group P6 3 /mcm (No. 193) with lattice parameters a=9.603(1) A, 9.637(1) A and 9.673(1) A; c=6.890(1) A, 6.931(1) A and 6.987(1) A, respectively, for X=Cl, Br and I. Computational analysis using both the extended Hueckel and the local density functional methods showed that the Sn and La site acts as electron reservoir, providing electrons to the interstitials as necessary. This gives rise to a metallic behavior. Susceptibility and conductivity measurements confirmed these predictions. The single crystal structure of La 5 Bi 3 Br is also reported

Titanium-bearing phases in the Earth's mantle (evidence from experiments in the MgO-SiO2-TiO2 ±Al2O3 system at 10-24 GPa)

Science.gov (United States)

Sirotkina, Ekaterina; Bobrov, Andrey; Bindi, Luca; Irifune, Tetsuo

2017-04-01

Introduction Despite significant interest of experimentalists to the study of geophysically important phase equilibria in the Earth's mantle and a huge experimental database on a number of the model and multicomponent systems, incorporation of minor elements in mantle phases was mostly studied on a qualitative level. The influence of such elements on structural peculiarities of high-pressure phases is poorly investigated, although incorporation of even small portions of them may have a certain impact on the PT-parameters of phase transformations. Titanium is one of such elements with the low bulk concentrations in the Earth's mantle (0.2 wt % TiO2) [1]; however, Ti-rich lithologies may occur in the mantle as a result of oceanic crust subduction. Thus, the titanium content is 0.6 wt% in Global Oceanic Subducted Sediments (GLOSS) [2], and 1.5 wt% TiO2, in MORB [3]. In this regard, accumulation of titanium in the Earth's mantle is related to crust-mantle interaction during the subduction of crustal material at different depths of the mantle. Experimental methods At 10-24 GPa and 1600°C, we studied the full range of the starting materials in the MgSiO3 (En) - MgTiO3 (Gkl) system in increments of 10-20 mol% Gkl and 1-3 GPa, which allowed us to plot the phase PX diagram for the system MgSiO3-MgTiO3 and synthesize titanium-bearing phases with a wide compositional range. The experiments were performed using a 2000-t Kawai-type multi-anvil high-pressure apparatus at the Geodynamics Research Center, Ehime University (Japan). The quenched samples were examined by single-crystal X-ray diffractometer, and the composition of phases was analyzed using SEM-EDS. Results The main phases obtained in experiments were rutile, wadsleyite, MgSiO3-enstatite, MgTiO3-ilmenite, MgTiSi2O7 with the weberite structure type (Web), Mg(Si,Ti)O3 and MgSiO3 with perovskite-type structure. At a pressure of 13 GPa for Ti-poor bulk compositions, an association of En+Wad+Rt is replaced by the

Enhanced mechanical properties of an Al–Si–Cu–Mg alloy at 300 °C: Effects of Mg and the Q-precipitate phase

International Nuclear Information System (INIS)

Farkoosh, A.R.; Pekguleryuz, M.

2015-01-01

Strategies to improve the strength of Al–Si alloys at elevated temperatures can follow two routes: (i) improving the age-hardening behavior and/or (ii) producing effective dispersoid strengthening. In this study, the influence of Mg (in the range of 0.3–0.7 wt%) on the precipitation characteristics and mechanical properties of the Al–7Si–0.5Cu–(Mg) alloy was investigated. Thermodynamic calculations were performed via the CALPHAD method which showed that Q-Al 5 Mg 8 Cu 2 Si 6 is the main thermodynamically stable precipitate at 300 °C. The calculations were validated by transmission electron microscopy and differential scanning calorimetry analyses. Increasing the Mg level from 0.3 wt% to the maximum solubility limit of ∼0.5 wt% increased the amount of the Q-Al 5 Mg 8 Cu 2 Si 6 precipitates at 300 °C by ∼60 wt% and significantly improved the tensile strength and creep resistance at the expense of some ductility. Mg in excess of the solubility limit was seen to remain within the microstructure in the form of the large π-Al 8 FeMg 3 Si 6 and β-Mg 2 Si intermetallics after solution treatment at 530 °C. Cracking of the brittle π-Al 8 FeMg 3 Si 6 intermetallics during deformation was accounted for the decreased ductility of the alloys at high Mg levels. It is concluded that the Mg level can be increased to 0.5 wt% in the A–7Si–0.5Cu alloys to improve strength. However, for elevated temperature applications in which both strength and ductility are required (e.g. Diesel engine), modification of the π-Al 8 FeMg 3 Si 6 intermetallics would be required to improve the ductility of the alloys with high Mg contents

Effect of Si/Ge ratio on resistivity and thermopower in Gd{sub 5}Si{sub x}Ge{sub 4-x} magnetocaloric compounds

Energy Technology Data Exchange (ETDEWEB)

Raj Kumar, D.M. [Defence Metallurgical Research Laboratory, Kanchanbagh, Hyderabad 500058 (India); Manivel Raja, M., E-mail: mraja@dmrl.drdo.i [Defence Metallurgical Research Laboratory, Kanchanbagh, Hyderabad 500058 (India); Prabahar, K.; Chandrasekaran, V. [Defence Metallurgical Research Laboratory, Kanchanbagh, Hyderabad 500058 (India); Poddar, Asok; Ranganathan, R. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Suresh, K.G. [Indian Institute of Technology Bombay, Mumbai 400076 (India)

2011-07-15

The effect of Si/Ge ratio on resistivity and thermopower behavior has been investigated in the magnetocaloric ferromagnetic Gd{sub 5}Si{sub x}Ge{sub 4-x} compounds with x=1.7-2.3. Microstructural studies reveal the presence of Gd{sub 5}(Si,Ge){sub 4}-matrix phase (5:4-type) along with traces of secondary phases (5:5 or 5:3-type). The x=1.7 and 2.0 samples display the presence of a first order structural transition from orthorhombic to monoclinic phase followed by a magnetic transition of the monoclinic phase. The alloys with x=2.2 and 2.3 display only magnetic transitions of the orthorhombic phase. A low temperature feature apparent in the AC susceptibility and resistivity data below 100 K reflects an antiferromagnetic transition of secondary phase(s) present in these compounds. The resistivity behavior study correlates with microstructural studies. A large change in thermopower of -8 {mu}V/K was obtained at the magneto-structural transition for the x=2 compound. - Research highlights: Effect of Si/Ge ratio on microstructure, magneto-structural transitions, resistivity ({rho}) and thermopower S(T) behaviour has been investigated in Gd{sub 5}Si{sub x}Ge{sub 4-x} compounds with x=1.7, 2.0, 2.2 and 2.3. Microstructural studies reveal the presence of a Gd{sub 5}(Si,Ge){sub 4} -matrix phase (5:4-type) along with traces of secondary phases (5:5 or 5:3-type). The resistivity behaviour has shown good correlation with the microstructural studies. A large change in thermopower of -8{mu}V/K was obtained at the magneto-structural transition for the x=2 compound. The resistivity and change in thermopower values were high for the alloys with Si/Ge ratio {<=}1 compared to that of the alloys with Si/Ge ratio >1.

Effect of charge compensator ions (R+ = Li+, Na+ and K+) on Sr2MgSi2O7:Dy3+ phosphors by solid-state reaction method

Science.gov (United States)

Sahu, Ishwar Prasad

2016-09-01

The Sr2MgSi2O7:Dy3+ and Sr2MgSi2O7:Dy3+, R+ (R+ = Li+, Na+ and K+) phosphors were prepared by solid-state reaction method. The crystal structures of sintered phosphors were an akermanite-type structure which belongs to the tetragonal crystallography. The prepared phosphors were excited at 350 nm, and their corresponding emission spectrum were recorded at blue (482 nm) and yellow (575 nm) region due to the 4F9/2 → 6H15/2 and 4F9/2 → 6H13/2 transitions, respectively, of Dy3+ ions. Commission Internationale de L'Eclairage coordinates have been calculated for each sample and its value exhibited that overall emission is near white light. The possible mechanisms of discussed white light emitting phosphors were also investigated. In order to investigate the suitability of the samples as white color light sources for industrial uses, color purity, correlated color temperature (CCT) and color rendering index (CRI) were calculated. Values of color purity, CCT and CRI were found well within the defined acceptable range. With incorporating (R+ = Li+, Na+ and K+) as charge compensator ions, the emission intensity of Sr2MgSi2O7:Dy3+ can be obviously enhanced. The results indicate that prepared phosphors may be a potential application in display devices.

Effect of charge compensator ions (R+ = Li+, Na+ and K+) on Sr2MgSi2O7:Dy3+ phosphors by solid-state reaction method

International Nuclear Information System (INIS)

Sahu, Ishwar Prasad

2016-01-01

The Sr 2 MgSi 2 O 7 :Dy 3+ and Sr 2 MgSi 2 O 7 :Dy 3+ , R + (R + = Li + , Na + and K + ) phosphors were prepared by solid-state reaction method. The crystal structures of sintered phosphors were an akermanite-type structure which belongs to the tetragonal crystallography. The prepared phosphors were excited at 350 nm, and their corresponding emission spectrum were recorded at blue (482 nm) and yellow (575 nm) region due to the 4 F 9/2 → 6 H 15/2 and 4 F 9/2 → 6 H 13/2 transitions, respectively, of Dy 3+ ions. Commission Internationale de L'Eclairage coordinates have been calculated for each sample and its value exhibited that overall emission is near white light. The possible mechanisms of discussed white light emitting phosphors were also investigated. In order to investigate the suitability of the samples as white color light sources for industrial uses, color purity, correlated color temperature (CCT) and color rendering index (CRI) were calculated. Values of color purity, CCT and CRI were found well within the defined acceptable range. With incorporating (R + = Li + , Na + and K + ) as charge compensator ions, the emission intensity of Sr 2 MgSi 2 O 7 :Dy 3+ can be obviously enhanced. The results indicate that prepared phosphors may be a potential application in display devices. (orig.)

Preparation and spectral analysis of a new Tb3+-doped CaO-MgO-SiO2 glass ceramics

International Nuclear Information System (INIS)

Cheng Jinshu; Tian Peijing; Zheng Weihong; Xie Jun; Chen Zhenxia

2009-01-01

Tb 3+ -doped CaO-MgO-SiO 2 glass ceramics have been prepared and characterized. The structure and optical properties of the glass ceramics were studied by XRD, SEM, Raman, and fluorescence spectra. The precipitated crystalline phase in the glass ceramics was columnar CaMgSi 2 O 6 . Raman spectra showed the introduction of rare earth nearly had no influence on the sample structure. Fluorescence measurements showed that Tb 3+ ions entered into the diopside crystalline phase and induced a much stronger emission in the glass ceramics than that in the corresponding glass. With increase of Tb 3+ content and the introduction of Gd 3+ , the fluorescence intensity of the luminescent glass ceramic increased

Influence of the selected structural parameter on a depth of intergranular corrosion of Al-Si7-Mg0,3 aluminum alloy

Directory of Open Access Journals (Sweden)

L. Bernat

2015-10-01

Full Text Available The paper presents an influence of the Dendrite Arm Spacing (DAS microstructure parameter on the intergranular corrosion of AlSi7Mg aluminum alloy. The samples were subjected to the corrosion process for: 2,5; 12; 24; 48 and 96 hours in NaCl + HCl + H2O solution. It was noted that the DAS parameter significantly influenced on a distribution and depth of the intergranular corrosion of the hypoeutectic Al - Si - Mg silumin.

Effects of interstitial additions on the structure of Ti5Si3

International Nuclear Information System (INIS)

Williams, J. J.; Kramer, M. J.; Akinc, M.; Malik, S. K.

2000-01-01

Changes in the structure of Ti 5 Si 3 were measured by x-ray and neutron diffraction as carbon, nitrogen, or oxygen atoms were systematically incorporated into the lattice. Additionally, the lattice parameters and variable atomic positions of pure Ti 5 Si 3 were determined to be a=7.460 Aa, c=5.152 Aa, x Ti =0.2509, and x Si =0.6072. The measured trends in lattice parameters as carbon, nitrogen, or oxygen atoms were added to Ti 5 Si 3 showed that most of the previous studies on supposedly pure Ti 5 Si 3 were actually contaminated by these pervasive light elements. Also, oxygen and carbon additions were shown to strongly draw in the surrounding titanium atoms--evidence for bonding between these atoms. The bonding changes that occurred on addition of carbon, nitrogen, or oxygen acted to decrease the measured anisotropic properties of Ti 5 Si 3 , such as thermal expansion. (c) 2000 Materials Research Society

The role of Si and Ca on new wrought Mg-Zn-Mn based alloy

International Nuclear Information System (INIS)

Ben-Hamu, G.; Eliezer, D.; Shin, K.S.

2007-01-01

The development of new wrought magnesium alloys for automotive industry has increased in recent years due to their high potential as structural materials for low density and high strength/weight ratio demands. However, the poor mechanical properties of the magnesium alloys have led to search a new kind of magnesium alloys for better strength and ductility. Magnesium alloys show strong susceptibility to localized corrosion in chlorides solutions due to their inhomogeneous microstructure. The existence of intermetallics in the microstructure of magnesium alloys might represent initiation sites for localized corrosion. This is due to the formation of galvanic couples between the intermetallics and the surrounding matrix. The main objective of this research is to investigate the corrosion behavior of new magnesium alloys; Mg-Zn-Mn-Si-Ca (ZSMX) alloys. The ZSM6X1 + YCa alloys were prepared by using hot extrusion method. AC and DC polarization tests were carried out on the extruded rods, which contain different amounts of silicon or calcium. The potential difference in air between different phases and the matrix was examined using scanning Kelvin probe force microscopy (SKPFM). The phases present in the alloys have been identified by optical microscopy and scanning electron microscopy/energy dispersive X-ray spectroscopy. Four different phases were found, i.e. intermetallics containing Si-Mn, Mg-Si, Mg-Zn and Mg-Si-Ca phase. All phases exhibited higher potential differences relative to magnesium matrix indicating a cathodic behavior. The potential difference revealed significant dependence on the chemical composition of the phases. Based on the results obtained from the scanning Kelvin probe force microscopy, the cathodic phases are effective sites for the initiation of localized corrosion in Mg-Zn-Mn-Si-Ca alloys

Secondary precipitation in an Al-Mg-Si-Cu alloy

International Nuclear Information System (INIS)

Buha, J.; Lumley, R.N.; Crosky, A.G.; Hono, K.

2007-01-01

Interruption of a conventional T6 heat treatment at 177 deg. C for the Al-Mg-Si-Cu alloy 6061 after a short period of time (20 min), by inserting a dwell period at a lower temperature (e.g. 65 deg. C), promotes secondary precipitation of Guinier-Preston (GP) zones. As a consequence, a much greater number of precursors to the β'' precipitates are produced so that a finer and denser dispersion of this phase is formed when T6 ageing is resumed. This change in microstructure causes significant and simultaneous improvements in tensile properties and fracture toughness. Secondary precipitation of GP zones occurs through a gradual evolution of a large number of Mg-Si(-Cu)-vacancy co-clusters formed during the initial ageing at 177 deg. C. The precise mechanism of secondary precipitation has been revealed by three-dimensional atom probe microscopy supplemented by transmission electron microscopy and differential scanning calorimetry

Cube-phase in excess Hg-type Al-Mg-Si alloy studied by EFTEM

Czech Academy of Sciences Publication Activity Database

Matsuda, K.; Ishida, Y.; Müllerová, Ilona; Frank, Luděk; Ikeno, S.

2006-01-01

Roč. 41, č. 9 (2006), s. 2605-2610 ISSN 0022-2461 Institutional research plan: CEZ:AV0Z20650511 Keywords : Al-Mg-Si alloy * beta-phase * cube-phase * EFTEM * EDS Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 0.999, year: 2006

Irradiation Effect of Argon Ion on Interfacial Structure Fe(2nm/Si(tsi=0.5-2 nm Multilayer thin Film

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S. Purwanto

2010-04-01

Full Text Available Investigation includes formation of interfacial structure of Fe(2nm/Si(tSi= 0.5-2 nm multilayer thin film and the behavior of antiferromagnetic coupling between Fe layers due to Argon ion irradiation was investigated. [Fe(2nm/Si]30 multilayers (MLs with a thickness of Si spacer 0.5 - 2 nanometer were prepared on n-type (100 Si substrate by the helicon plasma sputtering method. Irradiation were performed using 400keV Ar ion to investigate the behavior of magnetic properties of the Fe/Si MLs. The magnetization measurements of Fe/Si MLs after 400keV Ar ion irradiation show the degradation of antiferromagnetic behavior of Fe layers depend on the ion doses. The Magnetoresistance (MR measurements using by Four Point Probe (FPP method also confirm that MR ratio decrease after ion irradiation. X-ray diffraction (XRD patterns indicate that the intensity of a satellite peak induced by a superlattice structure does not change within the range of ion dose. These results imply that the surface of interface structures after ion irradiation become rough although the layer structures are maintained. Therefore, it is considered that the MR properties of Fe/Si MLs also are due to the metallic superlattice structures such as Fe/Cr and Co/Cu MLs.

Why are SiX5(-) and GeX5(-) (X = F, Cl) stable but not CF5(-) and CCl5(-)?

Science.gov (United States)

Marchaj, Marzena; Freza, Sylwia; Skurski, Piotr

2012-03-01

The possible existence of the CF(5)(-), CCl(5)(-), SiF(5)(-), SiCl(5)(-), GeF(5)(-), and GeCl(5)(-) anions has been investigated using ab initio methods. The species containing Si and Ge as central atoms were found to adopt the D(3h)-symmetry trigonal bipyramidal equilibrium structures whose thermodynamic stabilities were confirmed by examining the most probable fragmentation channels. The ab initio re-examination of the electronic stabilities of the SiF(5)(-), SiCl(5)(-), GeF(5)(-), and GeCl(5)(-) anions [using the OVGF(full) method with the 6-311+G(3df) basis set] led to the very large vertical electron detachment (VDE) energies of 9.316 eV (SiF(5)(-)) and 9.742 eV (GeF(5)(-)), whereas smaller VDEs of 6.196 and 6.452 eV were predicted for the SiCl(5)(-) and GeCl(5)(-) species, respectively. By contrast, the high-symmetry and structurally compact anionic CF(5)(-) and CCl(5)(-) systems cannot exist due to the strongly repulsive potential predicted for the X(-) (F(-) or Cl(-)) approaching the CX(4) (CF(4) or CCl(4)). The formation of weakly bound CX(4)···X(-) (CF(4)···F(-) and CCl(4)···Cl(-)) anionic complexes (consisting of pseudotetrahedral neutral CX(4) with the weakly tethered X(-)) might be expected at low temperatures (approaching 0 K), whereas neither CX(5)(-) (CF(5)(-), CCl(5)(-)) systems nor CX(4)···X(-) (CF(4)···F(-) and CCl(4)···Cl(-)) complexes can exist in the elevated temperatures (above 0K) due to their susceptibility to the fragmentation (leading to the X(-) loss). © 2012 American Chemical Society

Electronic structure of the boron fullerene B14 and its silicon derivatives B13Si(+), B13Si(-) and B12Si2: a rationalization using a cylinder model.

Science.gov (United States)

Van Duong, Long; Nguyen, Minh Tho

2016-06-29

Geometric and electronic structures of the boron cluster B14 and its silicon derivatives B13Si(+), B13Si(-), and B12Si2 were determined using DFT calculations (TPSSh/6-311+G(d)). The B12Si2 fullerene, which is formed by substituting two B atoms at two apex positions of the B14 fullerene by two Si atoms, was also found as the global minimum structure. We demonstrated that the electronic structure and orbital configuration of these small fullerenes can be predicted by the wavefunctions of a particle on a cylinder. The early appearance of high angular node MOs in B14 and B12Si2 can be understood by this simple model. Replacement of one B atom at a top position of B14 by one Si atom, followed by the addition or removal of one electron does not lead to a global minimum fullerene structure for the anion B13Si(-) and cation B13Si(+). The early appearance of the 5σ1 orbital in B13Si(+) causes a lower stability for the fullerene-type structure.

Electrochemical corrosion behavior of Ni-containing hypoeutectic Al-Si alloy

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Abul Hossain

2015-12-01

Full Text Available Electrochemical corrosion characteristics of the thermally treated 2 wt % Ni-containing Al-6Si-0.5Mg alloy were studied in NaCl solutions. The corrosion behavior of thermally treated (T6 Al-6Si-0.5Mg (-2Ni alloys in 0.1 M NaCl solution was investigated by electrochemical potentiodynamic polarization technique consisting of linear polarization method using the fit of Tafel plot and electrochemical impedance spectroscopy (EIS techniques. Generally, linear polarization experiments revealed a decrease of the corrosion rate at thermal treated Al-6Si-0.5Mg-2Ni alloy. The EIS test results showed that there is no significant change in charge transfer resistance (Rct after addition of Ni to Al-6Si-0.5Mg alloy. The magnitude of the positive shift in the open circuit potential (OCP, corrosion potential (Ecorr and pitting corrosion potential (Epit increased with the addition of Ni to Al-6Si-0.5Mg alloy. The forms of corrosion in the studied Al-6Si-0.5Mg alloy (except Al-6Si-0.5Mg-2Ni alloy are pitting corrosion as obtained from the scanning electron microscopy (SEM study.

Effect of Nuclear Reactions on the Properties of Al-Mg-Si Alloys after Long-Time Exploitation in Research Reactors

CERN Document Server

Hofmann, A; Szteke, W; Hajewska, E; Wagner, T; Semina, V K

2004-01-01

Effect of fast neutron ($E>$ 0.1~?eV) irradiation on the mechanical properties and fracture morphology of the Al-Mg-Si alloys (PAR-1 and ???-1) after 40 years of exploitation in research nuclear reactors has been studied. Tested specimens were cut from structural elements of reactor EWA ($\\acute{\\rm S}$wierk, Poland). Irradiation induces degradation in mechanical properties, namely yield strength and ultimate strength increase, but elongation reduces. The mechanical property changes are caused by ageing of Al--Mg--Si alloy. During irradiation Si is formed from Al by the Al($n, \\gamma $)Si reaction. The presence of Si might cause strengthening of the Al--Mg--Si alloys by increasing precipitation of Mg$_{2}$Si or pure Si in the Al matrix. Post-irradiation activity studies of EWA reactor structural elements show that the high-activity $^{60}$Co and $^{65}$Zn isotopes have been formed by the nuclear reactions.

Effect of nuclear reactions on the properties of Al-Mg-Si alloys after long-time exploitation in research reactors

International Nuclear Information System (INIS)

Hofman, A.; Didyk, A.Yu.; Semina, V.K.; Szteke, W.; Hajewska, E.; Wagner, T.

2004-01-01

Effect of fast neutron (E > 0.1 MeV) irradiation on the mechanical properties and fracture morphology of the Al-Mg-Si alloys (PAR-1 and CAB-1) after 40 years of exploitation in research nuclear reactors has been studied. Tested specimens were cut from structural elements of reactor EWA (Swierk, Poland). Irradiation induces degradation in mechanical properties, namely yield strength and ultimate strength increase, but elongation reduces. The mechanical property changes are caused by ageing of Al-Mg-Si alloys. During irradiation Si is formed from Al by the Al(n, γ)Si reaction. The presence of Si might cause strengthening of the Al-Mg-Si alloys by increasing precipitation of Mg 2 Si or pure Si in the Al matrix. Post-irradiation activity studies of EWA reactor structural elements show that the high-activity 60 Co and 65 Zn isotopes have been formed by the nuclear reactions

Microstructural stability concerning a potential nuclear use of Al-Mg-Si

International Nuclear Information System (INIS)

Urreta de Pereyra, S.E.

1990-01-01

Mechanical properties and microstructures in an Al-Mg-Si alloy (6061) are known to change during irradiation. Many authors report that mechanical strength reduces after irradiation and that the main cause of this drastic softening was shown to be the dissolution of hardening precipitates. In this work, the stability of needle-shaped precipitates before irradiation is studied. Evidence is provided to suggest that β' may not transform directly in β ' by growth, but that another nucleation event is necessary. For concentrations of about 1wt% Mg 2 Si, accidental reversion treatments of short times above 250 deg C are found to lead to a catastrophic drop in strength as a result of β' phase dissolution without simultaneous precipitation of β ' . It was also found that these phases may differ in composition as well as in structure as reported in the literature. Small precipitates are found in grain boundaries that are richer in silicon than the equilibrium phase Mg 2 Si. (Author)

Effect of magnesia on the degradability and bioactivity of sol-gel derived SiO2-CaO-MgO-P2O5 system glasses.

Science.gov (United States)

Ma, J; Chen, C Z; Wang, D G; Jiao, Y; Shi, J Z

2010-11-01

Mesoporous 58SiO(2)-(38-x)CaO-xMgO-4P(2)O(5) glasses (where x=0, 5, 10 and 20 mol%) have been prepared by the sol-gel synthesis route. The effects of the substitution of MgO for CaO on glass degradation and bioactivity were studied in tris-(hydroxymethyl)-aminomethane and hydrochloric acid buffer solution (Tris-HCl) and simulated body fluid (SBF), respectively. It is observed that the synthesized glasses with various MgO contents possess the similar textural properties. The studies of in vitro degradability and bioactivity show that the rate of glass degradation gradually decreases with the increase of MgO and the formation of apatite layer on glass surface is retarded. The influences of the composition upon glass properties are explained in terms of their internal structures. Copyright (c) 2010 Elsevier B.V. All rights reserved.

Positron depth profiling of the structural and electronic structure transformations of hydrogenated Mg-based thin films

Science.gov (United States)

Eijt, S. W. H.; Kind, R.; Singh, S.; Schut, H.; Legerstee, W. J.; Hendrikx, R. W. A.; Svetchnikov, V. L.; Westerwaal, R. J.; Dam, B.

2009-02-01

We report positron depth-profiling studies on the hydrogen sorption behavior and phase evolution of Mg-based thin films. We show that the main changes in the depth profiles resulting from the hydrogenation to the respective metal hydrides are related to a clear broadening in the observed electron momentum densities in both Mg and Mg2Ni films. This shows that positron annihilation methods are capable of monitoring these metal-to-insulator transitions, which form the basis for important applications of these types of films in switchable mirror devices and hydrogen sensors in a depth-sensitive manner. Besides, some of the positrons trap at the boundaries of columnar grains in the otherwise nearly vacancy-free Mg films. The combination of positron annihilation and x-ray diffraction further shows that hydrogen loading at elevated temperatures, in the range of 480-600 K, leads to a clear Pd-Mg alloy formation of the Pd catalyst cap layer. At the highest temperatures, the hydrogenation induces a partial delamination of the ˜5 nm thin capping layer, as sensitively monitored by positron depth profiling of the fraction of ortho-positronium formed at interface with the cap layer. The delamination effectively blocks the hydrogen cycling. In Mg-Si bilayers, we investigated the reactivity upon hydrogen loading and heat treatments near 480 K, which shows that Mg2Si formation is fast relative to MgH2. The combination of positron depth profiling and transmission electron microscopy shows that hydrogenation promotes a complete conversion to Mg2Si for this destabilized metal hydride system, while a partially unreacted, Mg-rich amorphous prelayer remains on top of Mg2Si after a single heat treatment in an inert gas environment. Thin film studies indicate that the difficulty of rehydrogenation of Mg2Si is not primarily the result from slow hydrogen dissociation at surfaces, but is likely hindered by the presence of a barrier for removal of Mg from the readily formed Mg2Si.

Non-isothermal precipitation behaviors of Al-Mg-Si-Cu alloys with different Zn contents

International Nuclear Information System (INIS)

Guo, M.X.; Zhang, Y.; Zhang, X.K.; Zhang, J.S.; Zhuang, L.Z.

2016-01-01

The non-isothermal precipitation behaviors of Al–Mg–Si–Cu alloys with different Zn contents were investigated by differential scanning calorimetry (DSC) analysis, hardness measurement and high resolution transmission electron microscope characterization. The results show that Zn addition has a significant effect on the GP zone dissolution and precipitation of Al-Mg-Si-Cu alloys. And their activation energies change with the changes of Zn content and aging conditions. Precipitation kinetics can be improved by adding 0.5 wt% or 3.0 wt%Zn, while be suppressed after adding 1.5 wt%Zn. The Mg-Si precipitates (GP zones and β″) are still the main precipitates in the Al-Mg-Si-Cu alloys after heated up to 250 °C, and no Mg-Zn precipitates are observed in the Zn-added alloy due to the occurrence of Mg-Zn precipitates reversion. The measured age-hardening responses of the alloys are corresponding to the predicted results by the established precipitation kinetic equations. Additionally, a double-hump phenomenon of hardness appears in the artificial aging of pre-aged alloy with 3.0 wt% Zn addition, which resulted from the formation of pre-β″ and β″ precipitates. Finally, the precipitation mechanism of Al-Mg-Si-Cu alloys with different Zn contents was proposed based on the microstructure evolution and interaction forces between Mg, Si and Zn atoms.

Crystal structure of a Ce2Fe2Mg15 compound

International Nuclear Information System (INIS)

Opainich, I.M.; Pavlyuk, V.V.; Bodak, O.I.

1996-01-01

A structure of a new Ce2Fe2Mg15 ternary compound (P63/mmc sp.gr., a=1.0324(5) nm, c=1.02080(4) nm) was determined by powder methods on a DRON-4.07 automatic diffractometer. The structure of a Ce2Fe2Mg15 crystal is a new variant of the ordered Th2Ni17 type superstructure, in which cerium atoms occupy the thorium positions; magnesium atoms occupy the nickel position 6g, 12k, and 12j; and iron atoms occupy the 4f position

Composition dependency of the glass forming ability (GFA) in Mg-Ni-Si system by mechanical alloying

International Nuclear Information System (INIS)

Xie Haowen; Lin Jianguo; Li Yuncang; Hodgson, Peter D.; Wen Cuie

2007-01-01

The pure elemental powder mixtures with the compositions of Mg 65 Ni x Si 35-x (x = 10, 20, 25, 33 at.%) were subject to high-energy ball mill, and the structures of the mixtures at different intervals of milling were characterised by X-ray diffraction (XRD). The compositional dependency of the glass forming ability (GFA) in Mg-Ni-Si system was evaluated based on the experimental results and the theoretical calculation. The compositional dependency of GFA in Mg-Ni-Si system can be understood well by comparing the enthalpies of the crystalline and amorphous phases based on the Miedema's theory for the formation enthalpy of alloys. Increasing the Ni/Mg ratio and/or decreasing Si content can improve the amorphous formability. The calculation results might be of great help in optimising the composition with high GFA in Mg-Ni-Si system

Effect of heat treatment on the properties of SiO2-CaO-MgO-P 2O 5 bioactive glasses.

Science.gov (United States)

Zhou, Yue; Li, Hongying; Lin, Kaili; Zhai, Wanying; Gu, Weiming; Chang, Jiang

2012-09-01

Since the invention of 45S5 Bioglass, researchers never stopped exploring new generation bioactive glass (BG) materials for wider applications in regenerative medicine, among which a novel SiO(2)-CaO-MgO-P(2)O(5) bioactive glass (BG20) is an excellent candidate. However, apart from their biocompatibility and bioactivity, a porous structure is also a must for a tissue engineering scaffold in successfully fixing bone defect. The porosity is the outcome of the high temperature (500-1,000 °C) treatment in the fabricating process of the bioglass scaffold. Under the high temperature, the amorphous glass material will become crystallized at certain percentage in the glass matrix, and possibly leading to consequent changes in the mechanical strength, biodegradability and bioactivity. To elucidate the effect of phase transition on the change of the properties of BG20, the experiments in this report were designed to fine-tuning the heat treating temperatures to fabricate a series of BG20 powders with different crystallization structures. X-ray diffraction revealed a positive correlation between the heating temperature and the crystallization, as well as the compressive strength of the materials. In vitro degradation and ion analysis by ICP-AES demonstrated a similar releasing behavior of different ions including Mg(2+), Ca(2+) and Si(4+), which in common is the tendency of decreasing of the ion concentration along with the increasing of the treating temperature. Cell proliferation assay using both mouse fibroblasts (NIH3T3) and bone marrow stromal cells (BMSCs) showed little toxicity of the ionic extract of the BG20 powders at all the treating temperatures, while fibroblasts demonstrated a significant promoting in the percentage of proliferation. Furthermore, reverse-transcription and polymerase chain reaction analysis on two representative marker genes for early osteogenesis and endochondral ossification, respectively, type I collagen alpha 1 and Indian Hedge-hog, showed

Fine-structured aluminium products with controllable texture by selective laser melting of pre-alloyed AlSi10Mg powder

International Nuclear Information System (INIS)

Thijs, Lore; Kempen, Karolien; Kruth, Jean-Pierre; Van Humbeeck, Jan

2013-01-01

Graphical abstract: -- Abstract: This study shows that AlSi10Mg parts with an extremely fine microstructure and a controllable texture can be obtained through selective laser melting (SLM). Selective laser melting creates complex functional products by selectively melting powder particles of a powder bed layer after layer using a high-energy laser beam. The high-energy density applied to the material and the additive character of the process result in a unique material structure. To investigate this material structure, cube-shaped SLM parts were made using different scanning strategies and investigated by microscopy, X-ray diffraction and electron backscattered diffraction. The experimental results show that the high thermal gradients occurring during SLM lead to a very fine microstructure with submicron-sized cells. Consequently, the AlSi10Mg SLM products have a high hardness of 127 ± 3 Hv0.5 even without the application of a precipitation hardening treatment. Furthermore, due to the unique solidification conditions and the additive character of the process, a morphological and crystallographic texture is present in the SLM parts. Thanks to the knowledge gathered in this paper on how this texture is formed and how it depends on the process parameters, this texture can be controlled. A strong fibrous 〈1 0 0〉 texture can be altered into a weak cube texture along the building and scanning directions when a rotation of 90° of the scanning vectors within or between the layers is applied

Refinement of Mg{sub 2}Si reinforcement in a commercial Al–20%Mg{sub 2}Si in-situ composite with bismuth, antimony and strontium

Energy Technology Data Exchange (ETDEWEB)

Nordin, Nur Azmah; Farahany, Saeed, E-mail: saeedfarahany@gmail.com; Ourdjini, Ali; Abu Bakar, Tuty Asma; Hamzah, Esah

2013-12-15

Refinement by addition elements of Al–Mg{sub 2}Si alloys is known to result in a change of primary Mg{sub 2}Si morphology. In this paper, the effects of Bi, Sb and Sr on the characteristic parameters of Al–20%Mg{sub 2}Si in-situ composite have been investigated by computer aided cooling curve thermal analysis and microstructural inspection. Size, density and aspect ratio measurements showed that additions of 0.4 wt.% Bi, 0.8 wt.% Sb and 0.01 wt.% Sr refined the Mg{sub 2}Si reinforcement. Exceeding these concentrations, however, resulted in coarsening of Mg{sub 2}Si particles with no change in the morphology. The results also showed that addition elements caused a decrease in the nucleation and growth temperatures of Mg{sub 2}Si particles. The refining effect of Bi, Sb and Sr is likely to be related to the effect of oxide bifilms suspended in the composite melt as favored nucleation substrates for Mg{sub 2}Si particles. - Highlight: • 0.4 wt.%, 0.8 wt.% and 0.01 wt.% is the optimum content for Bi, Sb and Sr addition. • Exceeding optimum concentration resulted in the coarsening of reinforcements. • Nucleation and growth temperatures decrease with addition of Bi, Sb and Sr. • The refining effect of Bi, Sb and Sr is likely to be related to the oxide bifilms.

Electron paramagnetic resonance study on n-type electron-irradiated 3C-SiC

Energy Technology Data Exchange (ETDEWEB)

Carlsson, P; Rabia, K; Son, N T; Janzen, E [Department of Physics, Chemistry and Biology, Linkoeping University, SE-581 83 Linkoeping (Sweden); Ohshima, T; Morishita, N; Itoh, H [Japan Atomic Energy Research Institute, Takasaki 370-1292 (Japan); Isoya, J [University of Tsukuba, Tsukuba 305-8550 (Japan)], E-mail: paca@ifm.liu.se

2008-03-15

Electron Paramagnetic Resonance (EPR) was used to study defects in n-type 3C-SiC films irradiated by 3-MeV electrons at room temperature with a dose of 2x10{sup 18} cm{sup -2}. After electron irradiation, two new EPR spectra with an effective spin S = 1, labeled L5 and L6, were observed. The L5 center has C{sub 3v} symmetry with g = 2.004 and a fine-structure parameter D = 436.5x10{sup -4} cm{sup -1}. The L5 spectrum was only detected under light illumination and it could not be detected after annealing at {approx}550{sup 0}C. The principal z-axis of the D tensor is parallel to the <111>-directions, indicating the location of spins along the Si-C bonds. Judging from the symmetry and the fact that the signal was detected under illumination in n-type material, the L5 center may be related to the divacancy in the neutral charge state. The L6 center has a C{sub 2v}-symmetry with an isotropic g-value of g = 2.003 and the fine structure parameters D = 547.7x10{sup -4} cm{sup -1} and E = 56.2x10{sup -4} cm{sup -1}. The L6 center disappeared after annealing at a rather low temperature ({approx}200 deg. C), which is substantially lower than the known annealing temperatures for vacancy-related defects in 3C-SiC. This highly mobile defect may be related to carbon interstitials.

Effect of aqueous Si/Mg ratio and pH on the nucleation and growth of sepiolite at 25 °C

Science.gov (United States)

Baldermann, Andre; Mavromatis, Vasileios; Frick, Paula M.; Dietzel, Martin

2018-04-01

Sepiolite [Mg4Si6O15(OH)2·6H2O] is a trioctahedral 2:1 Mg-silicate that has been often used to reconstruct the evolution of sedimentary environments and facies in the geological record. To date, however, the reaction paths underlying sepiolite formation are poorly constrained and most of the existing models are based on empirical observations. In order to shed light on the mechanisms controlling the formation of this mineral phase, in the present study, sepiolite was precipitated at 25 ± 1 °C from modified seawater and MgCl2 solutions undersaturated with respect to brucite and amorphous silica. Although a suite of hydrous Mg-silicates, such as kerolite, saponite, stevensite and talc, were oversaturated in the solutions at a higher level relative to sepiolite at any time of reaction, poorly crystallized, aluminous sepiolite was the only precipitate after 91 days. The precipitated sepiolite [Mg3.4-3.8Al0.1-0.4)∑3.8-3.9(Si5.9-6.0Al0-0.1)O15(OH)2·nH2O] shares a number of structural and chemical similarities with natural sepiolite, such as a fibrous crystal shape and an atomic Si/(Si + Mg+Al) ratio of ∼0.61. The proposed reaction path for the formation of sepiolite is based on the temporal evolution of the chemical compositions of the experimental solution and solids: (i) Nucleation and growth of Al-sepiolite occurred during the first 8 days of the experimental runs via condensation and polymerization of Sisbnd OH tetrahedra onto Mg-Al-O-OH template sheets at a precipitation rate of ∼2.19 ± 0.01 × 10-10 mol s-1. (ii) At decreasing pH and in the absence of [Al]aq this intermediate phase transformed into aluminous sepiolite at a slower crystal growth rate of ∼1.08 ± 0.02 × 10-12 mol s-1. This finding explains the high abundances of sepiolite in highly alkaline, evaporitic, lacustrine and soil environments, where the growth rates of sepiolite are considered faster (10-11 to 10-10 mol s-1, Brady, 1992). We propose that (i) low rates of Mg2+ ion dehydration