Mechanically driven phase separation and corresponding microhardness change in Cu60Zr20Ti20 bulk metallic glass

DEFF Research Database (Denmark)

Cao, Q.P.; Li, J.F.; Zhou, Y.H.

2005-01-01

Rolling deformation of bulk Cu60Zr20Ti20 metallic glass has been performed at cryogenic temperature. The specimens exhibit excellent ductility, and are rolled up to 97% reduction in thickness without fracture. Crystallization is suppressed during the deformation, however, phase separation is obse...... is observed in the glassy matrix when the thickness reduction exceeds 89%. Once the phase separation occurs, the microhardness of the specimen increases drastically, indicating the existence of work hardening by severe plastic deformation of the metallic glass.......Rolling deformation of bulk Cu60Zr20Ti20 metallic glass has been performed at cryogenic temperature. The specimens exhibit excellent ductility, and are rolled up to 97% reduction in thickness without fracture. Crystallization is suppressed during the deformation, however, phase separation...

Improved Plasticity of Ti-Based Bulk Metallic Glass at Room Temperature by Electroless Thin Nickel Coating

Directory of Open Access Journals (Sweden)

Xin Wang

2017-12-01

Full Text Available By restricting the dilated deformation, surface modification can stimulate multiple shear banding and improve the plasticity of bulk metallic glasses (BMGs. Aimed at modifying the surface of BMGs by thin layers, a crystalline Ni coating with ultrafine grains was coated on the surface of a Ti-based BMG by electroless plating. With a thickness of about 10 μm, the prepared thin coating could effectively limit the fast propagation of primary shear bands and stimulate the nucleation of multiple shear bands. As a result, the compression plasticity of the coated Ti-based BMG was improved to about 3.7% from near 0% of the non-coated BMG. Except for a small amount of Ni coating was adhered to the BMG substrate after fracture, most of the coatings were peeled off from the surface. It can be attributed to the abnormal growth of some coarse grains/particles in local region of the coating, which induces a large tensile stress at the interface between the coating and the BMG substrate. It is suggested that, for electroless nickel plating, improving the adhesive bonding strength between the coating and the substrate has a better geometric restriction effect than simply increasing the thickness of the coating.

Second amorphous-to-crystalline phase transformation in Cu60Ti20Zr20 bulk metallic glass

DEFF Research Database (Denmark)

Cao, Q.P.; Li, J.F.; Zhang, P.N.

2007-01-01

The second amorphous-to-crystalline phase transformation in Cu60Ti20Zr20 bulk metallic glass was investigated by differential scanning calorimetry and x-ray diffractometry. The difference of the Gibbs free energies between the amorphous phase and the crystalline products during the transformation...

Investigation of the microcrack evolution in a Ti-based bulk metallic glass matrix composite

Directory of Open Access Journals (Sweden)

Yongsheng Wang

2014-04-01

Full Text Available The initiation and evolution behavior of the shear-bands and microcracks in a Ti-based metallic-glass–matrix composite (MGMC were investigated by using an in-situ tensile test under transmission electron microscopy (TEM. It was found that the plastic deformation of the Ti-based MGMC related with the generation of the plastic deformation zone in crystalline and shear deformation zone in glass phase near the crack tip. The dendrites can suppress the propagation of the shear band effectively. Before the rapid propagation of cracks, the extending of plastic deformation zone and shear deformation zone ahead of crack tip is the main pattern in the composite.

Zirconium based bulk metallic glasses

International Nuclear Information System (INIS)

Dey, G.K.; Neogy, S.; Savalia, R.T.; Tewari, R.; Srivastava, D.; Banerjee, S.

2006-01-01

Metallic glasses have come into prominence in recent times because their nanocrystalline atomic arrangement imparts many useful and unusual properties to these metallic solids. In this study, bulk glasses have been obtained in Zr based multicomponent alloy by induction melting these alloys in silica crucibles and casting these in form of rods 3 and 6 mm in diameter in a copper mould

Hierarchical surface patterning of Ni- and Be-free Ti- and Zr-based bulk metallic glasses by thermoplastic net-shaping

Energy Technology Data Exchange (ETDEWEB)

Sarac, Baran, E-mail: b.sarac@ifw-dresden.de [IFW Dresden, Institute for Complex Materials, Helmholtzstrasse 20, D-01069 Dresden (Germany); Erich Schmid Institute of Materials Science, Austrian Academy of Sciences (ÖAW), Jahnstrasse 12, A-8700 Leoben (Austria); Bera, Supriya [IFW Dresden, Institute for Complex Materials, Helmholtzstrasse 20, D-01069 Dresden (Germany); Balakin, Sascha [IFW Dresden, Institute for Complex Materials, Helmholtzstrasse 20, D-01069 Dresden (Germany); ETH Zurich, Department of Materials, Metal physics und Technology, Vladimir-Prelog-Weg 4, HCI J 492, 8093 Zürich (Switzerland); Stoica, Mihai [IFW Dresden, Institute for Complex Materials, Helmholtzstrasse 20, D-01069 Dresden (Germany); Politehnica University of Timisoara, P-ta Victoriei 2, RO-300006 Timisoara (Romania); Fraunhofer Institute for Ceramic Technologies and Systems IKTS, Winterbergstrasse 28, 01277, Dresden (Germany); Calin, Mariana, E-mail: m.calin@ifw-dresden.de [IFW Dresden, Institute for Complex Materials, Helmholtzstrasse 20, D-01069 Dresden (Germany); Eckert, Jürgen [Erich Schmid Institute of Materials Science, Austrian Academy of Sciences (ÖAW), Jahnstrasse 12, A-8700 Leoben (Austria); Department Materials Physics, Montanuniversität Leoben, Jahnstrasse 12, A-8700 Leoben (Austria)

2017-04-01

In order to establish a strong cell-material interaction, the surface topography of the implant material plays an important role. This contribution aims to analyze the formation kinetics of nickel and beryllium-free Ti- and Zr-based Bulk Metallic Glasses (BMGs) with potential biomedical applications. The surface patterning of the BMGs is achieved by thermoplastic net-shaping (TPN) into anisotropically etched cavities of silicon chips. The forming kinetics of the BMG alloys is assessed by thermal and mechanical measurements to determine the most suitable processing temperature and time, and load applied. Array of pyramidal micropatterns with a tip resolution down to 50 nm is achievable for the Zr-BMG, where the generated hierarchical features are crucial for surface functionalization, acting as topographic cues for cell attachment. The unique processability and intrinsic properties of this new class of amorphous alloys make them competitive with the conventional biomaterials. - Highlights: • Micro to nano-scale hierarchical surface patterns achieved by TPN of BMGs • Ni- and Be-free Zr-/Ti-BMGs with different GFA compared in terms of flow kinetics • Correlation between filling depths of Zr- and Ti-BMGs best described by formability • Multi-scale hierarchical patterning envisaged to facilitate BMG-cell interaction.

New insight on glass-forming ability and designing Cu-based bulk metallic glasses: The solidification range perspective

International Nuclear Information System (INIS)

Wu, Jili; Pan, Ye; Li, Xingzhou; Wang, Xianfei

2014-01-01

Highlights: • The equation, T rg = T g /T l , was rotationally modified to T rg = κ(T m /T l ) + C/T l . • The newly generalized equation suggests a way for describing glass-forming ability. • Several new Cu-based bulk metallic glasses were discovered by solidification range. - Abstract: In this paper, a new equation was rationally generalized from the reduced glass transition temperature. This equation indicates that solidification range can be used for describing glass-forming ability, which can be calculated with the aid of computational thermodynamic approach. Based on this scenario, several new Cu-based bulk metallic glasses in the ternary Cu–Zr–Ti alloy system were discovered. The as-cast samples were characterized by X-ray diffraction and transmission electronic microscopy. The results indicate that as-cast samples have monolithic amorphous nature. Thermal analysis validates that the smaller solidification range is closely related to the higher glass-forming ability, which is contributed to the effect of solidification time on the formation of bulk metallic glasses. This work also suggests that solidus can influence glass formation

Crystallization in Zr41.2Ti13.8Cu12.5Ni10Be22.5 bulk metallic glass under pressure

DEFF Research Database (Denmark)

Jiang, Jianzhong; Zhou, T.J.; Rasmussen, Helge Kildahl

2000-01-01

The effect of pressure on the crystallization behavior of the bulk metallic glass-forming Zr41.2Ti13.8Cu12.5Ni10Be22.5 alloy with a wide supercooled liquid region has been investigated by in situ high-pressure and high-temperature x-ray powder diffraction measurements using synchrotron radiation......)], reporting a decrease of the crystallization temperature under pressure in a pressure range of 0-6 GPa for the bulk glass Zr41Ti14Cu12.5Ni9Be22.5C1 alloy. Compressibility with a volume reduction of approximately 22% at room temperature does not induce crystallization in the Zr41.2Ti13.8Cu12.5Ni10Be22.5 bulk...... glass alloy. This indicates that the densification effect induced by pressure in the pressure range investigated plays a minor role in the crystallization behavior of this bulk glass alloy. The different crystallization behavior of the carbon-free and the carbon-containing glassy alloys has been...

Non-isothermal crystallization kinetics and fragility of (Cu46Zr47Al7)97Ti3 bulk metallic glass investigated by differential scanning calorimetry

International Nuclear Information System (INIS)

Zhu, Man; Li, Junjie; Yao, Lijuan; Jian, Zengyun; Chang, Fang’e; Yang, Gencang

2013-01-01

Highlights: • Non-isothermal crystallization kinetics of (Cu 46 Zr 47 Al 7 ) 97 Ti 3 BMGs was studied. • Two-stage of crystallization process is confirmed by DSC. • The nucleation process is difficult than growth process during crystallization. • The second crystallization process is the most sensitive to heating rate. • Kinetic fragility index is evaluated suggesting it is an intermediate glass. - Abstract: In this paper, bulk metallic glasses with the composition of (Cu 46 Zr 47 Al 7 ) 97 Ti 3 were prepared by copper mold casting technique. X-ray diffraction (XRD) and differential scanning calorimetry (DSC) were used to investigate its structure and non-isothermal crystallization kinetics. DSC traces revealed that it undergoes two-stage crystallization. The activation energies corresponding to the characteristic temperatures have been calculated, and the results reveal that the as-cast alloys have a good thermal stability in thermodynamics. Based on Kissinger equation, the activation energies for glass transition, the first and second crystallization processes were obtained as 485 ± 16 kJ/mol, 331 ± 7 kJ/mol and 210 ± 3 kJ/mol, respectively, suggesting that the nucleation process is more difficult than the grain growth process. The fitting curves using Lasocka's empirical relation show that the influence of the heating rate for crystallization is larger than glass transition. Furthermore, the kinetic fragility for (Cu 46 Zr 47 Al 7 ) 97 Ti 3 bulk metallic glasses is evaluated. Depending on the fragility index, (Cu 46 Zr 47 Al 7 ) 97 Ti 3 bulk metallic glasses should be considered as “intermediate glasses”

Efficiency Enhancement in Bulk Heterojunction Polymer Photovoltaic Cells Using ZrTiO4/Bi2O3 Metal-Oxide Nanocomposites

DEFF Research Database (Denmark)

Abdul Jabbar, Mohammed Hussain; Neppolian, B.; Shim, Hee-Sang

2010-01-01

We report the effect of metal-oxide nanocomposites on the performance of bulk heterojunction polymer solar cells. A photoactive layer composed of poly(3-hexylthiophene) (P3HT) and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) was blended with a newly developed ZrTiO4/Bi2O3 (BITZ) metal-oxide...

Comparison of mechanical behavior between bulk and ribbon Cu-based metallic glasses

International Nuclear Information System (INIS)

Jiang, W.H.; Liu, F.X.; Wang, Y.D.; Zhang, H.F.; Choo, H.; Liaw, P.K.

2006-01-01

As-cast bulk and as-spun ribbon Cu 60 Zr 30 Ti 10 metallic glasses were characterized using differential-scanning calorimetry and instrumented nanoindentation. Two alloys show a significant difference in the amount of free volume, which is attributed to the difference in a cooling rate, while exhibiting a similar serrated plastic flow. Atomic-force-microscopy observations demonstrate the pile-ups containing shear bands around the indents in both alloys. The as-cast bulk alloy has higher hardness and elastic modulus than the as-spun ribbon alloy. The difference in the strengths of two alloys may be related to the different amount of free volume. The strength seems to be more sensitive to a cooling rate during solidification than the plastic-flow behavior in the Cu 60 Zr 30 Ti 10

Unusual glass-forming ability induced by changes in the local atomic structure in Ti-based bulk metallic glass

International Nuclear Information System (INIS)

Kim, Y C; Chang, H J; Kim, D H; Kim, W T; Cha, P R

2007-01-01

The effect of partial replacement of Cu by Be in Ti 50 Cu 32 Ni 15 Sn 3 alloy on the thermal properties, structure, and forming ability of an amorphous phase were investigated by differential scanning calorimetry (DSC), x-ray diffraction (XRD), extended x-ray absorption fine structure (EXAFS), and high-resolution transmission electron microscopy (HRTEM). Ti 50 Cu 25 Ni 15 Sn 3 Be 7 alloy shows enhanced glass-forming ability, enabling one to fabricate a fully amorphous bulk metallic glass sample 2 mm in diameter by injection casting. With the replacement, the supercooled liquid region ΔT x (= T x -T g , where T x is the crystallization temperature and T g is the glass transition temperature) decreased from 73 to 45 K and the reduced glass transition temperature T rg (= T g /T 1 , where T 1 is the liquidus temperature) increased from 0.53 to 0.57. The amorphous Ti 50 Cu 25 Ni 15 Sn 3 Be 7 phase showed a formation of short-range-ordered clusters 1-2 nm in size, which is attributed to the strong interaction between Ti and Be. The results show that ΔT x can be used as a thermal parameter reflecting the glass-forming ability of the alloy only when the phase formed during crystallization is the same as the phase competing with the glass transition during solidification

Thulium-based bulk metallic glass

International Nuclear Information System (INIS)

Yu, H. B.; Yu, P.; Wang, W. H.; Bai, H. Y.

2008-01-01

We report the formation and properties of a thulium-based bulk metallic glass (BMG). Compared with other known rare-earth (RE) based BMGs, Tm-based BMGs show features of excellent glass formation ability, considerable higher elastic modulus, smaller Poisson's ratio, high mechanical strength, and intrinsic brittleness. The reasons for the different properties between the Tm-based and other RE-based BMGs are discussed. It is expected that the Tm-based glasses with the unique properties are appropriate candidates for studying some important issues in BMGs

Theoretical prediction of Grüneisen parameter for SiO_2.TiO_2 bulk metallic glasses

International Nuclear Information System (INIS)

Singh, Chandra K.; Pandey, Brijesh K.; Pandey, Anjani K.

2016-01-01

The Grüneisen parameter (γ) is very important to decide the limitations for the prediction of thermoelastic properties of bulk metallic glasses. It can be defined in terms of microscopic and macroscopic parameters of the material in which former is based on vibrational frequencies of atoms in the material while later is closely related to its thermodynamic properties. Different formulation and equation of states are used by the pioneer researchers of this field to predict the true sense of Gruneisen parameter for BMG but for SiO_2.TiO_2 very few and insufficient information is available till now. In the present work we have tested the validity of two different isothermal EOS viz. Poirrior-Tarantola EOS and Usual-Tait EOS to predict the true value of Gruneisen parameter for SiO_2.TiO_2 as a function of compression. Using different thermodynamic limitations related to the material constraints and analyzing obtained result it is concluded that the Poirrior-Tarantola EOS gives better numeric values of Grüneisen parameter (γ) for SiO_2.TiO_2 BMG.

Half-metallic magnetism in Ti3Co5-xFexB2

Directory of Open Access Journals (Sweden)

Rohit Pathak

2017-05-01

Full Text Available Bulk alloys and thin films of Fe-substituted Ti3Co5B2 have been investigated by first-principle density-functional calculations. The series, which is of interest in the context of alnico magnetism and spin electronics, has been experimentally realized in nanostructures but not in the bulk. Our bulk calculations predict paramagnetism for Ti3Co5B2, Ti3Co4FeB2 and Ti3CoFe4B2, whereas Ti3Fe5B2 is predicted to be ferromagnetic. The thin films are all ferromagnetic, indicating that moment formation may be facilitated at nanostructural grain boundaries. One member of the thin-film series, namely Ti3CoFe4B2, is half-metallic and exhibits perpendicular easy-axis magnetic anisotropy. The half-metallicity reflects the hybridization of the Ti, Fe and Co 3d orbitals, which causes a band gap in minority spin channel, and the limited equilibrium solubility of Fe in bulk Ti3Co5B2 may be linked to the emerging half-metallicity due to Fe substitution.

Evaluation of surface energy state distribution and bulk defect concentration in DSSC photoanodes based on Sn, Fe, and Cu doped TiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Ako, Rajour Tanyi [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Ekanayake, Piyaisiri, E-mail: piyasiri.ekanayake@ubd.edu.bn [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Young, David James [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research -A*STAR, 3 Research Link, 117602 (Singapore); Faculty of Science, Health, Education and Engineering, University of the Sunshine Coast, Locked Bag 4, Maroochydore DC, Queensland, 4558 (Australia); Hobley, Jonathan [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Chellappan, Vijila [Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research - A*STAR, 3 Research Link, 117602 (Singapore); Tan, Ai Ling [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Gorelik, Sergey; Subramanian, Gomathy Sandhya [Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research - A*STAR, 3 Research Link, 117602 (Singapore); Lim, Chee Ming [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam)

2015-10-01

Graphical abstract: - Highlights: • The structural, optical and optoelectronic properties of 1 mol.% Fe, Sn and Cu doped TiO{sub 2} have been compared. • Transient lifetimes for pure TiO{sub 2} and Sn doped TiO{sub 2} were considerably shorter than Fe and Cu doped TiO{sub 2}. • A good correlation between the bulk defects and transient decay for the doped TiO{sub 2} powders was observed. • Photon to current conversion efficiency of DSSC based on the metal doped TiO{sub 2} were in order Sn-TiO{sub 2} > Cu-TiO{sub 2} > Pure >> Fe-TiO{sub 2}. • DSSC based on Fe doped photoanodes is limited by a high concentration of surface free holes observed at 433 nm. - Abstract: Electron transfer dynamics in the oxide layers of the working electrodes in both dye-sensitized solar cells and photocatalysts greatly influences their performance. A proper understanding of the distribution of surface and bulk energy states on/in these oxide layers can provide insights into the associated electron transfer processes. Metal ions like Iron (Fe), Copper (Cu) and Tin (Sn) doped onto TiO{sub 2} have shown enhanced photoactivity in these processes. In this work, the structural, optical and transient properties of Fe, Cu and Sn doped TiO{sub 2} nanocrystalline powders have been investigated and compared using EDX, Raman spectroscopy, X-ray Photoelectron spectroscopy (XPS), and Transient Absorption spectroscopy (TAS). Surface free energy states distributions were probed using Electrochemical Impedance spectroscopy (EIS) on Dye Sensitized Solar Cells (DSSC) based on the doped TiO{sub 2} photoanodes. Raman and XPS Ti2p{sub 3/2} peak shifts and broadening showed that the concentration of defects were in the order: Cu doped TiO{sub 2} > Fe doped TiO{sub 2} > Sn doped TiO{sub 2} > pure TiO{sub 2}. Nanosecond laser flash photolysis of Fe and Cu doped TiO{sub 2} indicated slower transient decay kinetics than that of Sn doped TiO{sub 2} or pure TiO{sub 2}. A broad absorption peak and fast

Hypervelocity impact on Zr51Ti5Ni10Cu25Al9 bulk metallic glass

International Nuclear Information System (INIS)

Zheng, W.; Huang, Y.J.; Pang, B.J.; Shen, J.

2011-01-01

Highlights: → Hypervelocity impact experiments were performed on a bulk metallic glass. → Morphology of the bullet hole presents three different regions. → The post-impact samples keep glassy structure. → Mechanical properties of the post-impact samples were studied by nanoindentation. → Mechanical properties of the post-impact samples were discussed by free-volume model. - Abstract: In this study, the hypervelocity impact experiments were performed on Zr 51 Ti 5 Ni 10 Cu 25 Al 9 bulk metallic glass using a two-stage light gas gun. The morphologies of the bullet holes exhibit three different regions: melting area, vein-pattern area, and radiating core feature area, suggesting that various regions experience different stress states during the hypervelocity impact. For the post-impact samples, the nano-hardness increases and plastic deformability decreases both with the increase in the distance from the bullet hole and with the decrease in the impact velocity, which is discussed by means of spherical stress wave theory and free-volume model.

Nanoindentation studies on Cu-Ti-Zr-Ni-Si-Sn bulk metallic glasses

International Nuclear Information System (INIS)

Mukhopadhyay, N.K.; Belger, A.; Paufler, P.; Kim, D.H.

2007-01-01

In the present investigation, Cu 47 Ti 33 Ni 6 Sn 2 Si 1 (numbers indicate at.%) bulk metallic glass (BMG), fabricated by injection casting has been used for indentation experiments. Microindentation and nanoindentation tests were conducted to study the indentation responses of this material. The nanohardness and the Young's modulus were calculated following the standard procedure in literature. Around the indent, shear bands can be clearly observed under scanning electron microscopy examination. Atomic-force microscopy shows the pile of the material in a step-wise manner. The thinned sample near the indent shows the evolution of nanocrystals (∼20-30 nm) by transmission electron microscopy. During nanoindentation (in single- and multi-indent mode) experiments, the load-displacement P-h curves show displacement bursts, which are also known as pop-ins or serrations. The total displacement during indentation can be accounted for by sum total effect of the individual displacement of all the displacement-bursts observed in the P-h curve. Thus the plastic deformation of this glassy material appears to proceed in a discrete manner unlike ductile metallic alloys

Bulk-surface relationship of an electronic structure for high-throughput screening of metal oxide catalysts

International Nuclear Information System (INIS)

Kweun, Joshua Minwoo; Li, Chenzhe; Zheng, Yongping; Cho, Maenghyo; Kim, Yoon Young; Cho, Kyeongjae

2016-01-01

Graphical abstract: - Highlights: • Bulk-surface relationship was predicted by the ligand field nature of metal oxides. • Antibonding and bonding d-bands occupancy clarified the bulk-surface relationship. • Different surface relaxations were explained by the bulk electronic structures. • Transition from the bulk to the surface state was simulated by oxygen adsorption. - Abstract: Designing metal-oxides consisting of earth-abundant elements has been a crucial issue to replace precious metal catalysts. To achieve efficient screening of metal-oxide catalysts via bulk descriptors rather than surface descriptors, we investigated the relationship between the electronic structure of bulk and that of the surface for lanthanum-based perovskite oxides, LaMO_3 (M = Ti, V, Cr, Mn, Fe, Co, Ni, Cu). Through density functional theory calculations, we examined the d-band occupancy of the bulk and surface transition-metal atoms (n_B_u_l_k and n_S_u_r_f) and the adsorption energy of an oxygen atom (E_a_d_s) on (001), (110), and (111) surfaces. For the (001) surface, we observed strong correlation between the n_B_u_l_k and n_S_u_r_f with an R-squared value over 94%, and the result was interpreted in terms of ligand field splitting and antibonding/bonding level splitting. Moreover, the E_a_d_s on the surfaces was highly correlated with the n_B_u_l_k with an R-squared value of more than 94%, and different surface relaxations could be explained by the bulk electronic structure (e.g., LaMnO_3 vs. LaTiO_3). These results suggest that a bulk-derived descriptor such as n_B_u_l_k can be used to screen metal-oxide catalysts.

Second amorphous-to-crystalline phase transformation in Cu(60)Ti(20)Zr(20) bulk metallic glass.

Science.gov (United States)

Cao, Q P; Li, J F; Zhang, P N; Horsewell, A; Jiang, J Z; Zhou, Y H

2007-06-20

The second amorphous-to-crystalline phase transformation in Cu(60)Ti(20)Zr(20) bulk metallic glass was investigated by differential scanning calorimetry and x-ray diffractometry. The difference of the Gibbs free energies between the amorphous phase and the crystalline products during the transformation is estimated to be about 2.46 kJ mol(-1) at 753 K, much smaller than the 61 kJ mol(-1) obtained assuming that it is a polymorphic transformation. It was revealed that the phase transformation occurs through a eutectic crystallization of Cu(51)Zr(14) and Cu(2)TiZr, having an effective activation energy of the order of 400 kJ mol(-1). The average Avrami exponent n is about 2.0, indicating that the crystallization is diffusion controlled.

Alloying effect on the room temperature creep characteristics of a Ti-Zr-Be bulk metallic glass

Science.gov (United States)

Gong, Pan; Wang, Sibo; Li, Fangwei; Wang, Xinyun

2018-02-01

The effect of alloying elements (e.g. Fe, Al, and Ni) on the room temperature creep behavior of a lightweight Ti41Zr25Be34 bulk metallic glass (BMG) was investigated via nanoindentation tests. The generalized Kelvin model was adopted to describe the creep curves. The strain rate sensitivity m has been derived as a measure of the creep resistance. The compliance spectrum and retardation spectrum were also derived. The results show that the creep resistance of Ti41Zr25Be34 alloy can be obviously improved with the addition of alloying elements, and the most effective element is found to be Al. The mechanism for enhancing the creep resistance was discussed in terms of the scale variation of the shear transformation zone induced by alloying.

Fatigue and corrosion of a Pd-based bulk metallic glass in various environments

Energy Technology Data Exchange (ETDEWEB)

Watanabe, L.Y. [East Los Angeles College, Monterey Park, CA 91754 (United States); Roberts, S.N. [Keck Laboratory of Materials Science, California Institute of Technology, Pasadena, CA 91125 (United States); Baca, N. [Department of Chemistry and Biochemistry, California State University Northridge, Northridge, CA 91330 (United States); Wiest, A. [Naval Surface Warfare Center, Norco, CA (United States); Garrett, S.J. [Department of Chemistry and Biochemistry, California State University Northridge, Northridge, CA 91330 (United States); Conner, R.D., E-mail: rdconner@csun.edu [Department of Manufacturing Systems Engineering and Management, California State University Northridge, 18111 Nordhoff St., Mail Code 8295, Northridge, CA 91330 (United States)

2013-10-15

Bulk metallic glasses (BMGs) possess attractive properties for biomedical applications, including high strength, hardness and corrosion resistance, and low elastic modulus. In this study, we conduct rotating beam fatigue tests on Pd{sub 43}Ni{sub 10}Cu{sub 27}P{sub 20} bulk metallic glass in air and Eagle's medium (EM) and measure the corrosive resistance of the alloy by submersion in acidic and basic electrolytes. Fatigue results are compared to those of commonly used biometals in EM. Rotating beam fatigue tests conducted in air and in Eagle's medium show no deterioration in fatigue properties in this potentially corrosive environment out to 10{sup 7} cycles. A specimen size effect is revealed when comparing fatigue results to those of a similar alloy of larger minimum dimensions. Corrosion tests show that the alloy is not affected by highly basic (NaOH) or saline (NaCl) solutions, nor in EM, and is affected by chlorinated acidic solutions (HCl) to a lesser extent than other commonly used biometals. Corrosion in HCl initiates with selective leaching of late transition metals, followed by dissolution of Pd. - Highlights: • Fatigue limit of 600 MPa with no deterioration when exposed to Eagle's medium. • Fatigue shows sample size effect. • Pd-based BMG is unaffected by saline or strong basic solutions. • Pd-based BMG is substantially more resistant to chlorinated acids than CoCrMo, 316 L Stainless, or Ti6Al4V alloys. • Corrosion shows selective leaching of late transition metals, followed by Pd and P.

Hydrogen insertion in titanium carbide based thin films (nc-TiC{sub x}/a-C:H) - comparison with bulk TiC{sub x}

Energy Technology Data Exchange (ETDEWEB)

Nguyen, Julien; Jaoul, Cédric, E-mail: jaoul@ensil.unilim.fr; Glandut, Nicolas; Lefort, Pierre

2016-08-01

Nanocomposites composed of titanium carbide nanosized grains embedded in an amorphous hydrogenated carbon matrix (nc-TiC{sub x}/a-C:H) are prepared by hybrid Magnetron Sputtering - PECVD process using a titanium metal target and gaseous C{sub 6}H{sub 6}. By controlling the benzene flow rate, thin films with different carbon content are obtained. The structures of nc-TiC{sub x}/a-C:H materials are analyzed by X-ray diffraction, X-ray photoelectron and Raman spectroscopic methods. The electrochemical hydrogen insertion, as studied by cyclic voltammetry, strongly depends on the carbon content in the thin films. The correlation between the hydrogen insertion ability and the structure of materials are discussed. Furthermore, we show that the hydrogen insertion in these thin films reaches values much more significant than in bulk substoichiometric titanium carbide obtained by reactive sintering. - Highlights: • nc-TiC{sub x}/a-C:H thin films are prepared hybrid Magnetron Sputtering - PECVD process. • Different carbon contents are obtained by changing the hydrocarbon flowrate. • Expanded lattice parameter of the TiC{sub x} phase and a-C:H phase are observed. • Electrochemical hydrogen insertion strongly depends on the carbon content. • The maximum insertion is 22 times more important than bulk TiC{sub x}.

Relation between calculated Lennard-Jones potential and thermal stability of Cu-based bulk metallic glasses

International Nuclear Information System (INIS)

Lin, T.; Bian, X.F.; Jiang, J.

2006-01-01

Two metallic bulk glasses, Cu 60 Zr 30 Ti 10 and Cu 47 Ti 33 Zr 11 Ni 8 Si 1 , with a diameter of 3 mm were prepared by copper mold casting method. Dilatometric measurement was carried out on the two glassy alloys to obtain information about the average nearest-neighbour distance r 0 and the effective depth of pair potential V 0 . By assuming a Lennard-Jones potential, r 0 and V 0 were calculated to be 0.28 nm and 0.16 eV for Cu 60 Zr 30 Ti 10 and 0.27 nm and 0.13 eV for Cu 47 Ti 33 Zr 11 Ni 8 Si 1 , respectively. It was found that the glassy alloy Cu 60 Zr 30 Ti 10 was more stable than Cu 47 Ti 33 Zr 11 Ni 8 Si 1 against heating from both experiment and calculation

Flow and Fracture of Bulk Metallic Glass Alloys and their Composites

International Nuclear Information System (INIS)

Flores, K M; Suh, D; Howell, R; Asoka-Kumar, P; Dauskardt, R H

2001-01-01

The fracture and plastic deformation mechanisms of a Zr-Ti-Ni-Cu-Be bulk metallic glass and a composite utilizing a crystalline reinforcement phase are reviewed. The relationship between stress state, free volume and shear band formation are discussed. Positron annihilation techniques were used to confirm the predicted increase in free volume after plastic straining. Strain localization and failure were examined for a wide range of stress states. Finally, methods for toughening metallic glasses are considered. Significant increases in toughness are demonstrated for a composite bulk metallic glass containing a ductile second phase which stabilizes shear band formation and distributes plastic deformation

Evaluation of Ni-free Zr–Cu–Fe–Al bulk metallic glass for biomedical implant applications

Energy Technology Data Exchange (ETDEWEB)

Sun, Ying-Sui [Institute of Oral Biology, National Yang-Ming University, Taipei, Taiwan (China); Zhang, Wei [School of Materials Science and Engineering, Dalian University of Technology, Dalian (China); Kai, Wu [Institute of Materials Engineering, National Taiwan Ocean University, Keelung, Taiwan (China); Liaw, Peter K. [Department of Materials Science and Engineering, The University of Tennessee, Knoxville, TN (United States); Huang, Her-Hsiung, E-mail: hhhuang@ym.edu.tw [Institute of Oral Biology, National Yang-Ming University, Taipei, Taiwan (China); Department of Dentistry, National Yang-Ming University, Taipei, Taiwan (China); Department of Dentistry, Taipei City Hospital, Taipei, Taiwan (China); Department of Stomatology, Taipei Veterans General Hospital, Taipei, Taiwan (China)

2014-02-15

Highlights: ► A Zr{sub 62.5}Cu{sub 22.5}Fe{sub 5}Al{sub 10} bulk metallic glass (BMG) with 50 GPa elastic modulus was used. ► This Ni-free Zr-based BMG had lower metal ion release rate than the commercial Ti. ► This Ni-free Zr-based BMG had better proteins adsorption than the commercial Ti. ► This Ni-free Zr-based BMG has a high potential for biomedical implant applications. -- Abstract: This study was conducted to investigate the surface characteristics, including the chemical composition, metal ion release, protein adsorption, and cell adhesion, of a Ni-free Zr-based (Zr{sub 62.5}Cu{sub 22.5}Fe{sub 5}Al{sub 10}) bulk metallic glass (BMG) with low elastic modulus for biomedical implant applications. X-ray photoelectron spectroscopy was used to identify the surface chemical composition and the protein (albumin and fibronectin) adsorption of the specimen. The metal ions released from the specimen in simulated blood plasma and artificial saliva solutions were measured using an inductively coupled plasma-mass spectrometer. The cell adhesion, in terms of the morphology, focal adhesion complex, and skeletal arrangement, of human bone marrow mesenchymal stem cells was evaluated using scanning electron microscope observations and immunofluorescent staining. For comparison purposes, the above-mentioned tests were also carried out on the widely used biomedical metal, Ti. The results showed that the main component on the outermost surface of the amorphous Zr{sub 62.5}Cu{sub 22.5}Fe{sub 5}Al{sub 10} BMG was ZrO{sub 2} with small amounts of Cu, Al, and Fe oxides. The released metal ions from Zr{sub 62.5}Cu{sub 22.5}Fe{sub 5}Al{sub 10} BMG were well below the critical concentrations that cause negative biological effects. The Zr{sub 62.5}Cu{sub 22.5}Fe{sub 5}Al{sub 10} BMG had a greater adsorption capacity for albumin and fibronectin than that of commercial biomedical Ti. The Zr{sub 62.5}Cu{sub 22.5}Fe{sub 5}Al{sub 10} BMG surface showed an attached cell number similar

Designing biocompatible Ti-based metallic glasses for implant applications

International Nuclear Information System (INIS)

Calin, Mariana; Gebert, Annett; Ghinea, Andreea Cosmina; Gostin, Petre Flaviu; Abdi, Somayeh; Mickel, Christine; Eckert, Jürgen

2013-01-01

Ti-based metallic glasses show high potential for implant applications; they overcome in several crucial respects their well-established biocompatible crystalline counterparts, e.g. improved corrosion properties, higher fracture strength and wear resistance, increased elastic strain range and lower Young's modulus. However, some of the elements required for glass formation (e.g. Cu, Ni) are harmful for the human body. We critically reviewed the biological safety and glass forming tendency in Ti of 27 elements. This can be used as a basis for the future designing of novel amorphous Ti-based implant alloys entirely free of harmful additions. In this paper, two first alloys were developed: Ti 75 Zr 10 Si 15 and Ti 60 Nb 15 Zr 10 Si 15 . The overheating temperature of the melt before casting can be used as the controlling parameter to produce fully amorphous materials or bcc-Ti-phase reinforced metallic glass nano-composites. The beneficial effect of Nb addition on the glass-formation and amorphous phase stability was assessed by X-ray diffraction, transmission electron microscopy and differential scanning calorimetry. Crystallization and mechanical behavior of ribbons are influenced by the amount and distribution of the nano-scaled bcc phase existing in the as-cast state. Their electrochemical stability in Ringer's solution at 310 K was found to be significantly better than that of commercial Ti-based biomaterials; no indication for pitting corrosion was recorded. Highlights: ► Link between biocompatibility and glass-forming ability of alloying additions in Ti ► Selection of Ti–Zr–Si and Ti–Zr–Nb–Si glass-forming alloys ► Two novel glassy alloys were developed: Ti 75 Zr 10 Si 15 and Ti 60 Nb 15 Zr 10 Si 15. ► Glass-formation, thermal stability, corrosion and mechanical behavior were studied. ► Assessing the suitability for orthopedic applications.

Thermal behaviors of liquid La-based bulk metallic glasses

Energy Technology Data Exchange (ETDEWEB)

Zhang, D. W.; Wang, X. D., E-mail: wangxd@zju.edu.cn, E-mail: jiangjz@zju.edu.cn; Lou, H. B.; Cao, Q. P.; Jiang, J. Z., E-mail: wangxd@zju.edu.cn, E-mail: jiangjz@zju.edu.cn [International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, and Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Wang, L. W. [Institute of Materials Science and Engineering, Lanzhou University, Lanzhou 730000 (China); Zhang, D. X. [State Key Laboratory of Modern Optical Instrumentation, Zhejiang University, Hangzhou 310027 (China)

2014-12-14

Thermal behaviors of liquid La-based bulk metallic glasses have been measured by using the dilatometer with a self-sealed sample cell. It is demonstrated that the strong glass forming liquid not only has the small thermal expansion coefficient but also shows the slow variation rate. Moreover, the strong glass former has relatively dense atomic packing and also small density change in the liquid state. The results suggest that the high glass forming ability of La-based metallic glasses would be closely related to the slow atomic rearrangements in liquid melts.

Nanostructured Ti-Zr-Pd-Si-(Nb) bulk metallic composites: Novel biocompatible materials with superior mechanical strength and elastic recovery.

Science.gov (United States)

Hynowska, A; Blanquer, A; Pellicer, E; Fornell, J; Suriñach, S; Baró, M D; Gebert, A; Calin, M; Eckert, J; Nogués, C; Ibáñez, E; Barrios, L; Sort, J

2015-11-01

The microstructure, mechanical behaviour, and biocompatibility (cell culture, morphology, and cell adhesion) of nanostructured Ti45 Zr15 Pd35- x Si5 Nbx with x = 0, 5 (at. %) alloys, synthesized by arc melting and subsequent Cu mould suction casting, in the form of rods with 3 mm in diameter, are investigated. Both Ti-Zr-Pd-Si-(Nb) materials show a multi-phase (composite-like) microstructure. The main phase is cubic β-Ti phase (Im3m) but hexagonal α-Ti (P63/mmc), cubic TiPd (Pm3m), cubic PdZr (Fm3m), and hexagonal (Ti, Zr)5 Si3 (P63/mmc) phases are also present. Nanoindentation experiments show that the Ti45 Zr15 Pd30 Si5 Nb5 sample exhibits lower Young's modulus than Ti45 Zr15 Pd35 Si5 . Conversely, Ti45 Zr15 Pd35 Si5 is mechanically harder. Actually, both alloys exhibit larger values of hardness when compared with commercial Ti-40Nb, (HTi-Zr-Pd-Si ≈ 14 GPa, HTi-Zr-Pd-Si-Nb ≈ 10 GPa and HTi-40Nb ≈ 2.7 GPa). Concerning the biological behaviour, preliminary results of cell viability performed on several Ti-Zr-Pd-Si-(Nb) discs indicate that the number of live cells is superior to 94% in both cases. The studied Ti-Zr-Pd-Si-(Nb) bulk metallic system is thus interesting for biomedical applications because of the outstanding mechanical properties (relatively low Young's modulus combined with large hardness), together with the excellent biocompatibility. © 2014 Wiley Periodicals, Inc.

Microstructural characterization of Mg-based bulk metallic glass and nanocomposite

Energy Technology Data Exchange (ETDEWEB)

Babilas, Rafał, E-mail: rafal.babilas@polsl.pl [Institute of Engineering Materials and Biomaterials, Silesian University of Technology, Konarskiego 18a St., 44-100 Gliwice (Poland); Nowosielski, Ryszard; Pawlyta, Mirosława [Institute of Engineering Materials and Biomaterials, Silesian University of Technology, Konarskiego 18a St., 44-100 Gliwice (Poland); Fitch, Andy [European Synchrotron Radiation Facility, CS40220, 38043 Grenoble (France); Burian, Andrzej [A. Chelkowski Institute of Physics, University of Silesia, Uniwersytecka 4 St., 40-007 Katowice (Poland)

2015-04-15

New magnesium-based bulk metallic glasses Mg{sub 60}Cu{sub 30}Y{sub 10} have been prepared by pressure casting. Glassy alloys were successfully annealed to become nanocomposite containing 200 nm crystallites in an amorphous matrix. The microstructure of bulk glassy alloy and nanocomposite obtained during heat treatment was examined by X-ray diffraction and scanning and high-resolution electron microscopy. Metallic glass has been also studied to explain the structural characteristics by the reverse Monte Carlo (RMC) modeling based on the diffraction data. The HRTEM images allow to indicate some medium-range order (MRO) regions about 2–3 nm in size and formation of local atomic clusters. The RMC modeling results confirmed some kinds of short range order (SRO) structures. It was found that the structure of bulk metallic glass formed by the pressure casting is homogeneous. The composite material contained very small particles in the amorphous matrix. Homogeneous glassy alloy had better corrosion resistance than a composite containing nanocrystalline particles in a glassy matrix. - Highlights: • RMC modeling demonstrates some kinds of SRO structures in Mg-based BMGs. • HRTEM indicated MRO regions about 2–3 nm and SRO regions about 0.5 nm in size. • Mg-based glassy alloys were successfully annealed to become nanocomposite material. • Crystalline particles have spherical morphology with an average diameter of 200 nm. • Glassy alloy had higher corrosion resistance than a nanocomposite sample.

Electronic and structural properties of TiB2: Bulk, surface, and nanoscale effects

International Nuclear Information System (INIS)

Volonakis, George; Tsetseris, Leonidas; Logothetidis, Stergios

2011-01-01

Titanium diboride (TiB 2 ), is a widely used hard material that comprises graphene-like layers of B and intercalated Ti atoms. Here we report the results of extensive first-principles calculations on key properties of bulk TiB 2 , TiB 2 surfaces, and TiB 2 nanocrystals (NCs). The computational approach is first validated based on the agreement between calculated structural and electronic properties of bulk TiB 2 and available experimental and theoretical data. We then obtain the formation energies for several surface cuts and use these values to construct TiB 2 NCs based on the Wulff theorem. Finally, we demonstrate by studying the adsorption of small molecules that hydrogen and oxygen adatoms can be attached through strongly exothermic chemisorption reactions on TiB 2 surfaces. Likewise, water molecules bind on various TiB 2 surfaces and NC facets, with an energetic preference for the latter. The results are relevant to applications that depend on reactivity-related TiB 2 properties, for example resistance to corrosion and interactions with water-based solutions.

Tuning apparent friction coefficient by controlled patterning bulk metallic glasses surfaces

Science.gov (United States)

Li, Ning; Xu, Erjiang; Liu, Ze; Wang, Xinyun; Liu, Lin

2016-12-01

Micro-honeycomb structures with various pitches between adjacent cells were hot-embossed on Zr35Ti30Cu8.25Be26.75 bulk metallic glass surface. The effect of pitch geometry on the frictional behavior of metallic glass surface was systematically investigated. The results revealed that all textured metallic glass surfaces show a reduction in friction coefficient compared to smooth surface. More intriguingly, the friction coefficient first decreased and then increased gradually with increasing pitches. Such unique behavior can be understood fundamentally from the perspective of competing effects between contact area and local stress level with increasing pitches. This finding not only enhance the in-depth understanding of the mechanism of the significant role of surface topography on the frictional behavior of metallic glass surface, but also opens a new route towards other functional applications for bulk metallic glasses.

Analysis of Pressure-Volume Relationship for Bulk Metallic Glasses

Directory of Open Access Journals (Sweden)

H. K. Rai

2008-01-01

Full Text Available Relationship between compression (V/V0 and pressure have been studied for five bulk metallic glasses (BMGs viz. Zr41Ti14Cu12.5Ni10Be22.5, Zr41Ti14Cu12.5Ni9Be22.5C1, Zr48Nb8Cu12Fe8Be24, (Zr0.59Ti0.06Cu0.22Ni0.1385.7Al14.3 and SiO2.TiO2 in the compression ranges of V/V0 =1.00 to V/V0 = 0.10. Six forms of equation of state reported in the literature have been used in the present study to calculate pressure corresponding to different values of compressions. The comparison of graph plotted between the logarithms of calculated value of pressure to logarithm of calculated value of compression (V/V0 reveals that the agreement of Brennan-Stacey equation of state (EOS and Poirier-Tarantolla equation of state are not good. It has been found that the assumptions, on which these equations are based, do not satisfy well in case of given BMGs.

Friction welding of bulk metallic glasses to different ones

International Nuclear Information System (INIS)

Shoji, Takuo; Kawamura, Yoshihito; Ohno, Yasuhide

2004-01-01

For application of bulk metallic glasses (BMGs) as industrial materials, it is necessary to establish the metallurgical bonding technology. The BMGs exhibit high-strain-rate superplasticity in the supercooled liquid state. It has been reported that bulk metallic glasses were successfully welded together by friction, pulse-current, explosion and electron-beam methods. In this study, friction welding of the BMGs to different ones were tried for Pd 40 Ni 40 P 20 , Pd 40 Cu 30 P 20 Ni 10 , Zr 55 Cu 30 Al 10 Ni 5 and Zr 41 Be 23 Ti 14 Cu 12 Ni 10 BMGs. Successful welding was obtained in the combinations of the Pd 40 Ni 40 P 20 and Pd 40 Cu 30 P 20 Ni 10 BMGs, and the Zr 55 Cu 30 Al 10 Ni 5 and Zr 41 Be 23 Ti 14 Cu 12 Ni 10 ones. No crystallization was observed and no visible defect was recognized in the interface. The joining strength of the welded BMGs was the same as that of the parent BMG or more. BMGs seem to be successfully welded to the different ones with a difference below about 50 K in glass transition temperature

Synthesis and devitrification of high glass-forming ability bulk metallic glasses.

OpenAIRE

Huang, Hong.

2007-01-01

In this thesis, literature on the production, microstructures and properties of bulk metallic glasses (BMG) has been reviewed with particular reference to glass forming ability (GFA) and alloys of the Fe-Zr-B and Zr-based BMG systems. The experimental procedures used in the research are presented and the results for the amorphous Fe80Zr12B8 ribbon and the Zr57Ti5Al10Cu20Ni8, Zr57Nb5Al10Cu20Ni8, Zr53Nb2Al8Cu30Ni7 BMGs are given and discussed. Wedge-shaped ingots of the Zr-based BMGs were produ...

Effect of rolling deformation on the microstructure of bulk Cu60Zr20Ti20 metallic glass and its crystallization

DEFF Research Database (Denmark)

Cao, Q.P.; Li, J.F.; Zhou, Y.H.

2006-01-01

Bulk Cu60Zr20Ti20 metallic glass has been rolled at room temperature (RT) and cryogenic temperature (CIF) up to 97% in thickness reduction, and the dependences of microstructure on the strain and temperature have been investigated. It is revealed that as the deformation proceeds below a critical...... thickness reduction, which is 87% at RT and 89% at CT, only the shear band density and the free-volume content increase, whereas the thermal stability of the deformed glass remains unchanged. Deformation above the critical thickness reduction results in phase separation plus nanocrystallization at RT...

Morphology control for highly efficient organic–inorganic bulk heterojunction solar cell based on Ti-alkoxide

International Nuclear Information System (INIS)

Kato, Takehito; Hagiwara, Naoki; Suzuki, Eiji; Nasu, Yuki; Izawa, Satoru; Tanaka, Kouichi; Kato, Ariyuki

2016-01-01

The number of publications concerned with typical bulk-heterojunction solar cells that use fullerene derivatives and inorganic materials as electron acceptors has grown very rapidly. In this work, we focus on Ti-alkoxides as electron acceptors in the photoactive layers of fullerene-free bulk-heterojunction solar cells. We show that it is possible to control the morphology by adjusting the molecular structure and size of the Ti-alkoxides. The short-circuit current density (J_s_c) increased to 191 μA/cm"2 from 25 μA/cm"2 with a maximum, when the phase-separation structure was continuously formed to within about 20 nm below the exciton diffusion length by using either titanium(IV) ethoxide or isopropoxide as an electron acceptor. Within a thickness of 30 nm, the photoactive layer is not influenced by the electron transfer ability; thus, we demonstrate that the charge-separation efficiency is equivalent to that of a fullerene system. - Highlights: • An organic–inorganic bulk-heterojunction photoactive layer was used. • Electron donor was a semiconducting polymer and electron acceptor was Ti-alkoxide. • Demonstration of morphology control by Ti-alkoxide molecules. • Determination of Jsc value by the phase-separation structure in an ultra-thin film. • Charge-separation efficiency of Ti-alkoxide system equivalent to fullerene system.

A Fundamental Approach to Developing Aluminium based Bulk Amorphous Alloys based on Stable Liquid Metal Structures and Electronic Equilibrium - 154041

Science.gov (United States)

2017-03-28

AFRL-AFOSR-JP-TR-2017-0027 A Fundamental Approach to Developing Aluminium -based Bulk Amorphous Alloys based on Stable Liquid-Metal Structures and...to 16 Dec 2016 4.  TITLE AND SUBTITLE A Fundamental Approach to Developing Aluminium -based Bulk Amorphous Alloys based on Stable Liquid-Metal...Air Force Research Laboratory for accurately predicting compositions of new amorphous alloys specifically based on aluminium with properties superior

Wear behaviour of Zr-based in situ bulk metallic glass matrix ...

Indian Academy of Sciences (India)

based bulk metallic glasses; in situ composites; ductile phase; wear behaviours. 1. Introduction ... crystalline alloys [2], which led to an abnormal phenomenon that the wear ... of BMGs does not follow the empirical Archard's wear equa- tion which ...

Wear behaviour of Zr-based in situ bulk metallic glass matrix ...

Indian Academy of Sciences (India)

based bulk metallic glass (BMG) and its in situ BMG matrix composites with diameter of 3 mm were fabricated by conventional Cu-mould casting method and ... The composites showed lower friction coefficient and wear rate than the pure BMG.

Bulk glass formation and crystallization in zirconium based bulk metallic glass forming alloys

International Nuclear Information System (INIS)

Savalia, R.T.; Neogy, S.; Dey, G.K.; Banerjee, S.

2002-01-01

The microstructures of Zr based metallic glasses produced in bulk form have been described in the as-cast condition and after crystallization. Various microscopic techniques have been used to characterize the microstructures. The microstructure in the as-cast condition was found to contain isolated crystals and crystalline aggregates embedded in the amorphous matrix. Quenched-in nuclei of crystalline phases were found to be present in fully amorphous regions. These glasses after crystallization gave rise to nanocrystalline solids. (author)

Universality of electron mobility in LaAlO3/SrTiO3 and bulk SrTiO3

Science.gov (United States)

Trier, Felix; Reich, K. V.; Christensen, Dennis Valbjørn; Zhang, Yu; Tuller, Harry L.; Chen, Yunzhong; Shklovskii, B. I.; Pryds, Nini

2017-08-01

Metallic LaAlO3/SrTiO3 (LAO/STO) interfaces attract enormous attention, but the relationship between the electron mobility and the sheet electron density, ns, is poorly understood. Here, we derive a simple expression for the three-dimensional electron density near the interface, n3 D , as a function of ns and find that the mobility for LAO/STO-based interfaces depends on n3 D in the same way as it does for bulk doped STO. It is known that undoped bulk STO is strongly compensated with N ≃5 ×1018 cm-3 background donors and acceptors. In intentionally doped bulk STO with a concentration of electrons n3 DN , the mobility collapses because scattering happens on n3 D intentionally introduced donors. For LAO/STO, the polar catastrophe which provides electrons is not supposed to provide an equal number of random donors and thus the mobility should be larger. The fact that the mobility is still the same implies that for the LAO/STO, the polar catastrophe model should be revisited.

Experimental study on the surface characteristics of Pd-based bulk metallic glass

Energy Technology Data Exchange (ETDEWEB)

Zhang, Xiang; Sun, Bingli [School of Mechanics and Engineering Science, Zhengzhou University, Zhengzhou 450001 (China); National Center for International Joint Research of Micro-nano Molding Technology, Zhengzhou University, Zhengzhou 450001 (China); Key Laboratory for Micro Molding Technology of Henan Province, Zhengzhou University, Zhengzhou, 450001 (China); Zhao, Na [National Center for International Joint Research of Micro-nano Molding Technology, Zhengzhou University, Zhengzhou 450001 (China); Key Laboratory for Micro Molding Technology of Henan Province, Zhengzhou University, Zhengzhou, 450001 (China); National Engineering Research Center for Advanced Polymer Processing Technology, Zhengzhou University, Zhengzhou 450002 (China); Li, Qian, E-mail: qianli@zzu.edu.cn [School of Mechanics and Engineering Science, Zhengzhou University, Zhengzhou 450001 (China); National Center for International Joint Research of Micro-nano Molding Technology, Zhengzhou University, Zhengzhou 450001 (China); Key Laboratory for Micro Molding Technology of Henan Province, Zhengzhou University, Zhengzhou, 450001 (China); National Engineering Research Center for Advanced Polymer Processing Technology, Zhengzhou University, Zhengzhou 450002 (China); Hou, Jianhua; Feng, Weina [School of Mechanics and Engineering Science, Zhengzhou University, Zhengzhou 450001 (China); National Center for International Joint Research of Micro-nano Molding Technology, Zhengzhou University, Zhengzhou 450001 (China); Key Laboratory for Micro Molding Technology of Henan Province, Zhengzhou University, Zhengzhou, 450001 (China)

2014-12-01

Highlights: • Wetting behavior of four polymer melts on Pd-based bulk metallic glass was investigated. • From results, in general, the contact angle of polymer on Pd-based BMG decreases with temperature increasing. • We find a critical temperature for each polymer, above this temperature, contact angle on Pd-based BMG does not decrease with temperature increasing. • Surface free energy of Pd-based BMG was estimated by Owens–Wendt method. - Abstract: The metallic glass has many unique and desirable physical and chemical characteristics for their long-range disordered atomic structure, among them the interfacial properties of the metallic glasses are crucial for their applications and manufacturing. In this work, the contact wetting angles between the polymer melts and Pd{sub 40}Cu{sub 30}Ni{sub 10}P{sub 20} bulk metallic glass (Pd-BMG) with four kinds of roughness were analyzed. Experiments show the order of four polymers wettability on Pd-BMG was PP > HDPE > COC > PC. The surface free energy of Pd-BMG was estimated by Owens–Wendt method using the contact angles of three testing liquids. Neumann method was also used to further evidence the surface free energy of Pd-BMG comparing with PTFE, mold steels NAK80 and LKM2343ESR. The results provide theoretical and technical supports for the fabrication of metallic glass micro mold and the parameter optimization of polymer micro injection molding.

A metallic metal oxide (Ti5O9)-metal oxide (TiO2) nanocomposite as the heterojunction to enhance visible-light photocatalytic activity.

Science.gov (United States)

Li, L H; Deng, Z X; Xiao, J X; Yang, G W

2015-01-26

Coupling titanium dioxide (TiO2) with other semiconductors is a popular method to extend the optical response range of TiO2 and improve its photon quantum efficiency, as coupled semiconductors can increase the separation rate of photoinduced charge carriers in photocatalysts. Differing from normal semiconductors, metallic oxides have no energy gap separating occupied and unoccupied levels, but they can excite electrons between bands to create a high carrier mobility to facilitate kinetic charge separation. Here, we propose the first metallic metal oxide-metal oxide (Ti5O9-TiO2) nanocomposite as a heterojunction for enhancing the visible-light photocatalytic activity of TiO2 nanoparticles and we demonstrate that this hybridized TiO2-Ti5O9 nanostructure possesses an excellent visible-light photocatalytic performance in the process of photodegrading dyes. The TiO2-Ti5O9 nanocomposites are synthesized in one step using laser ablation in liquid under ambient conditions. The as-synthesized nanocomposites show strong visible-light absorption in the range of 300-800 nm and high visible-light photocatalytic activity in the oxidation of rhodamine B. They also exhibit excellent cycling stability in the photodegrading process. A working mechanism for the metallic metal oxide-metal oxide nanocomposite in the visible-light photocatalytic process is proposed based on first-principle calculations of Ti5O9. This study suggests that metallic metal oxides can be regarded as partners for metal oxide photocatalysts in the construction of heterojunctions to improve photocatalytic activity.

Non-repeatability of large plasticity for Fe-based bulk metallic glasses

Energy Technology Data Exchange (ETDEWEB)

Yang, Weiming [State Key Laboratory for Geomechanics and Deep Underground Engineering, School of Mechanics and Civil Engineering, School of Sciences, China University of Mining and Technology, Xuzhou 221116 (China); Sun, Baoan [Department of Mechanical and Biomedical Engineering, City University of Hong Kong (Hong Kong); Zhao, Yucheng, E-mail: zhaoyc1972@163.com [State Key Laboratory for Geomechanics and Deep Underground Engineering, School of Mechanics and Civil Engineering, School of Sciences, China University of Mining and Technology, Xuzhou 221116 (China); Li, Qiang [School of Physics Science and Technology, Xinjiang University, Urumqi, Xinjiang 830046 (China); Hou, Long; Luo, Ning [State Key Laboratory for Geomechanics and Deep Underground Engineering, School of Mechanics and Civil Engineering, School of Sciences, China University of Mining and Technology, Xuzhou 221116 (China); Dun, Chaochao [Department of Physics, Wake Forest University, Winston Salem, NC 27109 (United States); Zhao, Chengliang [Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Materials Technology & Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); Ma, Zhanguo [State Key Laboratory for Geomechanics and Deep Underground Engineering, School of Mechanics and Civil Engineering, School of Sciences, China University of Mining and Technology, Xuzhou 221116 (China); Liu, Haishun, E-mail: liuhaishun@126.com [State Key Laboratory for Geomechanics and Deep Underground Engineering, School of Mechanics and Civil Engineering, School of Sciences, China University of Mining and Technology, Xuzhou 221116 (China); Shen, Baolong [School of Materials Science and Engineering, Southeast University, Nanjing 211189 (China)

2016-08-15

Serrated flow is an essential characteristic of the plastic deformation of metallic glasses. Under restricted loading conditions, the formation and expansion of shear bands act as the serrated flow of stress-strain curves in metallic glasses. In this work, serrated flows in Fe{sub 50}Ni{sub 30}P{sub 13}C{sub 7} glassy samples with different plasticity were studied. The distribution histogram shows a monotonically decreasing trend during the initial deformation stage (i.e., the plastic deformation in the range of 0–8%), whereas in the following deformation stage (i.e., a plastic deformation of 8–14%), the stress drop frequency distribution presents both a monotonically decreasing distribution and a peak shape similar to chaotic dynamics. It is shown that the spatial evolution behavior of shear bands in Fe{sub 50}Ni{sub 30}P{sub 13}C{sub 7} metallic glasses evolved from self-organized critical to chaotic dynamics in the form of serrated flow, which reveals the origin of discrete plasticity of Fe-based bulk metallic glasses. This study has potential applications for understanding the plastic deformation mechanism. - Highlights: • Two-stage deformation mechanism in Fe-based bulk metallic glasses. • Distribution of the stress drop amplitude is significantly different at two stages. • The stages are related to multiple shear bands and discrete plasticity.

Non-repeatability of large plasticity for Fe-based bulk metallic glasses

International Nuclear Information System (INIS)

Yang, Weiming; Sun, Baoan; Zhao, Yucheng; Li, Qiang; Hou, Long; Luo, Ning; Dun, Chaochao; Zhao, Chengliang; Ma, Zhanguo; Liu, Haishun; Shen, Baolong

2016-01-01

Serrated flow is an essential characteristic of the plastic deformation of metallic glasses. Under restricted loading conditions, the formation and expansion of shear bands act as the serrated flow of stress-strain curves in metallic glasses. In this work, serrated flows in Fe_5_0Ni_3_0P_1_3C_7 glassy samples with different plasticity were studied. The distribution histogram shows a monotonically decreasing trend during the initial deformation stage (i.e., the plastic deformation in the range of 0–8%), whereas in the following deformation stage (i.e., a plastic deformation of 8–14%), the stress drop frequency distribution presents both a monotonically decreasing distribution and a peak shape similar to chaotic dynamics. It is shown that the spatial evolution behavior of shear bands in Fe_5_0Ni_3_0P_1_3C_7 metallic glasses evolved from self-organized critical to chaotic dynamics in the form of serrated flow, which reveals the origin of discrete plasticity of Fe-based bulk metallic glasses. This study has potential applications for understanding the plastic deformation mechanism. - Highlights: • Two-stage deformation mechanism in Fe-based bulk metallic glasses. • Distribution of the stress drop amplitude is significantly different at two stages. • The stages are related to multiple shear bands and discrete plasticity.

Chemical ordering around open-volume regions in bulk metallic glass Zr52.5Ti5Al10Cu17.9Ni14.6

International Nuclear Information System (INIS)

Asoka-Kumar, P.; Hartley, J.; Howell, R.; Sterne, P. A.; Nieh, T. G.

2000-01-01

We provide direct experimental evidence for a nonrandom distribution of atomic constituents in Zr 52.5 Ti 5 Al 10 Cu 17.9 Ni 14.6 bulk metallic glass using positron annihilation spectroscopy. The Ti content around the open-volume regions is significantly enhanced at the expense of Ni and Cu. Our results indicate that Ni and Cu atoms closely occupy the volume bounded by their neighboring atoms while Al, Ti, and Zr are less closely packed, and more likely to be associated with the open-volume regions. The overall distribution of elements seen by the positron is not significantly altered by annealing or by crystallization. Theoretical calculations indicate that the observed elemental distribution is not consistent with the known crystalline phases Zr 2 Cu and NiZr 2 , while Al 3 Zr 4 shows some of the characteristics seen in the experiment. (c) 2000 American Institute of Physics

Preparation and characterization of Zr-based bulk metallic glasses in form of plate

International Nuclear Information System (INIS)

Pilarczyk, Wirginia

2014-01-01

Highlights: • Zr-based BMGs in form of plate was successful produced by die pressure casting method. • Many techniques have been used to characterize the structure of Zr 55 Cu 30 Ni 5 Al 10 alloy. • The calculated GFA parameters show that the alloy exhibits satisfactory GFA. • The studies reveal that tested as-cast Zr-based alloy is in amorphous state. - Abstract: Zr-based bulk metallic glasses present an interesting combination of physical, chemical and mechanical properties. During the last decade, intensive progress has been made and a number of applications have been suggested for these materials. In order to successfully apply these materials, it is necessary to accurately characterize their structure, thermal stability and other properties accurately. The aim of the presented work is the manufacturing, examination of the structure of selected Zr-based bulk metallic alloys and confirmation of an amorphous structure using X-ray analysis, microscopic observation and thermal analysis. In this work, the Zr-based bulk metallic glasses in form of plate was successful produced by die pressure casting method. Designed scientific station for casting zirconium based amorphous alloys in the form of plates and rods with selected dimensions is in our university a comprehensive method for achieving amorphous materials which enables us to maintain repeatability of as-cast samples with the amorphous structure and the assumed dimensions range. The diffraction pattern and exothermic reaction as well as the fracture surface morphology reveal that studied as-cast Zr-based alloy is in amorphous state. The calculated GFA parameters show that the alloy exhibits satisfactory glass-forming ability in form of studied plate. These obtained values can suggest that studied alloys are suitable materials for further planned practical application at welding process. The success of Zr-based bulk metallic glasses production in form of plate with obtained sizes is important for future

Preparation and characterization of Zr-based bulk metallic glasses in form of plate

Energy Technology Data Exchange (ETDEWEB)

Pilarczyk, Wirginia, E-mail: wirginia.pilarczyk@polsl.pl

2014-12-05

Highlights: • Zr-based BMGs in form of plate was successful produced by die pressure casting method. • Many techniques have been used to characterize the structure of Zr{sub 55}Cu{sub 30}Ni{sub 5}Al{sub 10} alloy. • The calculated GFA parameters show that the alloy exhibits satisfactory GFA. • The studies reveal that tested as-cast Zr-based alloy is in amorphous state. - Abstract: Zr-based bulk metallic glasses present an interesting combination of physical, chemical and mechanical properties. During the last decade, intensive progress has been made and a number of applications have been suggested for these materials. In order to successfully apply these materials, it is necessary to accurately characterize their structure, thermal stability and other properties accurately. The aim of the presented work is the manufacturing, examination of the structure of selected Zr-based bulk metallic alloys and confirmation of an amorphous structure using X-ray analysis, microscopic observation and thermal analysis. In this work, the Zr-based bulk metallic glasses in form of plate was successful produced by die pressure casting method. Designed scientific station for casting zirconium based amorphous alloys in the form of plates and rods with selected dimensions is in our university a comprehensive method for achieving amorphous materials which enables us to maintain repeatability of as-cast samples with the amorphous structure and the assumed dimensions range. The diffraction pattern and exothermic reaction as well as the fracture surface morphology reveal that studied as-cast Zr-based alloy is in amorphous state. The calculated GFA parameters show that the alloy exhibits satisfactory glass-forming ability in form of studied plate. These obtained values can suggest that studied alloys are suitable materials for further planned practical application at welding process. The success of Zr-based bulk metallic glasses production in form of plate with obtained sizes is

The Effect of Thermal Cycling Treatments on the Thermal Stability and Mechanical Properties of a Ti-Based Bulk Metallic Glass Composite

Directory of Open Access Journals (Sweden)

Fan Bu

2016-11-01

Full Text Available The effect of thermal cycling treatments on the thermal stability and mechanical properties of a Ti48Zr20Nb12Cu5Be15 bulk metallic glass composite (BMGC has been investigated. Results show that moderate thermal cycles in a temperature range of −196 °C (cryogenic temperature, CT to 25 °C (room temperature, RT or annealing time at CT has not induced obvious changes of thermal stability and then it decreases slightly over critical thermal parameters. In addition, the dendritic second phases with a bcc structure are homogeneously embedded in the amorphous matrix; no visible changes are detected, which shows structural stability. Excellent mechanical properties as high as 1599 MPa yield strength and 34% plastic strain are obtained, and the yield strength and elastic modulus also increase gradually. The effect on the stability is analyzed quantitatively by crystallization kinetics and plastic-flow models, and indicates that the reduction of structural relaxation enthalpy, which is related to the degradation of spatial heterogeneity, reduces thermal stability but does not imperatively deteriorate the plasticity.

Toxicity of nanoparticulate and bulk ZnO, Al2O3 and TiO2 to the nematode Caenorhabditis elegans

International Nuclear Information System (INIS)

Wang Huanhua; Wick, Robert L.; Xing Baoshan

2009-01-01

Limited information is available on the environmental behavior and associated potential risk of manufactured oxide nanoparticles (NPs). In this research, toxicity of nanoparticulate and bulk ZnO, Al 2 O 3 and TiO 2 were examined to the nematode Caenorhabditis elegans with Escherichia coli as a food source. Parallel experiments with dissolved metal ions from NPs were also conducted. The 24-h median lethal concentration (LC 50 ) and sublethal endpoints were assessed. Both NPs and their bulk counterparts were toxic, inhibiting growth and especially the reproductive capability of the nematode. The 24-h LC 50 for ZnO NPs (2.3 mg L -1 ) and bulk ZnO was not significantly different, but significantly different between Al 2 O 3 NPs (82 mg L -1 ) and bulk Al 2 O 3 (153 mg L -1 ), and between TiO 2 NPs (80 mg L -1 ) and bulk TiO 2 (136 mg L -1 ). Oxide solubility influenced the toxicity of ZnO and Al 2 O 3 NPs, but nanoparticle-dependent toxicity was indeed observed for the investigated NPs. - ZnO, Al 2 O 3 and TiO 2 nanoparticles are more toxic than their bulk counterparts to the nematode, Caenorhabditis elegans

Biocompatible Ni-free Zr-based bulk metallic glasses with high-Zr-content: compositional optimization for potential biomedical applications.

Science.gov (United States)

Hua, Nengbin; Huang, Lu; Chen, Wenzhe; He, Wei; Zhang, Tao

2014-11-01

The present study designs and prepares Ni-free Zr60+xTi2.5Al10Fe12.5-xCu10Ag5 (at.%, x=0, 2.5, 5) bulk metallic glasses (BMGs) by copper mold casting for potential biomedical application. The effects of Zr content on the in vitro biocompatibility of the Zr-based BMGs are evaluated by investigating mechanical properties, bio-corrosion behavior, and cellular responses. It is found that increasing the content of Zr is favorable for the mechanical compatibility with a combination of low Young's modulus, large plasticity, and high notch toughness. Electrochemical measurements demonstrate that the Zr-based BMGs are corrosion resistant in a phosphate buffered saline solution. The bio-corrosion resistance of BMGs is improved with the increase in Zr content, which is attributed to the enrichment in Zr and decrease in Al concentration in the surface passive film of alloys. Regular cell responses of mouse MC3T3-E1 cells, including cell adhesion and proliferation, are observed on the Zr-Ti-Al-Fe-Cu-Ag BMGs, which reveals their general biosafety. The high-Zr-based BMGs exhibit a higher cell proliferation activity in comparison with that of pure Zr and Ti-6Al-4V alloy. The effects of Zr content on the in vitro biocompatibility can be used to guide the future design of biocompatible Zr-based BMGs. Copyright © 2014 Elsevier B.V. All rights reserved.

Bulk glass formation and crystallization in Zr54.5Cu20Al10Ni8Ti7.5 alloy

International Nuclear Information System (INIS)

Neogy, S.; Tewari, R.; Srivastava, D.; Dey, G.K.; Kumar, V.; Ranganathan, S.

2006-01-01

The present work was aimed at fabrication, characterization and crystallization of Zr 54.5 Cu 20 Al 10 Ni 8 Ti 7.5 bulk metallic glass. The glass forming alloy was made by arc melting and then subjected to copper mold casting into 3 mm diameter bulk glass rods. The as-cast microstructure was characterized by optical microscopy and transmission electron microscopy (TEM)

Bulk metallic glass matrix composites

International Nuclear Information System (INIS)

Choi-Yim, H.; Johnson, W.L.

1997-01-01

Composites with a bulk metallic glass matrix were synthesized and characterized. This was made possible by the recent development of bulk metallic glasses that exhibit high resistance to crystallization in the undercooled liquid state. In this letter, experimental methods for processing metallic glass composites are introduced. Three different bulk metallic glass forming alloys were used as the matrix materials. Both ceramics and metals were introduced as reinforcement into the metallic glass. The metallic glass matrix remained amorphous after adding up to a 30 vol% fraction of particles or short wires. X-ray diffraction patterns of the composites show only peaks from the second phase particles superimposed on the broad diffuse maxima from the amorphous phase. Optical micrographs reveal uniformly distributed particles in the matrix. The glass transition of the amorphous matrix and the crystallization behavior of the composites were studied by calorimetric methods. copyright 1997 American Institute of Physics

Systems and Methods for Implementing Bulk Metallic Glass-Based Strain Wave Gears and Strain Wave Gear Components

Science.gov (United States)

Hofmann, Douglas C. (Inventor); Wilcox, Brian (Inventor)

2016-01-01

Bulk metallic glass-based strain wave gears and strain wave gear components. In one embodiment, a strain wave gear includes: a wave generator; a flexspline that itself includes a first set of gear teeth; and a circular spline that itself includes a second set of gear teeth; where at least one of the wave generator, the flexspline, and the circular spline, includes a bulk metallic glass-based material.

Formation and properties of two-phase bulk metallic glasses by spark plasma sintering

Energy Technology Data Exchange (ETDEWEB)

Xie Guoqiang, E-mail: xiegq@imr.tohoku.ac.jp [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Louzguine-Luzgin, D.V. [WPI Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Inoue, Akihisa [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); WPI Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan)

2011-06-15

Research highlights: > Two-phase bulk metallic glasses with high strength and good soft magnetic properties as well as satisfying large-size requirements were produced by spark plasma sintering. > Effects of sintering temperature on thermal stability, microstructure, mechanical and magnetic properties were investigated. > Densified samples were obtained by the spark plasma sintering at above 773 K. - Abstract: Using a mixture of the gas-atomized Ni{sub 52.5}Nb{sub 10}Zr{sub 15}Ti{sub 15}Pt{sub 7.5} and Fe{sub 73}Si{sub 7}B{sub 17}Nb{sub 3} glassy alloy powders, we produced the two-phase bulk metallic glass (BMG) with high strength and good soft magnetic properties as well as satisfying large-size requirements by the spark plasma sintering (SPS) process. Two kinds of glassy particulates were homogeneously dispersed each other. With an increase in sintering temperature, density of the produced samples increased, and densified samples were obtained by the SPS process at above 773 K. Good bonding state among the Ni- and Fe-based glassy particulates was achieved.

In-situ ductile metal/bulk metallic glass matrix composites formed by chemical partitioning

Science.gov (United States)

Kim, Choong Paul; Hays, Charles C.; Johnson, William L.

2004-03-23

A composite metal object comprises ductile crystalline metal particles in an amorphous metal matrix. An alloy is heated above its liquidus temperature. Upon cooling from the high temperature melt, the alloy chemically partitions, forming dendrites in the melt. Upon cooling the remaining liquid below the glass transition temperature it freezes to the amorphous state, producing a two-phase microstructure containing crystalline particles in an amorphous metal matrix. The ductile metal particles have a size in the range of from 0.1 to 15 micrometers and spacing in the range of from 0.1 to 20 micrometers. Preferably, the particle size is in the range of from 0.5 to 8 micrometers and spacing is in the range of from 1 to 10 micrometers. The volume proportion of particles is in the range of from 5 to 50% and preferably 15 to 35%. Differential cooling can produce oriented dendrites of ductile metal phase in an amorphous matrix. Examples are given in the Zr--Ti--Cu--Ni--Be alloy bulk glass forming system with added niobium.

Microstructures and tribological properties of laser cladded Ti-based metallic glass composite coatings

International Nuclear Information System (INIS)

Lan, Xiaodong; Wu, Hong; Liu, Yong; Zhang, Weidong; Li, Ruidi; Chen, Shiqi; Zai, Xiongfei; Hu, Te

2016-01-01

Metallic glass composite coatings Ti 45 Cu 41 Ni 9 Zr 5 and Ti 45 Cu 41 Ni 6 Zr 5 Sn 3 (at.%) on a Ti-30Nb-5Ta-7Zr (wt.%) (TNTZ) alloy were prepared by laser cladding. The microstructures of the coatings were characterized by means of X-ray diffractometry (XRD), scanning electron microscopy (SEM) equipped with energy dispersive X-ray analyzer (EDXA), and transmission electron microscopy (TEM). Results indicated that the coatings have an amorphous structure embedded with a few nanocrystalline phases and dendrites. A partial substitution of Ni by Sn can improve the glass forming ability of Ti-base metallic glass system, and induce the formation of nano-sized Ni 2 SnTi phase during the cyclic laser heating. The tribological behavior of both the substrate and the coatings was investigated in detail. A significant improvement in both the hardness and the wear resistance of the coatings was achieved with the addition of Sn. The relationship between the wear resistance and the microstructures of the coatings was discussed. - Highlights: •Ti-based metallic glass composite coatings were prepared by laser cladding. •The wear resistance is greatly improved by laser cladding of composite coatings. •Substitution of Ni by Sn increases GFA and wear resistance of the coatings. •A good balance of crystalline/amorphous phases improves the wear resistance. •Adhesive wear serves as the dominant wear mechanism of the composite coatings.

Direct band gap electroluminescence from bulk germanium at room temperature using an asymmetric fin type metal/germanium/metal structure

Energy Technology Data Exchange (ETDEWEB)

Wang, Dong, E-mail: wang.dong.539@m.kyushu-u.ac.jp; Maekura, Takayuki; Kamezawa, Sho [Interdisciplinary Graduate School of Engineering Sciences, Kyushu University, 6-1 Kasuga-koen, Kasuga, Fukuoka 816-8580 (Japan); Yamamoto, Keisuke; Nakashima, Hiroshi [Art, Science and Technology Center for Cooperative Research, Kyushu University, 6-1 Kasuga-koen, Kasuga, Fukuoka 816-8580 (Japan)

2015-02-16

We demonstrated direct band gap (DBG) electroluminescence (EL) at room temperature from n-type bulk germanium (Ge) using a fin type asymmetric lateral metal/Ge/metal structure with TiN/Ge and HfGe/Ge contacts, which was fabricated using a low temperature (<400 °C) process. Small electron and hole barrier heights were obtained for TiN/Ge and HfGe/Ge contacts, respectively. DBG EL spectrum peaked at 1.55 μm was clearly observed even at a small current density of 2.2 μA/μm. Superlinear increase in EL intensity was also observed with increasing current density, due to superlinear increase in population of elections in direct conduction band. The efficiency of hole injection was also clarified.

Development of Low Density CaMg-A1-Based Bulk Metallic Glasses (Preprint)

National Research Council Canada - National Science Library

Senkov, O. N; Scott, J. M; Miracle, D. B

2006-01-01

Low density Ca-Mg-Al-based bulk metallic glasses containing additionally Cu and Zn, were produced by a copper mold casting method as wedge-shaped samples with thicknesses varying from 0.5 mm to 10 rom...

A multi-component Zr alloy with comparable strength and Higher plasticity than Zr-based bulk metallic glasses

International Nuclear Information System (INIS)

Liang, S.X.; Yin, L.X.; Ma, M.Z.; Jing, R.; Yu, P.F.; Zhang, Y.F.; Wang, B.A.; Liu, R.P.

2013-01-01

Zirconium (Zr)-based bulk metallic glass possesses the highest potential as a structural material among metallic glasses. Although Zr-based bulk metallic glass exhibits extremely high strength, its potential application has been restricted by a number of issues, such as fragility, small size, difficult fabrication into different shapes and poisonous beryllium content, among others. In this paper, a Zr-based crystal alloy with comparable strength and higher plasticity than Zr-based bulk metallic glass is presented. The proposed Zr-based alloy has a tensile strength greater than 1600 MPa. That value is comparable to the 1500 MPa to 2000 MPa strength of Zr-based bulk metallic glasses (BMGs). The ductility in terms of elongation reached 6.2%; at the same time, the 1400 MPa tensile strength was retained. This phenomenon is not possible for Zr-based BMGs. XRD results show that the proposed ultrahigh-strength Zr-based crystal alloy has two-phase structures: an hcp-structured α phase and a bcc-structured β phase. The forged specimen exhibits a typical basket-weave microstructure, which is characterised by the interlaced plate α phase separated from the β phase matrix. Fine, short bar-shaped α phases precipitated along the original β grain boundary together with ultrafine dot-shaped α phases that presented inside the original β grain when the ageing temperature was between 500 °C and 525 °C. As the ageing temperature increased, the dot-shaped α phase grew into plate shapes, decreasing the material's strength and increasing its plasticity. The ultrafine dot-shaped and short bar-shaped α phases in the original β phase matrix are the main strengthening mechanisms of the ultrahigh-strength Zr-based crystal alloy.

Ignition and combustion of bulk metals under elevated, normal and reduced gravity conditions

Science.gov (United States)

Abbud-Madrid, Angel; Branch, Melvyn C.; Daily, John W.

1995-01-01

This research effort is aimed at providing further insight into this multi-variable dependent phenomena by looking at the effects of gravity on the ignition and combustion behavior of metals. Since spacecraft are subjected to higher-than-1g gravity loads during launch and reentry and to zero-gravity environments while in orbit, the study of ignition and combustion of bulk metals at different gravitational potentials is of great practical concern. From the scientific standpoint, studies conducted under microgravity conditions provide simplified boundary conditions since buoyancy is removed, and make possible the identification of fundamental ignition mechanisms. The effect of microgravity on the combustion of bulk metals has been investigated by Steinberg, et al. on a drop tower simulator. However, no detailed quantitative work has been done on ignition phenomena of bulk metals at lower or higher-than-normal gravitational fields or on the combustion characteristics of metals at elevated gravity. The primary objective of this investigation is the development of an experimental system capable of providing fundamental physical and chemical information on the ignition of bulk metals under different gravity levels. The metals used in the study, iron (Fe), titanium (Ti), zirconium (Zr), magnesium (Mg), zinc (Zn), and copper (Cu) were selected because of their importance as elements of structural metals and their simple chemical composition (pure metals instead of multi-component alloys to avoid complication in morphology and spectroscopic studies). These samples were also chosen to study the two different combustion modes experienced by metals: heterogeneous or surface oxidation, and homogeneous or gas-phase reaction. The experimental approach provides surface temperature profiles, spectroscopic measurements, surface morphology, x-ray spectrometry of metals specimens and their combustion products, and high-speed cinematography of the heating, ignition and combustion

Impact of nano and bulk ZrO2, TiO2 particles on soil nutrient contents and PGPR.

Science.gov (United States)

Karunakaran, Gopalu; Suriyaprabha, Rangaraj; Manivasakan, Palanisamy; Yuvakkumar, Rathinam; Rajendran, Venkatachalam; Kannan, Narayanasamy

2013-01-01

Currently, nanometal oxides are used extensively in different industries such as medicine, cosmetics and food. The increased consumption of nanoparticles (NPs) leads the necessity to understand the fate of the nanoparticles in the environment. The present study focused on the ecotoxicological behaviour of bulk and nano ZrO2 (Zirconia) and TiO2 (Titania) particles on PGPR (plant growth promoting rhizobacteria), soil and its nutrient contents. The microbial susceptibility study showed that nano TiO2 had 13 +/- 0.9 mm (B. megaterium), 15 +/- 0.2 mm (P. fluorescens), 16 +/- 0.2 mm (A. vinelandii) and 12 +/- 0.3 mm (B. brevis) zones of inhibition. However, nano and bulk ZrO2 particles were non-toxic to PGPR. In addition, it was found that toxicity varied depends on the medium of reaction. The soil study showed that nano TiO2 was found to be highly toxic, whereas bulk TiO2 was less toxic towards soil bacterial populations at 1000 mg L(-1). In contrast, nano and bulk ZrO2 were found to be inert at 1000 mg L(-1). The observed zeta potential and hydrophobicity of TiO2 particles causes more toxic than ZrO2 in parallel with particle size. However, nano TiO2 decreases the microbial population as well as nutrient level of the soil but not zirconia. Our finding shows that the mechanism of toxicity depends on size, hydrophobic potential and zeta potential of the metal oxide particles. Thus, it is necessary to take safety measures during the disposal and use of such toxic nanoparticles in the soil to prevent their hazardous effects.

Microstructures and tribological properties of laser cladded Ti-based metallic glass composite coatings

Energy Technology Data Exchange (ETDEWEB)

Lan, Xiaodong; Wu, Hong, E-mail: wuhong927@126.com; Liu, Yong, E-mail: yonliu@csu.edu.cn; Zhang, Weidong; Li, Ruidi; Chen, Shiqi; Zai, Xiongfei; Hu, Te

2016-10-15

Metallic glass composite coatings Ti{sub 45}Cu{sub 41}Ni{sub 9}Zr{sub 5} and Ti{sub 45}Cu{sub 41}Ni{sub 6}Zr{sub 5}Sn{sub 3} (at.%) on a Ti-30Nb-5Ta-7Zr (wt.%) (TNTZ) alloy were prepared by laser cladding. The microstructures of the coatings were characterized by means of X-ray diffractometry (XRD), scanning electron microscopy (SEM) equipped with energy dispersive X-ray analyzer (EDXA), and transmission electron microscopy (TEM). Results indicated that the coatings have an amorphous structure embedded with a few nanocrystalline phases and dendrites. A partial substitution of Ni by Sn can improve the glass forming ability of Ti-base metallic glass system, and induce the formation of nano-sized Ni{sub 2}SnTi phase during the cyclic laser heating. The tribological behavior of both the substrate and the coatings was investigated in detail. A significant improvement in both the hardness and the wear resistance of the coatings was achieved with the addition of Sn. The relationship between the wear resistance and the microstructures of the coatings was discussed. - Highlights: •Ti-based metallic glass composite coatings were prepared by laser cladding. •The wear resistance is greatly improved by laser cladding of composite coatings. •Substitution of Ni by Sn increases GFA and wear resistance of the coatings. •A good balance of crystalline/amorphous phases improves the wear resistance. •Adhesive wear serves as the dominant wear mechanism of the composite coatings.

Effect of oxygen on tuning the TiNx metal gate work function on LaLuO3

International Nuclear Information System (INIS)

Mitrovic, I.Z.; Przewlocki, H.M.; Piskorski, K.; Simutis, G.; Dhanak, V.R.; Sedghi, N.; Hall, S.

2012-01-01

This paper presents experimental evidence on effective work function tuning due to the presence of oxygen at the TiNx/LaLuO 3 interface. Two complementary techniques, internal photoemission and X-ray photoelectron spectroscopy, show good agreement on the position of the metal gate Fermi level to conduction (2.79 ± 0.25 eV) and valence (2.65 ± 0.08 eV) band edge for TiNx/bulk LaLuO 3 gate stacks. The chemical shifts of Ti2p and N1s core levels and different degree in ionicity of TiNx metal gates correlate with the observed valence band offset shifts. The results have significance for setting the band edge work function and resulting low threshold voltage for ultimately scaled LaLuO 3 -based p-metal oxide semiconductor field effect transistor devices. - Highlights: ► The conduction band offset measured by internal photoemission. ► The valence band offset (VBO) measured by X-ray photoelectron spectroscopy. ► Different degree in ionicity of TiNx correlates with the VBO shifts. ► The effective work function of the gate stacks varies from 4.6 to 5.2 eV. ► Oxygen at the TiNx/LaLuO 3 interface increases effective work function.

A new method for evaluating structural stability of bulk metallic glasses

Energy Technology Data Exchange (ETDEWEB)

Zhao, Lei; Jia, Haoling [Key Laboratory of Aerospace Materials and Performance, Ministry of Education, School of Materials Science and Engineering, Beihang University, Beijing 100191 (China); Xie, Shenghui; Zeng, Xierong [College of Materials Science and Engineering, Shenzhen University and Shenzhen Key Laboratory of Special Functional Materials, ShenZhen 518060 (China); Zhang, Tao [Key Laboratory of Aerospace Materials and Performance, Ministry of Education, School of Materials Science and Engineering, Beihang University, Beijing 100191 (China); Ma, Chaoli, E-mail: machaoli@buaa.edu.c [Key Laboratory of Aerospace Materials and Performance, Ministry of Education, School of Materials Science and Engineering, Beihang University, Beijing 100191 (China)

2010-08-15

This paper proposed a new method for evaluating the structural stability of bulk metallic glasses (BMGs) based on dilatometric measurements. During heating in the dilatometric experiments, the BMGs expanded continuously with increasing temperature. When the temperature reached the glass transition temperature (T{sub g}), viscous shrinkage occurred due to the viscosity of material becoming lower. Since the inhomogeneous nature of the metallic glasses at atomic level, the processes of rigid expansion and the viscous shrinkage co-exist in a certain temperature region. The expansion stopped completely at a temperature (named T{sub p} here) beyond T{sub g}. The values of the temperature region, {Delta}T{sub gp} = T{sub p} - T{sub g}, and the corresponding time interval ({Delta}t{sub gp}) and the activation energy (E{sub p}) corresponding to the expansion processes, are the reflection of the structural stability of BMGs. Investigating the co-existing processes kinetically and thermodynamically, we can make an insight into the structural stability of metallic glasses. Based on this idea, the thermal expansion behaviors of Mg-, Pd-, Zr-, Ti- and Fe-based BMG were studied, and their structural stability was evaluated by the parameters of {Delta}T{sub gp}, {Delta}t{sub gp} and E{sub p}.

Photocatalysis with chromium-doped TiO2: Bulk and surface doping

KAUST Repository

Ould-Chikh, Samy

2014-04-15

The photocatalytic properties of TiO2 modified by chromium are usually found to depend strongly on the preparation method. To clarify this problem, two series of chromium-doped titania with a chromium content of up to 1.56 wt % have been prepared under hydrothermal conditions: the first series (Cr:TiO2) is intended to dope the bulk of TiO2, whereas the second series (Cr/TiO2) is intended to load the surface of TiO2 with Cr. The catalytic properties have been compared in the photocatalytic oxidation of formic acid. Characterization data provides evidence that in the Cr/TiO2 catalysts chromium is located on the surface of TiO2 as amorphous CrOOH clusters. In contrast, in the Cr:TiO 2 series, chromium is mostly dissolved in the titania lattice, although a minor part is still present on the surface. Photocatalytic tests show that both series of chromium-doped titania demonstrate visible-light-driven photo-oxidation activity. Surface-doped Cr/TiO2 solids appear to be more efficient photocatalysts than the bulk-doped Cr:TiO2 counterparts. It\\'s classified! The photocatalytic properties of TiO2 modified by chromium depend strongly on the preparation method. To clarify this problem, two types of modified titania are discussed: one with CrIII doped in the bulk and one with CrOOH clusters on the TiO2 surface (see picture). Both series show visible-light-driven photo-oxidation activity. However, surface modification appears to be a more efficient strategy. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Oxidation behaviour of Zr-based bulk metallic glasses

International Nuclear Information System (INIS)

Wang, Bin

2011-01-01

The Zr-based bulk metallic glasses, developed since the late 1980's, have very interesting mechanical properties, which can be considered for many applications including working under oxidizing atmosphere conditions at high temperatures. It is therefore interesting to study their oxidation resistance and to characterize the oxide scale formed on alloys surface. The fundamental objective of this thesis is to enhance the understanding of the role of various thermodynamic and chemistry parameters on the oxidation behaviour of the Zr-based bulk metallic glasses at high temperature under dry air, to determine the residual stresses in the oxide layer, in comparison with their crystalline alloys with the same chemical composition after an annealing treatment. The oxidation kinetics of these glasses and the crystalline structure of oxide scale ZrO 2 depend on the temperature and the oxidation duration: for short periods of oxidation or at a temperature below Tg, the kinetics follows a parabolic law, whereas, if the sample is oxidized at T ≥ Tg, the kinetics can be divided into two parts. The crystalline counterparts are oxidized by a parabolic rule whatever the temperature; for long oxidation duration at a temperature close to Tg, the kinetics becomes more complex because of the crystallisation of the glasses during the oxidation tests. Also the crystalline structure of the oxide layers depends on the oxidation temperature: the oxide layer consists only in tetragonal Zirconia at T ≤ Tg, while monoclinic Zirconia was formed at higher temperature. The mechanism of the formation of the oxide scale is due to both the interior diffusion of Oxygen ions and the external diffusion of Zirconium ions. However the diffusion of Zirconium ions slows gradually during the crystallisation process of the glass matrix. When the crystallisation is completed, the formation of Zirconia is controlled by only the internal diffusion of oxygen ions. The corresponding residual stresses

Understanding the effect of surface/bulk defects on the photocatalytic activity of TiO2: anatase versus rutile.

Science.gov (United States)

Yan, Junqing; Wu, Guangjun; Guan, Naijia; Li, Landong; Li, Zhuoxin; Cao, Xingzhong

2013-07-14

The sole effect of surface/bulk defects of TiO2 samples on their photocatalytic activity was investigated. Nano-sized anatase and rutile TiO2 were prepared by hydrothermal method and their surface/bulk defects were adjusted simply by calcination at different temperatures, i.e. 400-700 °C. High temperature calcinations induced the growth of crystalline sizes and a decrease in the surface areas, while the crystalline phase and the exposed facets were kept unchanged during calcination, as indicated by the characterization results from XRD, Raman, nitrogen adsorption-desorption, TEM and UV-Vis spectra. The existence of surface/bulk defects in calcined TiO2 samples was confirmed by photoluminescence and XPS spectra, and the surface/bulk defect ratio was quantitatively analyzed according to positron annihilation results. The photocatalytic activity of calcined TiO2 samples was evaluated in the photocatalytic reforming of methanol and the photocatalytic oxidation of α-phenethyl alcohol. Based on the characterization and catalytic results, a direct correlation between the surface specific photocatalytic activity and the surface/bulk defect density ratio could be drawn for both anatase TiO2 and rutile TiO2. The surface defects of TiO2, i.e. oxygen vacancy clusters, could promote the separation of electron-hole pairs under irradiation, and therefore, enhance the activity during photocatalytic reaction.

Dynamic strength behavior of a Zr-based bulk metallic glass under shock loading

International Nuclear Information System (INIS)

Yu Yu-Ying; Xi Feng; Dai Cheng-Da; Cai Ling-Cang; Tan Ye; Li Xue-Mei; Wu Qiang; Tan Hua

2015-01-01

Dynamic strength behavior of Zr 51 Ti 5 Ni 10 Cu 25 Al 9 bulk metallic glass (BMG) up to 66 GPa was investigated in a series of plate impact shock-release and shock-reload experiments. Particle velocity profiles measured at the sample/LiF window interface were used to estimate the shear stress, shear modulus, and yield stress in shocked BMG. Beyond confirming the previously reported strain-softening of shear stress during the shock loading process for BMGs, it is also shown that the softened Zr-BMG still has a high shear modulus and can support large yield stress when released or reloaded from the shocked state, and both the shear modulus and the yield stress appear as strain-hardening behaviors. The work provides a much clearer picture of the strength behavior of BMGs under shock loading, which is useful to comprehensively understand the plastic deformation mechanisms of BMGs. (paper)

Superductile bulk metallic glass

International Nuclear Information System (INIS)

Yao, K.F.; Ruan, F.; Yang, Y.Q.; Chen, N.

2006-01-01

Usually, monolithic bulk metallic glasses undergo inhomogeneous plastic deformation and exhibit poor ductility (<2%) at room temperature. We report a newly developed Pd-Si binary bulk metallic glass, which exhibits a uniform plastic deformation and a large plastic engineering strain of 82% and a plastic true strain of 170%, together with initial strain hardening, slight strain softening and final strain hardening characteristics. The uniform shear deformation and the ultrahigh plasticity are mainly attributed to strain hardening, which results from the nanoscale inhomogeneity due to liquid phase separation. The formed nanoscale inhomogeneity will hinder, deflect, and bifurcate the propagation of shear bands

Bulk forming of industrial micro components in conventional metals and bulk metallic glasses

DEFF Research Database (Denmark)

Arentoft, Mogens; Paldan, Nikolas Aulin; Eriksen, Rasmus Solmer

2007-01-01

For production of micro components in large numbers, forging is an interesting and challenging process. The conventional metals like silver, steel and aluminum often require multi-step processes, but high productivity and increased strength justify the investment. As an alternative, bulk metallic...

Toxicity of nanoparticulate and bulk ZnO, Al{sub 2}O{sub 3} and TiO{sub 2} to the nematode Caenorhabditis elegans

Energy Technology Data Exchange (ETDEWEB)

Wang Huanhua; Wick, Robert L. [Department of Plant, Soil and Insect Sciences, University of Massachusetts, Stockbridge Hall, Amherst, MA 01003 (United States); Xing Baoshan [Department of Plant, Soil and Insect Sciences, University of Massachusetts, Stockbridge Hall, Amherst, MA 01003 (United States)], E-mail: bx@pssci.umass.edu

2009-04-15

Limited information is available on the environmental behavior and associated potential risk of manufactured oxide nanoparticles (NPs). In this research, toxicity of nanoparticulate and bulk ZnO, Al{sub 2}O{sub 3} and TiO{sub 2} were examined to the nematode Caenorhabditis elegans with Escherichia coli as a food source. Parallel experiments with dissolved metal ions from NPs were also conducted. The 24-h median lethal concentration (LC{sub 50}) and sublethal endpoints were assessed. Both NPs and their bulk counterparts were toxic, inhibiting growth and especially the reproductive capability of the nematode. The 24-h LC{sub 50} for ZnO NPs (2.3 mg L{sup -1}) and bulk ZnO was not significantly different, but significantly different between Al{sub 2}O{sub 3} NPs (82 mg L{sup -1}) and bulk Al{sub 2}O{sub 3} (153 mg L{sup -1}), and between TiO{sub 2} NPs (80 mg L{sup -1}) and bulk TiO{sub 2} (136 mg L{sup -1}). Oxide solubility influenced the toxicity of ZnO and Al{sub 2}O{sub 3} NPs, but nanoparticle-dependent toxicity was indeed observed for the investigated NPs. - ZnO, Al{sub 2}O{sub 3} and TiO{sub 2} nanoparticles are more toxic than their bulk counterparts to the nematode, Caenorhabditis elegans.

Bulk metallic glasses and high entropy alloys for reprocessing applications

International Nuclear Information System (INIS)

Kamachi Mudali, U.; Jayaraj, J.

2016-01-01

Recent breakthroughs in materials engineering have generated complex alloys that retain a glassy state in bulk form (bulk metallic glasses or BMGs) via ingot casting. High corrosion resistance is expected for BMGs (amorphous) as they are free from defects associated with the crystalline state such as grain boundaries, dislocations and stacking faults. Compared with conventional alloys containing one or two principal elements, the recently developed HEAs are usually composed of five or more elements with equimolar or near equimolar elemental fractions, which forms single solid solution phase. These HEAs exhibit excellent microstructural stability with better mechanical, wear and corrosion resistance properties as they are essentially single phase. Reprocessing of spent fuel from the fast breeder reactor involves the use of high concentration of (11.5 M) nitric acid under boiling conditions for the dissolution of the fuel. Conventional AISI type 304LSS and nitric acid grade 304L stainless steel would undergo inter-granular corrosion under these conditions and cannot be used for the fabrication of dissolver vessel. Currently titanium is used and zirconium alloys are proposed for future dissolver applications. Thus searching for newer materials with higher corrosion resistance suggests metallic glasses and HEAs for critical components of the dissolver application. Several Zr-based glassy alloys with different microstructural states and Ni-Nb based glassy alloys and TiZrHfNbTa HEA were cast and characterized for microstructure and corrosion resistance in nitric acid medium. From these studies, factors such as the corrosive environment (nitric acid, chloride and fluoride), and the presence of passivating elements in the alloy were emphasized for better corrosion resistance of BMGs and HEA. Attempts were also made to prepare coatings of Zr-and Ni-based glassy alloys on 304LSS by laser based deposition technique and their corrosion properties were evaluated. (author)

Fracture toughness study of new Zr-based Be-bearing bulk metallic glasses

OpenAIRE

Kim, C. Paul; Suh, Jin-Yoo; Wiest, Aaron; Lind, Mary Laura; Conner, R. Dale; Johnson, William L.

2009-01-01

Three new compositional variants of the Zr–Ti–Be–LTM (late transition metal) family of metallic glasses are discussed. Thermal stability, ΔT = T_x−T_g, was increased from 82 °C for Zr_(41.2)Ti_(13.8)Cu_(12.5)Ni_(10)Be_(22.5) (Viterloy 1) to 141 °C for Zr_(44)Ti_(11)Cu_(20)Be_(25). It is found that fracture toughness is the most distinguishing parameter characterizing the alloys in contrast to other mechanical properties. Quaternary alloys consistently had fracture toughness values exceeding 8...

On the Potential of Bulk Metallic Glasses for Dental Implantology: Case Study on Ti40Zr10Cu36Pd14.

Science.gov (United States)

Liens, Alethea; Etiemble, Aurélien; Rivory, Pascaline; Balvay, Sandra; Pelletier, Jean-Marc; Cardinal, Sandrine; Fabrègue, Damien; Kato, Hidemi; Steyer, Philippe; Munhoz, Tais; Adrien, Jerome; Courtois, Nicolas; Hartmann, Daniel J; Chevalier, Jérôme

2018-02-06

Ti 40 Zr 10 Cu 36 Pd 14 Bulk Metallic Glass (BMG) appears very attractive for future biomedical applications thanks to its high glass forming ability, the absence of toxic elements such as Ni, Al or Be and its good mechanical properties. For the first time, a complete and exhaustive characterization of a unique batch of this glassy alloy was performed, together with ISO standard mechanical tests on machined implant-abutment assemblies. The results were compared to the benchmark Ti-6Al-4V ELI (Extra-Low-Interstitial) to assess its potential in dental implantology. The thermal stability, corrosion and sterilization resistance, cytocompatibility and mechanical properties were measured on samples with a simple geometry, but also on implant-abutment assemblies' prototypes. Results show that the glassy alloy exhibits a quite high thermal stability, with a temperature range of 38 °C between the glass transition and crystallization, a compressive strength of 2 GPa, a certain plastic deformation (0.7%), a hardness of 5.5 GPa and a toughness of 56 MPa.√m. Moreover, the alloy shows a relatively lower Young's modulus (96 GPa) than the Ti-6Al-4V alloy (110-115 GPa), which is beneficial to limit bone stress shielding. The BMG shows a satisfactory cytocompatibility, a high resistance to sterilization and a good corrosion resistance (corrosion potential of -0.07 V/SCE and corrosion current density of 6.0 nA/cm²), which may ensure its use as a biomaterial. Tests on dental implants reveal a load to failure 1.5-times higher than that of Ti-6Al-4V and a comparable fatigue limit. Moreover, implants could be machined and sandblasted by methods usually conducted for titanium implants, without significant degradation of their amorphous nature. All these properties place this metallic glass among a promising class of materials for mechanically-challenging applications such as dental implants.

On the Potential of Bulk Metallic Glasses for Dental Implantology: Case Study on Ti40Zr10Cu36Pd14

Directory of Open Access Journals (Sweden)

Alethea Liens

2018-02-01

Full Text Available Ti40Zr10Cu36Pd14 Bulk Metallic Glass (BMG appears very attractive for future biomedical applications thanks to its high glass forming ability, the absence of toxic elements such as Ni, Al or Be and its good mechanical properties. For the first time, a complete and exhaustive characterization of a unique batch of this glassy alloy was performed, together with ISO standard mechanical tests on machined implant-abutment assemblies. The results were compared to the benchmark Ti-6Al-4V ELI (Extra-Low-Interstitial to assess its potential in dental implantology. The thermal stability, corrosion and sterilization resistance, cytocompatibility and mechanical properties were measured on samples with a simple geometry, but also on implant-abutment assemblies’ prototypes. Results show that the glassy alloy exhibits a quite high thermal stability, with a temperature range of 38 °C between the glass transition and crystallization, a compressive strength of 2 GPa, a certain plastic deformation (0.7%, a hardness of 5.5 GPa and a toughness of 56 MPa.√m. Moreover, the alloy shows a relatively lower Young’s modulus (96 GPa than the Ti-6Al-4V alloy (110–115 GPa, which is beneficial to limit bone stress shielding. The BMG shows a satisfactory cytocompatibility, a high resistance to sterilization and a good corrosion resistance (corrosion potential of −0.07 V/SCE and corrosion current density of 6.0 nA/cm2, which may ensure its use as a biomaterial. Tests on dental implants reveal a load to failure 1.5-times higher than that of Ti-6Al-4V and a comparable fatigue limit. Moreover, implants could be machined and sandblasted by methods usually conducted for titanium implants, without significant degradation of their amorphous nature. All these properties place this metallic glass among a promising class of materials for mechanically-challenging applications such as dental implants.

Modeling size effects on fatigue life of a zirconium-based bulk metallic glass under bending

International Nuclear Information System (INIS)

Yuan Tao; Wang Gongyao; Feng Qingming; Liaw, Peter K.; Yokoyama, Yoshihiko; Inoue, Akihisa

2013-01-01

A size effect on the fatigue-life cycles of a Zr 50 Cu 30 Al 10 Ni 10 (at.%) bulk metallic glass has been observed in the four-point-bending fatigue experiment. Under the same bending-stress condition, large-sized samples tend to exhibit longer fatigue lives than small-sized samples. This size effect on the fatigue life cannot be satisfactorily explained by the flaw-based Weibull theories. Based on the experimental results, this study explores possible approaches to modeling the size effects on the bending-fatigue life of bulk metallic glasses, and proposes two fatigue-life models based on the Weibull distribution. The first model assumes, empirically, log-linear effects of the sample thickness on the Weibull parameters. The second model incorporates the mechanistic knowledge of the fatigue behavior of metallic glasses, and assumes that the shear-band density, instead of the flaw density, has significant influence on the bending fatigue-life cycles. Promising predictive results provide evidence of the potential validity of the models and their assumptions.

Dynamic behaviors of a Zr-based bulk metallic glass under ramp wave and shock wave loading

Directory of Open Access Journals (Sweden)

Binqiang Luo

2015-06-01

Full Text Available Dynamic behaviors of Zr51Ti5Ni10Cu25Al9 bulk metallic glass were investigated using electric gun and magnetically driven isentropic compression device which provide shock and ramp wave loading respectively. Double-wave structure was observed under shock compression while three-wave structure was observed under ramp compression in 0 ∼ 18GPa. The HEL of Zr51Ti5Ni10Cu25Al9 is 8.97 ± 0.61GPa and IEL is 8.8 ± 0.3GPa, respectively. Strength of Zr51Ti5Ni10Cu25Al9 estimated from HEL is 5.0 ± 0.3GPa while the strength estimated from IEL is 3.6 ± 0.1GPa. Shock wave velocity versus particle velocity curve of Zr51Ti5Ni10Cu25Al9 under shock compression appears to be bilinear and a kink appears at about 18GPa. The Lagrangian sound speed versus particle velocity curve of Zr51Ti5Ni10Cu25Al9 under ramp wave compression exhibits two discontinuances and are divided to three regions: elastic, plastic-I and plastic-II. The first jump-down occurs at elastic-plastic transition and the second appears at about 17GPa. In elastic and plastic-I regions, Lagrangian sound speed increases linearly with particle velocity, respectively. Characteristic response of sound speed in plastic-I region disagree with shock result in the same pressure region(7GPa ∼ 18GPa, but is consistent with shock result at higher pressure(18-110GPa.

Mechanical properties of Zr41.2Ti13.8Ni10Cu12.5Be22.5 bulk metallic glass with different geometric confinements

Science.gov (United States)

Zhang, Changqin; Zhang, Haifeng; Sun, Qilei; Liu, Kegao

2018-03-01

Zr41.2Ti13.8Ni10Cu12.5Be22.5 (Vit 1) bulk metallic glass with Cu sleeves at different positions was prepared by the Cu mold casting method, and the effects of different geometric confinements offered by Cu sleeves on the mechanical properties of Vit 1 were investigated. It was found that the mechanical properties were prominently influenced by different geometric confinements and the plasticity could be modified by optimizing the positions of Cu sleeves. The results revealed that shear band initiation and propagation could be efficiently intervened by changing the radial boundary restraints, which led to quite different mechanical behaviors.

Bulk and microscale compressive behavior of a Zr-based metallic glass

International Nuclear Information System (INIS)

Lai, Y.H.; Lee, C.J.; Cheng, Y.T.; Chou, H.S.; Chen, H.M.; Du, X.H.; Chang, C.I.; Huang, J.C.; Jian, S.R.; Jang, J.S.C.; Nieh, T.G.

2008-01-01

Micropillars with diameters of 3.8, 1 and 0.7 μm were fabricated from a two-phase Zr-based metallic glass using focus ion beam (FIB), and then tested in compression at strain rates from 1 x 10 -4 to 1 x 10 -2 s -1 . The apparent yield strength of the micropillars ranges from 1992 to 2972 MPa, or 25-86% increase over that of the bulk specimens. This strength increase can be rationalized by the Weibull statistics for brittle materials

The effect of bulk/surface defects ratio change on the photocatalysis of TiO_2 nanosheet film

International Nuclear Information System (INIS)

Wang, Fangfang; Ge, Wenna; Shen, Tong; Ye, Bangjiao; Fu, Zhengping; Lu, Yalin

2017-01-01

Highlights: • The defect behaviors of TiO_2 nanosheet array films were studied by positron annihilation spectroscopy. • Different bulk/surface defect ratios were realized by annealing at different temperature. • It was concluded that bulk defects are mainly Ti"3"+ vacancy defects. • The separation efficiency of photogenerated electrons and holes could be significantly improved by optimizing the bulk/surface defects ratio. - Abstract: The photocatalysis behavior of TiO_2 nanosheet array films was studied, in which the ratio of bulk/surface defects were adjusted by annealing at different temperature. Combining positron annihilation spectroscopy, EPR and XPS, we concluded that the bulk defects belonged to Ti"3"+ related vacancy defects. The results show that the separation efficiency of photogenerated electrons and holes could be significantly improved by optimizing the bulk/surface defects ratio of TiO_2 nanosheet films, and in turn enhancing the photocatalysis behaviors.

Hydrogen-induced high damping of bulk metallic glasses

International Nuclear Information System (INIS)

Hasegawa, M.

2009-01-01

There are two important topics concerned with the recent researches on the damping materials of hydrogenated metallic glasses (HMGs). One is the mechanism of the high hydrogen-induced internal friction of HMGs. The other is the materials processing of 'bulk' HMGs for engineering. This article describes the summary of our recent studies on these topics. The first one is closely related to the local structure of the metallic glasses. Therefore, our recent results on the intermediate-range local structure of the simple two Zr-based metallic glasses are described, which has been clarified by the Voronoi analysis using the experimental data of the neutron diffraction measurements. The hydrogen-induced internal friction of HMGs is also discussed on the basis of these recent results of the local structure of the metallic glasses. In terms of the second topic, the first successful preparation of heavily hydrogenated Zr-based bulk HMG rods without hydrogen-induced surface embrittlement is described. They are prepared by a powder-compact-melting and liquid-casting process using Zr-Al-Ni-Cu metallic glass and ZrH 2 powders as the starting materials. It has been found that they have high damping properties.

Pressure-controlled nucleation and growth in Zr41Ti14Cu12.5Ni10Be22.5 bulk metallic glass close to and beyond glass transition temperature

International Nuclear Information System (INIS)

Pan Mingxiang; Yao Yushu; Zhao Deqian; Zhuang Yanxin; Wang Weihua

2002-01-01

By high-pressure annealing close to and beyond glass transition temperature, the behavior of nucleation and growth of crystals in Zr 41 Ti 14 Cu 12.5 Ni 10 Be 22.5 bulk metallic glass (BMG) is investigated. The experimental results indicate that exerting a high pressure during annealing can markedly decrease the nucleation temperature of the BMG. The growth rate of crystals first increases and then decreases with increase of annealing pressure. The effect of pressure on nucleation and growth of crystals is phenomenologically explained

Deformation behaviors of Cu29Zr32Ti15Al5Ni19 high entropy bulk metallic glass during nanoindentation

Science.gov (United States)

Fang, Qihong; Yi, Ming; Li, Jia; Liu, Bin; Huang, Zaiwang

2018-06-01

The deformation behaviors of Cu29Zr32Ti15Al5Ni19 high entropy bulk metallic glass (HE-BMG) during the nanoindentation are presented via the large-scale molecular dynamics (MD) simulations. The indentation tests are carried out using spherical rigid indenter to investigate the microstructural evolution on the mechanical properties of HE-BMGs in terms of shear strain, indentation force, and surface morphology as well as radial distribution function (RDF). Based on the Hertzian fitting the load-displacement curve, HE-BMG Cu29Zr32Ti15Al5Ni19 has the Young's modulus of 93.1 GPa and hardness of 8.8 GPa. The indentation force requiring for the continual increasing contacted area between the indenter and the substrate goes up with the increasing of indentation depth. In addition, the symmetrical distribution of atomic displacement reveals the isotropic of HE-BMG after the indentation treatment. In the deformation region, the Al element would lead to the serious fluctuation in the first peak of RDF, which is much stronger than the other elements. The severe distortion from the atomic size difference maybe reduce the activation energy to the occurrence of shear deformation in HE-BMG, leading to the transition from brittle to ductile observed by the whole sliding of the local atom group. Through the indentation load-displacement curves at various temperatures, the softening of HE-BMG at high temperatures is in qualitative agreement with the experimental findings. Moreover, this effective strategy is used to accelerate the discovery of excellent mechanical properties of HE-BMGs by means of MD simulation, as well as understand the fundamental nanoindentation response of HE-BMGs.

Anatomy-performance correlation in Ti-based contact metallizations on AlGaN/GaN heterostructures

International Nuclear Information System (INIS)

Mohammed, Fitih M.; Wang, Liang; Koo, Hyung Joon; Adesida, Ilesanmi

2007-01-01

A comprehensive study of the electrical and surface microstructural characteristics of Ti/Au, Ti/Al/Au, Ti/Mo/Au, and Ti/Al/metal/Au schemes, where metal is Ir, Mo, Nb, Pt, Ni, Ta, and Ti, has been carried out to determine the role of constituent components of multilayer contact metallizations on Ohmic contact formation on AlGaN/GaN heterostructures. Attempts have been made to elucidate the anatomy (composition-structure) performance correlation in these schemes. Evidences have been obtained for the necessity of the Al and metal barrier layer as well as an optimal amount of Ti for achieving low-resistance Ohmic contact formation. A strong dependence of electrical properties and intermetallic interactions on the type of metal barrier layer used was found. Scanning electron microscopy characterization, coupled with energy dispersive x-ray spectroscopy, has shown evidence for alloy aggregation, metal layer fragmentation, Al-Au solid solution formation, and possible Au and/or Al reaction with metal layer. Results from the present study provide insights on the active and the necessary role various components of a multilayer contact metallization play for obtaining excellent Ohmic contact formation in the fabrication of AlGaN/GaN high electron mobility transistors

Anisotropic Metal Deposition on TiO2 Particles by Electric-Field-Induced Charge Separation.

Science.gov (United States)

Tiewcharoen, Supakit; Warakulwit, Chompunuch; Lapeyre, Veronique; Garrigue, Patrick; Fourier, Lucas; Elissalde, Catherine; Buffière, Sonia; Legros, Philippe; Gayot, Marion; Limtrakul, Jumras; Kuhn, Alexander

2017-09-11

Deposition of metals on TiO 2 semiconductor particles (M-TiO 2 ) results in hybrid Janus objects combining the properties of both materials. One of the techniques proposed to generate Janus particles is bipolar electrochemistry (BPE). The concept can be applied in a straightforward way for the site-selective modification of conducting particles, but is much less obvious to use for semiconductors. Herein we report the bulk synthesis of anisotropic M-TiO 2 particles based on the synergy of BPE and photochemistry, allowing the intrinsic limitations, when they are used separately, to be overcome. When applying electric fields during irradiation, electrons and holes can be efficiently separated, thus breaking the symmetry of particles by modifying them selectively and in a wireless way on one side with either gold or platinum. Such hybrid materials are an important first step towards high-performance designer catalyst particles, for example for photosplitting of water. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Biocompatible Ni-free Zr-based bulk metallic glasses with high-Zr-content: Compositional optimization for potential biomedical applications

Energy Technology Data Exchange (ETDEWEB)

Hua, Nengbin, E-mail: flower1982cn@126.com [Department of Materials Science and Engineering, Fujian University of Technology, 350118 Fuzhou (China); Department of Materials Science and Engineering, Fuzhou University, 350116 Fuzhou (China); Huang, Lu [Department of Materials Science and Engineering, The University of Tennessee, Knoxville, TN 37996-2100 (United States); Chen, Wenzhe [Department of Materials Science and Engineering, Fujian University of Technology, 350118 Fuzhou (China); Department of Materials Science and Engineering, Fuzhou University, 350116 Fuzhou (China); He, Wei [Department of Materials Science and Engineering, The University of Tennessee, Knoxville, TN 37996-2100 (United States); Department of Mechanical, Aerospace and Biomedical Engineering, The University of Tennessee, Knoxville, TN 37996-2200 (United States); Zhang, Tao [Key Laboratory of Aerospace Materials and Performance (Ministry of Education), School of Materials Science and Engineering, Beihang University, 100191 Beijing (China)

2014-11-01

The present study designs and prepares Ni-free Zr{sub 60+x}Ti{sub 2.5}Al{sub 10}Fe{sub 12.5−x}Cu{sub 10}Ag{sub 5} (at.%, x = 0, 2.5, 5) bulk metallic glasses (BMGs) by copper mold casting for potential biomedical application. The effects of Zr content on the in vitro biocompatibility of the Zr-based BMGs are evaluated by investigating mechanical properties, bio-corrosion behavior, and cellular responses. It is found that increasing the content of Zr is favorable for the mechanical compatibility with a combination of low Young's modulus, large plasticity, and high notch toughness. Electrochemical measurements demonstrate that the Zr-based BMGs are corrosion resistant in a phosphate buffered saline solution. The bio-corrosion resistance of BMGs is improved with the increase in Zr content, which is attributed to the enrichment in Zr and decrease in Al concentration in the surface passive film of alloys. Regular cell responses of mouse MC3T3-E1 cells, including cell adhesion and proliferation, are observed on the Zr–Ti–Al–Fe–Cu–Ag BMGs, which reveals their general biosafety. The high-Zr-based BMGs exhibit a higher cell proliferation activity in comparison with that of pure Zr and Ti-6Al-4V alloy. The effects of Zr content on the in vitro biocompatibility can be used to guide the future design of biocompatible Zr-based BMGs. - Highlights: • Ni-free Zr{sub 60+x}Ti{sub 2.5}Al{sub 10}Fe{sub 12.5−x}Cu{sub 10}Ag{sub 5} (at.%, x = 0, 2.5, 5) BMGs were fabricated. • Plasticity and notch toughness of BMGs are enhanced by high-Zr-content. • The high-Zr-based BMGs exhibit excellent bio-corrosion resistance in PBS solution. • The biosafety of BMGs is revealed by regular cell adhesion and proliferation. • High-Zr-bearing BMGs are favorable for potential applications as biomaterials.

Scanning probe lithography for fabrication of Ti metal nanodot arrays

International Nuclear Information System (INIS)

Jung, B.; Jo, W.; Gwon, M.J.; Lee, E.; Kim, D.-W.

2010-01-01

We report fabrication of Ti metal nanodot arrays by scanning probe microscopic indentation. A thin poly-methylmethacrylate (PMMA) layer was spin-coated on Si substrates with thickness of 70 nm. Nanometer-size pore arrays were formed by indenting the PMMA layer using a cantilever of a scanning probe microscope. Protuberances with irregular boundaries appeared during the indentation process. Control of approach and pulling-out speed during indentation was able to dispose of the protrusions. Ti metal films were deposited on the patterned PMMA layers by a radio-frequency sputtering method and subsequently lifted off to obtain metal nanodot arrays. The fabricated metal nanodot arrays have 200 nm of diameter and 500 nm of interdistance, which corresponds to a density of 4x10 8 /cm 2 . Scanning probe-based measurement of current-voltage (I-V) behaviors for a single Ti metal nanodot showed asymmetric characteristics. Applying external bias is likely to induce oxidation of Ti metal, since the conductance decreased and volume change of the dots was observed. I-V behaviors of Ti metal nanodots by conventional e-beam lithography were also characterized for comparison.

Characteristic of improved fatigue performance for Zr-based bulk metallic glass matrix composites

International Nuclear Information System (INIS)

Qiao, J.W.; Huang, E.W.; Wang, G.Y.; Yang, H.J.; Liang, W.; Zhang, Y.; Liaw, P.K.

2013-01-01

Zr 58.5 Ti 14.3 Nb 5.2 Cu 6.1 Ni 4.9 Be 11.0 bulk metallic glass matrix composites exhibit improved four-point-bending fatigue endurance with a fatigue limit of 567 MPa, compared to that under the tension–tension fatigue, due to the high-volume-fractioned dendrites, which can effectively blunt the fatigue-induced cracks. Illuminated by high-energy synchrotron X-ray at 200 and 100 K, the corresponding diffraction peaks, such as (110), (200), and (211) shift rightward to small lattice spacings, compared to those at 298 K. However, the peak widths at 100 K and 200 K are almost identical to that of room temperature. Since an identical fatigue specimen was measured under room temperature, 200 K, and 100 K, the invariant of the peak widths reveal the fact of the irreversible microstructure developments induced by fatigue. Even if the fatigue fracture stress is distinguishingly lower than the yielding strength, the deformation of dendrites locally prevails, evidenced by the occurrence of dislocations

Topological Phase Diagrams of Bulk and Monolayer TiS2−xTex

KAUST Repository

Zhu, Zhiyong

2013-02-12

With the use of ab initio calculations, the topological phase diagrams of bulk and monolayer TiS2−xTex are established. Whereas bulk TiS2−xTex shows two strong topological phases [1;(000)] and [1;(001)] for 0.44TiS2−xTex is a unique system for studying topological phases in three and two dimensions simultaneously.

Topological Phase Diagrams of Bulk and Monolayer TiS2−xTex

KAUST Repository

Zhu, Zhiyong; Cheng, Yingchun; Schwingenschlö gl, Udo

2013-01-01

With the use of ab initio calculations, the topological phase diagrams of bulk and monolayer TiS2−xTex are established. Whereas bulk TiS2−xTex shows two strong topological phases [1;(000)] and [1;(001)] for 0.44TiS2−xTex is a unique system for studying topological phases in three and two dimensions simultaneously.

The effect of bulk/surface defects ratio change on the photocatalysis of TiO{sub 2} nanosheet film

Energy Technology Data Exchange (ETDEWEB)

Wang, Fangfang [CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026 (China); Ge, Wenna [State Key Laboratory of Particle Detection and Electronics, University of Science and Technology of China, Hefei 230026 (China); Department of Modern Physics, University of Science and Technology of China, Hefei 230026 (China); Shen, Tong [CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026 (China); Ye, Bangjiao [State Key Laboratory of Particle Detection and Electronics, University of Science and Technology of China, Hefei 230026 (China); Department of Modern Physics, University of Science and Technology of China, Hefei 230026 (China); Fu, Zhengping, E-mail: fuzp@ustc.edu.cn [CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026 (China); Lu, Yalin, E-mail: yllu@ustc.edu.cn [CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026 (China); Synergetic Innovation Center of Quantum Information & Stop Quantum Physics, University of Science and Technology of China, Hefei 230026 (China); National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230026, Anhui (China)

2017-07-15

Highlights: • The defect behaviors of TiO{sub 2} nanosheet array films were studied by positron annihilation spectroscopy. • Different bulk/surface defect ratios were realized by annealing at different temperature. • It was concluded that bulk defects are mainly Ti{sup 3+} vacancy defects. • The separation efficiency of photogenerated electrons and holes could be significantly improved by optimizing the bulk/surface defects ratio. - Abstract: The photocatalysis behavior of TiO{sub 2} nanosheet array films was studied, in which the ratio of bulk/surface defects were adjusted by annealing at different temperature. Combining positron annihilation spectroscopy, EPR and XPS, we concluded that the bulk defects belonged to Ti{sup 3+} related vacancy defects. The results show that the separation efficiency of photogenerated electrons and holes could be significantly improved by optimizing the bulk/surface defects ratio of TiO{sub 2} nanosheet films, and in turn enhancing the photocatalysis behaviors.

Glass Formation, Chemical Properties and Surface Analysis of Cu-Based Bulk Metallic Glasses

Directory of Open Access Journals (Sweden)

Akihisa Inoue

2011-04-01

Full Text Available This paper reviews the influence of alloying elements Mo, Nb, Ta and Ni on glass formation and corrosion resistance of Cu-based bulk metallic glasses (BMGs. In order to obtain basic knowledge for application to the industry, corrosion resistance of the Cu–Hf–Ti–(Mo, Nb, Ta, Ni and Cu–Zr–Ag–Al–(Nb bulk glassy alloy systems in various solutions are reported in this work. Moreover, X-ray photoelectron spectroscopy (XPS analysis is performed to clarify the surface-related chemical characteristics of the alloy before and after immersion in the solutions; this has lead to a better understanding of the correlation between the surface composition and the corrosion resistance.

Microstructure Effects on Spall Strength of Titanium-based Bulk Metallic Glass Composites

Science.gov (United States)

Diaz, Rene; Hofmann, Douglas; Thadhani, Naresh; Georgia Tech Team; GT-JPL Collaboration

2017-06-01

The spall strength of Ti-based metallic glass composites is investigated as a function of varying volume fractions (0-80%) of in-situ formed crystalline dendrites. With increasing dendrite content, the topology changes such that neither the harder glass nor the softer dendrites dominate the microstructure. Plate-impact experiments were performed using the 80-mm single-stage gas gun over impact stresses up to 18 GPa. VISAR interferometry was used to obtain rear free-surface velocity profiles revealing the velocity pullback spall failure signals. The spall strengths were higher than for Ti-6Al-4V alloy, and remained high up to impact stress. The influence of microstructure on the spall strength is indicated by the constants of the power law fit with the decompression strain rate. Differences in fracture behavior reveal void nucleation as a dominant mechanism affecting the spall strength. The microstructure with neither 100% glass nor with very high crystalline content, provides the most tortuous path for fracture and therefore highest spall strength. The results allow projection of spall strength predictions for design of in-situ formed metallic glass composites. ARO Grant # W911NF-09 ``1-0403 NASA JPL Contract # 1492033 ``Prime # NNN12AA01C; NSF GRFP Grant #DGE-1148903; and NDSE & G.

Hot Embossing of Zr-Based Bulk Metallic Glass Micropart Using Stacked Silicon Dies

Directory of Open Access Journals (Sweden)

Zhijing Zhu

2015-01-01

Full Text Available We demonstrated hot embossing of Zr65Cu17.5Ni10Al7.5 bulk metallic glass micropart using stacked silicon dies. Finite element simulation was carried out, suggesting that it could reduce the stress below 400 MPa in the silicon dies and enhance the durability of the brittle silicon dies when using varying load mode (100 N for 60 s and then 400 N for 60 s compared with using constant load mode (200 N for 120 s. A micropart with good appearance was fabricated under the varying load, and no silicon die failure was observed, in agreement with the simulation. The amorphous state of the micropart was confirmed by differential scanning calorimeter and X-ray diffraction, and the nanohardness and Young’s modulus were validated close to those of the as-cast BMG rods by nanoindentation tests. The results proved that it was feasible to adopt the varying load mode to fabricate three-dimensional Zr-based bulk metallic glass microparts by hot embossing process.

Optimalization activity of ZnO NR/TiO2 NR-P3HT as an active layer based on hybrid bulk heterojunction on dye sensitized solar cell (DSSC)

International Nuclear Information System (INIS)

Saputri, Liya Nikmatul Maula Zulfa; Ramelan, Ari Handono; Hanif, Qonita Awliya; Hasanah, Yesi Ihdina Fityatal; Prajanira, Lau Bekti; Wahyuningsih, Sayekti

2016-01-01

Dye sensitized solar cell (DSSC) with metal inorganic and conjugated organic polymer mixture, ZnO NR/TiO 2 NR-P3HT as an active layer based on hybrid bulk heterojunction has been studied. The hybrid material was used to optimize DSSC performs for better efficiency than only TiO 2 as an electrode. Synthesis of TiO 2 nanorods (NR) was conducted by ball milling 1000 rpm for 4 hours and strong base reaction by hydrothermal process at 120 °C overnight. And the ZnO NR was synthesized from Zn(NO 3 ) 2 .4H 2 O precusor by hydrotermal process at 90 °C for 5 hours and calcined on various temperature s of 400, 600, and 800 °C. ZnO NR was coated into an Tndium Tin Oxide (TTO) glass to collecting electron s effectively, where TiO 2 NR were incorporated with poly(3 -hexylthiophene) (P3HT) on various concentration s of 5, 10, 15 mg/mL to obtain a larger surface area. Material characterization were performed by X -Ray Diffraction (XRD) and Uv-Vis spectrophotometer. For an application of DSSC were measured by T-V Keithley Multimeter and the efficiency of DSSC at various P3HT’s concentrations of 5, 10, 15 mg/mL were 7.44 × 10 −3 , 0.0114, 0.0104, respectively. The maximum efficiency of DSSC was showed when TiO 2 NR-P3HT’s concentration was 10 mg/mL.

Optimalization activity of ZnO NR/TiO2 NR-P3HT as an active layer based on hybrid bulk heterojunction on dye sensitized solar cell (DSSC)

Energy Technology Data Exchange (ETDEWEB)

Saputri, Liya Nikmatul Maula Zulfa; Ramelan, Ari Handono; Hanif, Qonita Awliya; Hasanah, Yesi Ihdina Fityatal; Prajanira, Lau Bekti; Wahyuningsih, Sayekti, E-mail: sayektiw@mipa.uns.ac.id [Chemistry Department, Faculty of Mathematics and Natural Sciences, Sebelas Maret University, Ir.Sutami 36A Kentingan Surakarta 57/26, Central Java (Indonesia)

2016-04-19

Dye sensitized solar cell (DSSC) with metal inorganic and conjugated organic polymer mixture, ZnO NR/TiO{sub 2} NR-P3HT as an active layer based on hybrid bulk heterojunction has been studied. The hybrid material was used to optimize DSSC performs for better efficiency than only TiO{sub 2} as an electrode. Synthesis of TiO{sub 2} nanorods (NR) was conducted by ball milling 1000 rpm for 4 hours and strong base reaction by hydrothermal process at 120 °C overnight. And the ZnO NR was synthesized from Zn(NO{sub 3}){sub 2}.4H{sub 2}O precusor by hydrotermal process at 90 °C for 5 hours and calcined on various temperature s of 400, 600, and 800 °C. ZnO NR was coated into an Tndium Tin Oxide (TTO) glass to collecting electron s effectively, where TiO{sup 2} NR were incorporated with poly(3 -hexylthiophene) (P3HT) on various concentration s of 5, 10, 15 mg/mL to obtain a larger surface area. Material characterization were performed by X -Ray Diffraction (XRD) and Uv-Vis spectrophotometer. For an application of DSSC were measured by T-V Keithley Multimeter and the efficiency of DSSC at various P3HT’s concentrations of 5, 10, 15 mg/mL were 7.44 × 10{sup −3}, 0.0114, 0.0104, respectively. The maximum efficiency of DSSC was showed when TiO{sup 2} NR-P3HT’s concentration was 10 mg/mL.

The effect of bulk/surface defects ratio change on the photocatalysis of TiO2 nanosheet film

Science.gov (United States)

Wang, Fangfang; Ge, Wenna; Shen, Tong; Ye, Bangjiao; Fu, Zhengping; Lu, Yalin

2017-07-01

The photocatalysis behavior of TiO2 nanosheet array films was studied, in which the ratio of bulk/surface defects were adjusted by annealing at different temperature. Combining positron annihilation spectroscopy, EPR and XPS, we concluded that the bulk defects belonged to Ti3+ related vacancy defects. The results show that the separation efficiency of photogenerated electrons and holes could be significantly improved by optimizing the bulk/surface defects ratio of TiO2 nanosheet films, and in turn enhancing the photocatalysis behaviors.

Promising Ta-Ti-Zr-Si metallic glass coating without cytotoxic elements for bio-implant applications

Science.gov (United States)

Lai, J. J.; Lin, Y. S.; Chang, C. H.; Wei, T. Y.; Huang, J. C.; Liao, Z. X.; Lin, C. H.; Chen, C. H.

2018-01-01

Tantalum (Ta) is considered as one of the most promising metal due to its high corrosion resistance, excellent biocompatibility and cell adhesion/in-growth capabilities. Although there are some researches exploring the biomedical aspects of Ta and Ta based alloys, systematic characterizations of newly developed Ta-based metallic glasses in bio-implant applications is still lacking. This study employs sputtering approach to produced thin-film Ti-based metallic glasses due to the high melting temperature of Ta (3020 °C). Two fully amorphous Ta-based metallic glasses composed of Ta57Ti17Zr15Si11 and Ta75Ti10Zr8Si7 are produced and experimentally characterized in terms of their mechanical properties, bio-corrosion properties, surface hydrophilic characteristics, and in-vitro cell viability and cells attachment tests. Compare to conventional pure Ti and Ta metals, the developed Ta-based metallic glasses exhibit higher hardness and lower modulus which are better match to the mechanical properties of bone. MTS assay results show that Ta-based metallic glasses show comparable cell viability and cell attachment rate compared to that of pure Ti and Ta surface in a 72 h in-vitro test.

Roles of Co element in Fe-based bulk metallic glasses utilizing industrial FeB alloy as raw material

Directory of Open Access Journals (Sweden)

Shouyuan Wang

2017-08-01

Full Text Available A series of Fe-based bulk metallic glasses were fabricated by a conventional copper mold casting method using a kind of Fe-B industrial raw alloy. It is found that Fe-B-Y-Nb bulk metallic glass with 3 at% of Co addition possesses the best glass forming ability, thermal stability, hardness, magnetic property and anti-corrosion property. The hardness test result indicates a synchronically trend with glass-forming ability parameters. The excellent glass-forming ability and a combination of good mechanical and functional properties suggest that the alloys in this work might be good candidates for commercial use.

Structural relaxation and crystallisation of bulk metallic glasses Zr41Ti14Cu12.5Ni10-xBe22.5Fex (x = 0 or 2) studied by mechanical spectroscopy

International Nuclear Information System (INIS)

Wang, Q.; Pelletier, J.M.; Dong, Y.D.; Ji, Y.F.

2004-01-01

The measurements of the internal friction and dynamic shear modulus as well as differential scanning calorimetry have been performed in order to investigate the structural relaxation and crystallization of Zr 41 Ti 14 Cu 12.5 Ni 10-x Be 22.5 Fe x (x=0 or 2) bulk metallic glasses. It is found that the glass transition is retarded and the thermal stability of supercooled liquid is increased by the Fe addition. The experimental results are well analyzed using a physical model, which can characterize atomic mobility and mechanical response of disordered condensed materials

Characterisation and behaviour of Ti/TiO2/noble metal anodes

International Nuclear Information System (INIS)

Gueneau de Mussy, Jean-Paul; Macpherson, Julie V.; Delplancke, Jean-Luc

2003-01-01

The morphology, composition and the electrical and electrochemical behaviour of the anodic microporous layer, prepared by the galvanostatic anodisation of Ti after sparking, followed by galvanostatic deposition of Pt or Ir have been investigated. These electrodes are proposed to function as dimensionally stable anodes (DSAs). For Ti/TiO 2 /Pt electrodes, Pt is deposited within some of the micropores of the oxide film. In contrast, for Ti/TiO 2 /Ir, the metal is deposited preferentially on the top surface. This difference is thought to result from the position of the metal deposition potential with respect to the flat band potential of n-TiO 2 . Optical imaging of both types of DSA suggests that only a few sites on the surface are responsible for electron exchange at the DSA-electrolyte interface. C-AFM measurements of Ti/TiO 2 /Pt samples subjected to long-term anodic polarisation, suggest that the Ti-noble metal contact is progressively insulated by thickening of the TiO 2 barrier layer, promoting passivation of the DSA. For Ir coated anodes, catalytic activity is directly related to the presence of Ir and to the stability of the catalytic oxide layer. Under Cu electrowinning conditions, the electrochemically formed hydrated Ir oxide was found to be catalytically less stable, than the iridium oxide film subjected to a heat treatment

Sheet-bulk metal forming – forming of functional components from sheet metals

Directory of Open Access Journals (Sweden)

Merklein Marion

2015-01-01

Full Text Available The paper gives an overview on the application of sheet-bulk metal forming operations in both scientific and industrial environment. Beginning with the need for an innovative forming technology, the definition of this new process class is introduced. The rising challenges of the application of bulk metal forming operations on sheet metals are presented and the demand on a holistic investigation of this topic is motivated. With the help of examples from established production processes, the latest state of technology and the lack on fundamental knowledge is shown. Furthermore, perspectives regarding new research topics within sheet-bulk metal forming are presented. These focus on processing strategies to improve the quality of functional components by the application of process-adapted semi-finished products as well as the local adaption of the tribological system.

Integrated photooxidative extractive deep desulfurization using metal doped TiO2 and eutectic based ionic liquid

Science.gov (United States)

Zaid, Hayyiratul Fatimah Mohd; Kait, Chong Fai; Mutalib, Mohamed Ibrahim Abdul

2016-11-01

A series of metal doped TiO2 namely Fe/TiO2, Cu/TiO2 and Cu-Fe/TiO2 were synthesized and characterized, to be used as a photocatalyst in the integrated photooxidative extractive deep desulfurization for model oil (dodecane) and diesel fuel. The order of the photocatalytic activity was Cu-Fe/TiO2 followed by Cu/TiO2 and then Fe/TiO2. Cu-Fe/TiO2 was an effective photocatalyst for sulfur conversion at ambient atmospheric pressure. Hydrogen peroxide was used as the source of oxidant and eutectic-based ionic liquid as the extractant. Sulfur conversion in model oil reached 100%. Removal of sulfur from model oil was done by two times extraction with a removal of 97.06% in the first run and 2.94% in the second run.

Memory phenomenon in a lanthanum based bulk metallic glass

Energy Technology Data Exchange (ETDEWEB)

Zhou, Ye [School of Mechanical and Aerospace Engineering, Nanyang Technological University, 50 Nanyang Avenue, 639798 (Singapore); Huang, Wei Min, E-mail: mwmhuang@ntu.edu.sg [School of Mechanical and Aerospace Engineering, Nanyang Technological University, 50 Nanyang Avenue, 639798 (Singapore); Zhao, Yong [School of Chemistry and Chemical Engineering, Jiangsu University, 301 Xuefu Road, Zhenjiang 212013 (China); Ding, Zhen [School of Mechanical and Aerospace Engineering, Nanyang Technological University, 50 Nanyang Avenue, 639798 (Singapore); Li, Yan [School of Materials Science and Engineering, Beihang University, Beijing 100191 (China); Tor, Shu Beng; Liu, Erjia [School of Mechanical and Aerospace Engineering, Nanyang Technological University, 50 Nanyang Avenue, 639798 (Singapore)

2016-07-05

In this paper, we experimentally investigate two memory phenomena in a lanthanum based bulk metallic glass (BMG). While the temperature memory effect (TME) is not found by differential scanning calorimeter (DSC) test, shape recovery is observed in samples indented at both low and high temperatures. In terms of shape memory related characteristics, this BMG shares some features of shape memory alloys (SMAs) due to its metal nature, and some other features of shape memory polymers (SMPs) owing to its glassy–rubbery transition. The formation of protrusion in the polished sample after heating to super-cooled liquid region (SCLR) indicates that surface tension is not a necessarily positive contributor for shape recovery. Release of internal elastic stress is concluded as the major player. Although the amorphous nature of BMGs enables for storing appreciable amount of internal elastic stress upon deformation, without the presence of cross-linker as in typical SMPs, the shape recovery in BMGs is rather limited. - Highlights: • Experimental investigation of shape recovery in BMG. • Surface tension is not the major reason for shape recovery in BMG. • Release of internal stress is the major contributor for shape recovery. • Comparison of shape memory features of BMG with other shape memory materials.

Memory phenomenon in a lanthanum based bulk metallic glass

International Nuclear Information System (INIS)

Zhou, Ye; Huang, Wei Min; Zhao, Yong; Ding, Zhen; Li, Yan; Tor, Shu Beng; Liu, Erjia

2016-01-01

In this paper, we experimentally investigate two memory phenomena in a lanthanum based bulk metallic glass (BMG). While the temperature memory effect (TME) is not found by differential scanning calorimeter (DSC) test, shape recovery is observed in samples indented at both low and high temperatures. In terms of shape memory related characteristics, this BMG shares some features of shape memory alloys (SMAs) due to its metal nature, and some other features of shape memory polymers (SMPs) owing to its glassy–rubbery transition. The formation of protrusion in the polished sample after heating to super-cooled liquid region (SCLR) indicates that surface tension is not a necessarily positive contributor for shape recovery. Release of internal elastic stress is concluded as the major player. Although the amorphous nature of BMGs enables for storing appreciable amount of internal elastic stress upon deformation, without the presence of cross-linker as in typical SMPs, the shape recovery in BMGs is rather limited. - Highlights: • Experimental investigation of shape recovery in BMG. • Surface tension is not the major reason for shape recovery in BMG. • Release of internal stress is the major contributor for shape recovery. • Comparison of shape memory features of BMG with other shape memory materials.

Bulk Synthesis and Characterization of Ti3Al Nanoparticles by Flow-Levitation Method

Directory of Open Access Journals (Sweden)

Shanjun Chen

2013-01-01

Full Text Available A novel bulk synthesis method for preparing high pure Ti3Al nanoparticles was developed by flow-levitation method (FL. The Ti and Al vapours ascending from the high temperature levitated droplet were condensed by cryogenic Ar gas under atmospheric pressure. The morphology, crystalline structure, and chemical composition of Ti3Al nanoparticles were, respectively, investigated by transmission electron microscopy, X-ray diffraction, and inductively coupled plasma atomic emission spectrometry. The results indicated that the Ti3Al powders are nearly spherical-shaped, and the particle size ranges from several nanometers to 100 nm in diameter. Measurements of the d-spacing from X-ray (XRD and electron diffraction studies confirmed that the Ti3Al nanoparticles have a hexagonal structure. A thin oxidation coating of 2-3 nm in thickness was formed around the particles after exposure to air. Based on the XPS measurements, the surface coating of the Ti3Al nanoparticles is a mixture of Al2O3 and TiO2. The production rate of Ti3Al nanoparticles was estimated to be about 3 g/h. This method has a great potential in mass production of Ti3Al nanoparticles.

Soft electronic structure modulation of surface (thin-film) and bulk (ceramics) morphologies of TiO{sub 2}-host by Pb-implantation: XPS-and-DFT characterization

Energy Technology Data Exchange (ETDEWEB)

Zatsepin, D.A. [M.N. Miheev Institute of Metal Physics of Ural Branch of Russian Academy of Sciences, 620990 Yekaterinburg (Russian Federation); Institute of Physics and Technology, Ural Federal University, 620002 Yekaterinburg (Russian Federation); Boukhvalov, D.W., E-mail: danil@hanyang.ac.kr [Department of Chemistry, Hanyang University, 17 Haengdang-dong, Seongdong-gu, Seoul 133-791 (Korea, Republic of); Theoretical Physics and Applied Mathematics Department, Ural Federal University, Mira Street 19, 620002 Yekaterinburg (Russian Federation); Gavrilov, N.V. [Institute of Electrophysics, Russian Academy of Sciences, Ural Branch, 620990 Yekaterinburg (Russian Federation); Zatsepin, A.F. [Institute of Physics and Technology, Ural Federal University, 620002 Yekaterinburg (Russian Federation); Shur, V.Ya.; Esin, A.A. [Institute of Natural Sciences, Ural Federal University, 51 Lenin Ave, 620000 Yekaterinburg (Russian Federation); Kim, S.S. [School of Materials Science and Engineering, Inha University, Incheon 402-751 (Korea, Republic of); Kurmaev, E.Z. [M.N. Miheev Institute of Metal Physics of Ural Branch of Russian Academy of Sciences, 620990 Yekaterinburg (Russian Federation); Institute of Physics and Technology, Ural Federal University, 620002 Yekaterinburg (Russian Federation)

2017-04-01

Highlights: • Experiment and theory demonstrate significant difference between patterns of Pb-ion implantation in TiO{sub 2}. • In bulk TiO{sub 2} Pb-impurities leads formation of PbO phase. • On the surface of TiO{sub 2}:Pb occur formation of PbxOy configurations. • In both bulk and surface TiO{sub 2}:Pb occur decreasing of the bandgap by shift of valence band about 1 eV up. - Abstract: The results of combined experimental and theoretical study of substitutional and clustering effects in the structure of Pb-doped TiO{sub 2}-hosts (bulk ceramics and thin-film morphologies) are presented. Pb-doping of the bulk and thin-film titanium dioxide was made with the help of pulsed ion-implantation without posterior tempering (Electronic Structure Modulation Mode). The X-ray photoelectron spectroscopy (XPS) qualification of core-levels and valence bands and Density-Functional Theory (DFT) calculations were employed in order to study the yielded electronic structure of Pb-ion modulated TiO{sub 2} host-matrices. The combined XPS-and-DFT analysis has agreed definitely with the scenario of the implantation stimulated appearance of PbO-like structures in the bulk morphology of TiO{sub 2}:Pb, whereas in thin-film morphology the PbO{sub 2}-like structure becomes dominating, essentially contributing weak O/Pb bonding (Pb{sub x}O{sub y} defect clusters). The crucial role of the oxygen hollow-type vacancies for the process of Pb-impurity “insertion” into the structure of bulk TiO{sub 2} was pointed out employing DFT-based theoretical background. Both experiment and theory established clearly the final electronic structure re-arrangement of the bulk and thin-film morphologies of TiO{sub 2} because of the Pb-modulated deformation and shift of the initial Valence Base-Band Width about 1 eV up.

Structure, thermal and mechanical properties of in situ Al-based metal matrix composite reinforced with Al2O3 and TiC submicron particles

International Nuclear Information System (INIS)

Yu Peng; Mei Zhi; Tjong, S.C.

2005-01-01

We report herein the structure and characterization of in situ Al-based metal matrix composites (MMCs) prepared from the Al-10 wt.% TiO 2 and Al-10 wt.% TiO 2 -1.5 wt.% C systems via hot isostatic pressing (HIP) at 1000 deg C and 100 MPa. The structure, morphology and thermal behavior of HIPed samples were studied by means of the X-ray diffractometry (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and differential scanning calorimetry (DSC). The results indicated that fined Al 2 O 3 particles and large intermetallic Al 3 Ti plates were in situ formed in the Al-10 wt.% TiO 2 sample during HIPing. However, the introduction of C to the Al-TiO 2 system was beneficial to eliminate large intermetallic Al 3 Ti plates. In this case, Al 2 O 3 and TiC submicron particles were in situ formed in the Al-10 wt.% TiO 2 -1.5 wt.% C sample. Three-point-bending test showed that the strength and the strain-at-break of the HIPed Al-10 wt.% TiO 2 -1.5 wt.% C sample were significantly higher than those of its Al-10 wt.% TiO 2 counterpart. The improvement was derived from the elimination of bulk Al 3 Ti intermetallic plates and from the formation of TiC submicron particles. DSC measurements and thermodynamic analyses were carried out to reveal the reaction formation mechanisms of in situ reinforcing phases. The DSC results generally correlated well with the theoretical predictions. Finally, the correlation between the structure-property relationships of in situ composites is discussed

Micromechanical modeling of tungsten-based bulk metallic glass matrix composites

Energy Technology Data Exchange (ETDEWEB)

Li Hao [Department of Mechanical Engineering-Engineering Mechanics, Michigan Technological University, 1400 Townsend Drive, Houghton, MI 49931 (United States); Li Ke [Department of Mechanical Engineering, Texas A and M University, TAMU 3123, College Station, TX 77843 (United States)]. E-mail: keli@tamu.edu; Subhash, Ghatu [Department of Mechanical Engineering-Engineering Mechanics, Michigan Technological University, 1400 Townsend Drive, Houghton, MI 49931 (United States); Kecskes, Laszlo J. [Weapons and Materials Research Directorate, US Army Research Laboratory, Aberdeen Proving Ground, MD 21005 (United States); Dowding, Robert J. [Weapons and Materials Research Directorate, US Army Research Laboratory, Aberdeen Proving Ground, MD 21005 (United States)

2006-08-15

Micromechanics models are developed for tungsten (W)-based bulk metallic glass (BMG) matrix composites employing the Voronoi tessellation technique and the finite element (FE) method. The simulation results indicate that the computed elastic moduli are close to those measured in the experiments. The predicted stress-strain curves agree well with their experimentally obtained counterparts in the early stage of the plastic deformation. An increase in the W volume fraction leads to a decrease in the yield stress and an increase in the Young's modulus of the composite. In addition, contours of equivalent plastic strain for increasing applied strains provide an explanation why shear bands were observed in the glassy phase, along the W/BMG interface, and in the W phase of failed W/BMG composite specimens.

High mobility half-metallicity in the (LaMnO3)2/(SrTiO3)8 superlattice

KAUST Repository

Cossu, Fabrizio

2013-01-28

First principles calculations have been performed to investigate the LaMnO3/SrTiO3 superlattice. Structural relaxation within the generalized gradient approximation results in no significant tiltings or rotations of oxygen octahedra, but in distinct distortions in the SrTiO3 region. Taking into account the onsite Coulomb interaction, we find that the Mn spins order ferromagnetically, in contrast to the antiferromagnetic state of bulk LaMnO3. Most importantly, the interface strain combined with charge transfer across the interface induces half-metallicity within the MnO2 layers. The superlattice is particulary interesting for spintronics applications because the half-metallic states are characterized by an extraordinary high mobility.

High mobility half-metallicity in the (LaMnO3)2/(SrTiO3)8 superlattice

KAUST Repository

Cossu, Fabrizio; Schwingenschlö gl, Udo; Singh, Nirpendra

2013-01-01

First principles calculations have been performed to investigate the LaMnO3/SrTiO3 superlattice. Structural relaxation within the generalized gradient approximation results in no significant tiltings or rotations of oxygen octahedra, but in distinct distortions in the SrTiO3 region. Taking into account the onsite Coulomb interaction, we find that the Mn spins order ferromagnetically, in contrast to the antiferromagnetic state of bulk LaMnO3. Most importantly, the interface strain combined with charge transfer across the interface induces half-metallicity within the MnO2 layers. The superlattice is particulary interesting for spintronics applications because the half-metallic states are characterized by an extraordinary high mobility.

Role of electrode metallization in the performance of bulk semi-insulating InP radiation detectors

International Nuclear Information System (INIS)

Zatko, B.; Dubecky, F.; Prochazkova, O.; Necas, V.

2007-01-01

This work deals with the study of three different electrode metallizations with the aim to form a Schottky barrier contact. Electrode geometry corresponds to the requirements of digital radiography systems. As substrates bulk Liquid Encapsulated Czochralski (LEC) SI InP wafers doped with Fe and Fe+Zn are used. Results of this study show that no one of the used metallization performs as a blocking contact. However, detectors with Ti/Pt/Au metallization attained a relatively good energy resolution of 7.0 keV in full-width at half-maximum (FWHM) and the charge collection efficiency (CCE) higher than 83% for 122 keV γ-photons at 255 K. The development of SI InP radiation detectors and in particular their electrode technology is discussed in the light of observed results

Pressure effect of glass transition temperature in Zr46.8Ti8.2Cu7.5Ni10Be27.5 bulk metallic glass

DEFF Research Database (Denmark)

Jiang, Jianzhong; Roseker, W.; Sikorski, M.

2004-01-01

Pressure effects on glass transition temperature and supercooled liquid region of a Zr46.8Ti8.2Cu7.5Ni10Be27.5 bulk glass have been investigated by performing in situ high-temperature and high-pressure x-ray powder diffraction measurements using synchrotron radiation. The glass transition was det...... range of 0-2.2 GPa. This method opens a possibility to study the pressure effect of glass transition process in glassy systems under high pressures (>1 GPa). (C) 2004 American Institute of Physics.......Pressure effects on glass transition temperature and supercooled liquid region of a Zr46.8Ti8.2Cu7.5Ni10Be27.5 bulk glass have been investigated by performing in situ high-temperature and high-pressure x-ray powder diffraction measurements using synchrotron radiation. The glass transition...... was detected from the change of the slope of peak position as a function of temperature. It is found that the glass transition temperature increases with pressure by 4.4 K/GPa for the Zr46.8Ti8.2Cu7.5Ni10Be27.5 bulk glass, and the supercooled liquid range decreases with pressure by 2.9 K/GPa in a pressure...

Structural and Mössbauer spectroscopy characterization of bulk and nanostructured TiFe{sub 0.5} Ni{sub 0.5}/graphite compounds and their hydrides

Energy Technology Data Exchange (ETDEWEB)

Martínez, M. A. R., E-mail: fisicorodriguez@gmail.com; André-Filho, J.; Félix, L. L.; Coaquira, J. A. H.; Garg, V. K.; Oliveira, A. C. [Universidade de Brasília, Instituto de Física, Núcleo de Física Aplicada (Brazil); Mestnik-Filho, J. [Instituto de Pesquisas energéticas e Nucleares, IPEN-CNEN/SP (Brazil)

2015-06-15

The structural and hyperfine properties of bulk TiFe{sub 0.5}Ni{sub 0.5} intermetallic and ball-milled TiFe{sub 0.5}Ni{sub 0.5}/graphite compounds and their hydrides have been studied. The bulk and nanostructured TiFe{sub 0.5}Ni{sub 0.5} compounds crystallize in the cubic crystal structure of CsCl (B2). After hydrogenation, the formation of hydrogen-poor phase (∝-phase) and hydride phase (β-phase) have been determined for the bulk compound. However, the formation of the ∝-phase and the hydrogen-richest phase (γ-phase) and other secondary phases have been determined for the ball-milled TiFe{sub 0.5}Ni{sub 0.5}/graphite sample. It has been determined that the ball-milled TiFe{sub 0.5}Ni{sub 0.5}/graphite sample presents a large amount of the γ-phase which indicates that the presence of graphite nearby nanostructured intermetallic grains enhances the absorption of hydrogen. Mossbauer results are consistent with the structural results. Meanwhile, no significant changes in the isomer shift (IS) value has been determined for the α-phase with respect to the intermetallic compound, a strong increase in the IS value has been determined for the β- and γ-phases with respect to the ∝-phase. That increase indicates a decrease of the s-electron density at the Fe nuclei due to the charge transfer from the metal to the nearby hydrogen atoms.

Excellent plasticity of a new Ti-based metallic glass matrix composite upon dynamic loading

Energy Technology Data Exchange (ETDEWEB)

Wu, R.F. [Laboratory of Applied Physics and Mechanics of Advanced Materials, College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024 (China); State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081 (China); Jiao, Z.M. [Institute of Applied Mechanics and Biomedical Engineering, Taiyuan University of Technology, Taiyuan 030024 (China); Wang, Y.S.; Wang, Z. [Laboratory of Applied Physics and Mechanics of Advanced Materials, College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024 (China); Wang, Z.H.; Ma, S.G. [Institute of Applied Mechanics and Biomedical Engineering, Taiyuan University of Technology, Taiyuan 030024 (China); Qiao, J.W., E-mail: qiaojunwei@gmail.com [Laboratory of Applied Physics and Mechanics of Advanced Materials, College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024 (China); State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081 (China)

2016-11-20

Quasi-static and dynamic compressive properties of in-situ Ti{sub 60}Zr{sub 14}V{sub 12}Cu{sub 4}Be{sub 10} bulk metallic glass matrix composites containing ductile dendrites were investigated. Upon quasi-static compressive loading, the composite exhibits a high fracture strength of ~2,600 MPa, combined with a considerable plasticity of ~40% at room temperature. However, upon dynamic loading, an excellent plasticity of ~16% can be obtained due to the abundant dislocations and severe lattice distortions within dendrites and multiplication of shear bands within the glass matrix analyzed by transmission-electron microscopy. A constitutive relationship is obtained by Johnson-Cook plasticity model, which is employed to model the dynamic flow stress behavior. In addition, under dynamic compression, the adiabatic temperature rise increases with increasing strain rates, resulting in that the softening effect within the glass matrix is obviously enhanced during deformation.

A route to transparent bulk metals

KAUST Repository

Schwingenschlögl, Udo

2012-07-23

Hypothetical compounds based on a sapphire host are investigated with respect to their structural as well as electronic features. The results are obtained by electronic structure calculations within density functional theory and the generalized gradient approximation. A quarter of the Al atoms in Al 2O 3 is replaced by a 4d transition metal M ion, with d 0 to d 9 electronic configuration. We perform structure optimizations for all the compounds and analyze the electronic states. Due to the sizeable band gap of the Al 2O 3 host, we can identify promising candidates for transparent bulk metals. We explain the mechanisms leading to this combination of materials properties. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A model for the electric conduction in metal/poly-TiO2/metal structure

Science.gov (United States)

Hossein-Babaei, Faramarz; Alaei-Sheini, Navid-

2017-12-01

Intensely studied memristive devices have M‧/MO/M″ structures, wherein MO is a nanometer-sized metal oxide crystallite sandwiched between the M‧ and M″ metal electrodes. The most widely used oxide for this purpose is TiO2 and the electrodes are of noble metals such as platinum, silver, and gold. The memristive features of the device is believed to originate from the motion of the ionized oxygen vacancies within the oxide crystal. The operation of the device is further complicated by the motion of the mobile cations originating from the metal electrodes. The complexity of the device performance increases further when the noble metal electrodes form Schottky barriers at their junctions with TiO2, as the conduction takes place through these energy barriers. In a recent publication, the authors have shown that, owing to the ohmicity of the Ti/TiO2 junctions, electronic observations on the devices with Ti/TiO2/Ti structure can be easier to model. The presented model clarified that in a Ti/poly-TiO2/Ti structure, the ionic motion and the electronic conduction take place on the TiO2 grain surfaces and grain boundaries rather than the grain interiors. Here, we show that the suggested model has important implications for chemical sensor design and fabrication.

Effect of annealing ambience on the formation of surface/bulk oxygen vacancies in TiO2 for photocatalytic hydrogen evolution

Science.gov (United States)

Hou, Lili; Zhang, Min; Guan, Zhongjie; Li, Qiuye; Yang, Jianjun

2018-01-01

The surface and bulk oxygen vacancy have a prominent effect on the photocatalytic performance of TiO2. In this study, TiO2 possessing different types and concentration of oxygen vacancies were prepared by annealing nanotube titanic acid (NTA) at various temperatures in air or vacuum atmosphere. TiO2 with the unitary bulk single-electron-trapped oxygen vacancies (SETOVs) formed when NTA were calcined in air. Whereas, TiO2 with both bulk and surface oxygen vacancies were obtained when NTA were annealed in vacuum. The series of TiO2 with different oxygen vacancies were systematically characterized by TEM, XRD, PL, XPS, ESR, and TGA. The PL and ESR analysis verified that surface oxygen vacancies and more bulk oxygen vacancies could form in vacuum atmosphere. Surface oxygen vacancies can trap electron and hinder the recombination of photo-generated charges, while bulk SETOVs act as the recombination center. The surface or bulk oxygen vacancies attributed different roles on the photo-absorbance and activity, leading that the sample of NTA-A400 displayed higher hydrogen evolution rate under UV light, whereas NTA-V400 displayed higher hydrogen evolution rate under visible light because bulk SETOVs can improve visible light absorption because sub-band formed by bulk SETOVs prompted the secondary transition of electron excited.

Pulsed Nd:YAG laser welding of Cu54Ni6Zr22Ti18 bulk metallic glass

International Nuclear Information System (INIS)

Kim, Jong Hyun; Lee, Changhee; Lee, D.M.; Sun, J.H.; Shin, S.Y.; Bae, J.C.

2007-01-01

Pulsed Nd:YAG laser was used to weld Cu 54 Ni 6 Zr 22 Ti 18 (numbers indicate at.%) metallic glass with glass forming ability of 6 mm. Through a single pulse irradiation on the glassy plate, the pulse condition for welding without crystallization was investigated. Under the selected pulse condition, the Cu 54 Ni 6 Zr 22 Ti 18 plate was periodically welded with different welding speeds. For the welding speed of 60 mm/min, no crystallization was observed in both weldment and heat-affected zone. For the 20 mm/min, the crystallized areas with a band shape were observed along the welding direction

Simulation of Zr content in TiZrCuNi brazing filler metal for Ti6Al4V alloy

International Nuclear Information System (INIS)

Yue, Xishan; Xie, Zonghong; Jing, Yongjuan

2017-01-01

To optimize the Zr content in Ti-based filler metal, the covalent electron on the nearest atoms bond in unit cell (n_A"u"-"v) with Ti-based BCC structure was calculated, in which the brazing temperature was considered due to its influence on the lattice parameter. Based on EET theory (The Empirical Electron Theory for solid and molecules), n_A"u"-"v represents the strength of the unit cell with defined element composition and structure, which reflects the effect from solid solution strengthening on the strength of the unit cell. For Ti-Zr-15Cu-10Ni wt% filler metal, it kept constant as 0.3476 with Zr as 37.5 ∝ 45 wt% and decreased to 0.333 with Zr decreasing from 37.5 to 25 wt%. Finally, it increased up to 0.3406 with Zr as 2 ∝ 10 wt%. Thus, Ti-based filler metal with Zr content being 2 ∝ 10 wt% is suggested based on the simulation results. Moreover, the calculated covalent electron of n_A"u"-"v showed good agreement with the hardness of the joint by filler 37.5Zr and 10Zr. The composition of Ti-10Zr-15Cu-10Ni wt% was verified in this study with higher tensile strength of the brazing joint and uniform microstructure of the interface. (orig.)

Simulation of Zr content in TiZrCuNi brazing filler metal for Ti6Al4V alloy

Energy Technology Data Exchange (ETDEWEB)

Yue, Xishan [Northwestern Polytechnical University, School of Astronautics, Xi' an (China); AVIC Beijing Aeronautical Manufacturing Technology Research Institute, Aeronautical Key Laboratory for Welding and Joining Technology, Beijing (China); Xie, Zonghong [Northwestern Polytechnical University, School of Astronautics, Xi' an (China); Jing, Yongjuan [AVIC Beijing Aeronautical Manufacturing Technology Research Institute, Aeronautical Key Laboratory for Welding and Joining Technology, Beijing (China)

2017-07-15

To optimize the Zr content in Ti-based filler metal, the covalent electron on the nearest atoms bond in unit cell (n{sub A}{sup u-v}) with Ti-based BCC structure was calculated, in which the brazing temperature was considered due to its influence on the lattice parameter. Based on EET theory (The Empirical Electron Theory for solid and molecules), n{sub A}{sup u-v} represents the strength of the unit cell with defined element composition and structure, which reflects the effect from solid solution strengthening on the strength of the unit cell. For Ti-Zr-15Cu-10Ni wt% filler metal, it kept constant as 0.3476 with Zr as 37.5 ∝ 45 wt% and decreased to 0.333 with Zr decreasing from 37.5 to 25 wt%. Finally, it increased up to 0.3406 with Zr as 2 ∝ 10 wt%. Thus, Ti-based filler metal with Zr content being 2 ∝ 10 wt% is suggested based on the simulation results. Moreover, the calculated covalent electron of n{sub A}{sup u-v} showed good agreement with the hardness of the joint by filler 37.5Zr and 10Zr. The composition of Ti-10Zr-15Cu-10Ni wt% was verified in this study with higher tensile strength of the brazing joint and uniform microstructure of the interface. (orig.)

Study of structure and surface morphology of two-layer contact Ti/Al metallization

Directory of Open Access Journals (Sweden)

Kirill D. Vanyukhin

2016-06-01

Full Text Available Ti/Al/Ni/Au metallization widely used in the technology of GaN base devices have a very important imperfection i.e. rough surface. There are different opinions about the causes of this imperfection: balling-up of molten aluminum or the appearance of intermetallic melt phases in the Au–Al system. To check the effect of the former cause, we have studied the formation of rough surface after annealing of Ti/Al metallization which is used as a basis of many metallization systems for GaN. The substrates were made from silicon wafers covered with Si3N4 films (0.15 μm. On these substrates we deposited the Ti(12 nm/Al(135 nm metallization system. After the deposition the substrates were annealed in nitrogen for 30 s at 850 °С. The as-annealed specimens were tested for metallization sheet resistivity, appearance and surface morphology. We have shown that during annealing of the Ti/Al metallization system, mutual diffusion of the metals and their active interaction with the formation of intermetallic phases occur. This makes the metallization system more resistant to subsequent annealing, oxidation and chemical etching. After annealing the surface of the Ti/Al metallization system becomes gently matted. However, large hemispherical convex areas (as in the Ti/Al/Ni/Au metallization system do not form. Thus, the hypothesis on the balling-up of molten aluminum on the surface of the Ti/Al metallization system has not been confirmed.

Nanopatterned bulk metallic glass-based biomaterials modulate macrophage polarization.

Science.gov (United States)

Shayan, Mahdis; Padmanabhan, Jagannath; Morris, Aaron H; Cheung, Bettina; Smith, Ryan; Schroers, Jan; Kyriakides, Themis R

2018-06-01

Polarization of macrophages by chemical, topographical and mechanical cues presents a robust strategy for designing immunomodulatory biomaterials. Here, we studied the ability of nanopatterned bulk metallic glasses (BMGs), a new class of metallic biomaterials, to modulate murine macrophage polarization. Cytokine/chemokine analysis of IL-4 or IFNγ/LPS-stimulated macrophages showed that the secretion of TNF-α, IL-1α, IL-12, CCL-2 and CXCL1 was significantly reduced after 24-hour culture on BMGs with 55 nm nanorod arrays (BMG-55). Additionally, under these conditions, macrophages increased phagocytic potential and exhibited decreased cell area with multiple actin protrusions. These in vitro findings suggest that nanopatterning can modulate biochemical cues such as IFNγ/LPS. In vivo evaluation of the subcutaneous host response at 2 weeks demonstrated that the ratio of Arg-1 to iNOS increased in macrophages adjacent to BMG-55 implants, suggesting modulation of polarization. In addition, macrophage fusion and fibrous capsule thickness decreased and the number and size of blood vessels increased, which is consistent with changes in macrophage responses. Our study demonstrates that nanopatterning of BMG implants is a promising technique to selectively polarize macrophages to modulate the immune response, and also presents an effective tool to study mechanisms of macrophage polarization and function. Implanted biomaterials elicit a complex series of tissue and cellular responses, termed the foreign body response (FBR), that can be influenced by the polarization state of macrophages. Surface topography can influence polarization, which is broadly characterized as either inflammatory or repair-like. The latter has been linked to improved outcomes of the FBR. However, the impact of topography on macrophage polarization is not fully understood, in part, due to a lack of high moduli biomaterials that can be reproducibly processed at the nanoscale. Here, we studied

Development of friction welding process of Zr-based bulk metallic glasses

International Nuclear Information System (INIS)

Shin, Hyung Seop; Jeong, Young Jin; Kim, Ki Hyun

2004-01-01

Bulk Metallic Glasses(BMG) with good mechanical properties have problems that engineering application fields have been limited because of limitation of the alloy size. In order to solving this problem, the friction welding of BMG has been tried using the superplastic-like deformation behavior under the supercooled liquid region. The apparatus for friction welding test was designed and constructed using pneumatic cylinder and gripper based on a conventional lathe. Friction welding have been tried to combination of same BMG alloy and crystalline alloys. The results of welding test were evaluated by X-ray diffraction, measurement of hardness and mechanical properties test. In order to obtain the optimized welding test conditions the temperature of friction interface was measured using Infrared thermal imager

Strategies to prepare TiO2 thin films, doped with transition metal ions, that exhibit specific physicochemical properties to support osteoblast cell adhesion and proliferation

International Nuclear Information System (INIS)

Dhayal, Marshal; Kapoor, Renu; Sistla, Pavana Goury; Pandey, Ravi Ranjan; Kar, Satabisha; Saini, Krishan Kumar; Pande, Gopal

2014-01-01

Metal ion doped titanium oxide (TiO 2 ) thin films, as bioactive coatings on metal or other implantable materials, can be used as surfaces for studying the cell biological properties of osteogenic and other cell types. Bulk crystallite phase distribution and surface carbon–oxygen constitution of thin films, play an important role in determining the biological responses of cells that come in their contact. Here we present a strategy to control the polarity of atomic interactions between the dopant metal and TiO 2 molecules and obtain surfaces with smaller crystallite phases and optimal surface carbon–oxygen composition to support the maximum proliferation and adhesion of osteoblast cells. Our results suggest that surfaces, in which atomic interactions between the dopant metals and TiO 2 were less polar, could support better adhesion, spreading and proliferation of cells. - Highlights: • Electrochemical properties of dopants control the nature of TiO 2 thin films. • A model explains the correlation of dopant properties and behaviour of TiO 2 films. • Dopants with less polar interaction with TiO 2 exhibit better biological activity

Wettability between TiN,TiC Containing Carbon Composite Refractory and Molten Slag or Hot Metal

Institute of Scientific and Technical Information of China (English)

SHIYue－xun; LIYingand; 等

1994-01-01

In order to develop a new-type TiC-TiN containing carbon composite refractory so as to improve the service life of blast furnace hearth,the wettability between the carbon refractory and molten slag or metal has been mea-sured.It was indicated that the carbon refractory is wet-ted by slag(θ≤90°） when(TiC+TiN)>33.52%,The effects of TiN or TiC on wetting behavior are basi-cally identical.When the amount of TiC in the carbon com-posite refractory is greater than 60% it will be wetted by hot metal;therefore,the carbon composite refractory will be wetted by slag but not permeated by hot metal when the amount of TiC is restricted.

Fabricating Zr-Based Bulk Metallic Glass Microcomponent by Suction Casting Using Silicon Micromold

Directory of Open Access Journals (Sweden)

Zhijing Zhu

2014-08-01

Full Text Available A suction casting process for fabricating Zr55Cu30Al10Ni5 bulk metallic glass microcomponent using silicon micromold has been studied. A complicated BMG microgear with 50 μm in module has been cast successfully. Observed by scanning electron microscopy and laser scanning confocal microscopy, we find that the cast microgear duplicates the silicon micromold including the microstructure on the surface. The amorphous state of the microgear is confirmed by transmission election microscopy. The nanoindentation hardness and elasticity modulus of the microgear reach 6.5 GPa and 94.5 GPa. The simulation and experimental results prove that the suction casting process with the silicon micromold is a promising one-step method to fabricate bulk metallic glass microcomponents with high performance for applications in microelectromechanical system.

Micro-arc oxidation of Ti-15Zr-based alloys for osseointegrative implants

International Nuclear Information System (INIS)

Correa, Diego Rafael Nespeque; Rocha, Luis Augusto; Doi, Hisashi; Tsutsumi, Yusuke; Hanawa, Takao

2016-01-01

Full text: Micro-arc oxidation (MAO) is well-known as low-cost coating technique which can produce porous structure in valve metals [1]. Studies have indicated that MAOcoatings are suitable for improve biofunctionalization of Ti-based implants by bioactive ions incorporation in the oxide layer [2]. This work aims to evaluate the characteristics of the MAO-coating in recent developed biomedical Ti-15Zr-based alloys in order to use as osseointegrative implants. Ti-15Zr-xMo (x = 0, 5, 10 and 15 % wt.) alloys were produced by argon arc-melting and molded in a centrifugal casting machine. MAO treatment were performed in disks (ϕ 8 mm x 1.5 mm), at room temperature, with a 304 stainless steel plate as counter electrode. Electrolyte was composed by 0.15 M calcium acetate and 0.10 M calcium glycerophosphate. The electrodes were connected to a DC power supply, and applied a density current of 311 A/m 2 , for 10 min, with voltages of 300, 350 and 400 V. Morphology, thickness, composition and crystal structure of the oxide layer were evaluated by SEM, XRF and XRD techniques. A typical porous layer was produced in all surfaces, being the porosity, porous size and thickness increased with the voltage. The composition of the oxide layer indicated Ca and P incorporation, being the concentration increased with the voltage applied. The XRD patterns do not exhibited peaks from oxides compounds, but only peaks from bulk-Ti phases. The results showed that the bioactive coatings were successfully growth in the Ti-15Zr-based alloys, being suitable for osseointegrative implants. References: [1] Hanawa, T. Japanese dental Science Review 46, 93-101, 2010; [2] Tsutsumi, Y. et al. Metals 6, 76-85, 2016. (author)

Micro-arc oxidation of Ti-15Zr-based alloys for osseointegrative implants

Energy Technology Data Exchange (ETDEWEB)

Correa, Diego Rafael Nespeque; Rocha, Luis Augusto [Universidade Estadual Paulista Julio de Mesquita Filho (UNESP), Bauru, SP (Brazil); Doi, Hisashi; Tsutsumi, Yusuke; Hanawa, Takao [Tokyo Medical and Dental University (Japan)

2016-07-01

Full text: Micro-arc oxidation (MAO) is well-known as low-cost coating technique which can produce porous structure in valve metals [1]. Studies have indicated that MAOcoatings are suitable for improve biofunctionalization of Ti-based implants by bioactive ions incorporation in the oxide layer [2]. This work aims to evaluate the characteristics of the MAO-coating in recent developed biomedical Ti-15Zr-based alloys in order to use as osseointegrative implants. Ti-15Zr-xMo (x = 0, 5, 10 and 15 % wt.) alloys were produced by argon arc-melting and molded in a centrifugal casting machine. MAO treatment were performed in disks (ϕ 8 mm x 1.5 mm), at room temperature, with a 304 stainless steel plate as counter electrode. Electrolyte was composed by 0.15 M calcium acetate and 0.10 M calcium glycerophosphate. The electrodes were connected to a DC power supply, and applied a density current of 311 A/m{sup 2}, for 10 min, with voltages of 300, 350 and 400 V. Morphology, thickness, composition and crystal structure of the oxide layer were evaluated by SEM, XRF and XRD techniques. A typical porous layer was produced in all surfaces, being the porosity, porous size and thickness increased with the voltage. The composition of the oxide layer indicated Ca and P incorporation, being the concentration increased with the voltage applied. The XRD patterns do not exhibited peaks from oxides compounds, but only peaks from bulk-Ti phases. The results showed that the bioactive coatings were successfully growth in the Ti-15Zr-based alloys, being suitable for osseointegrative implants. References: [1] Hanawa, T. Japanese dental Science Review 46, 93-101, 2010; [2] Tsutsumi, Y. et al. Metals 6, 76-85, 2016. (author)

High performance bulk metallic glass/carbon nanotube composite cathodes for electron field emission

International Nuclear Information System (INIS)

Hojati-Talemi, Pejman; Gibson, Mark A.; East, Daniel; Simon, George P.

2011-01-01

We report the preparation of new nanocomposites based on a combination of bulk metallic glass and carbon nanotubes for electron field emission applications. The use of bulk metallic glass as the matrix ensures high electrical and thermal conductivity, high thermal stability, and ease of processing, whilst the well dispersed carbon nanotubes act as highly efficient electron emitters. These advantages, alongside excellent electron emission properties, make these composites one of the best reported options for electron emission applications to date.

High performance bulk metallic glass/carbon nanotube composite cathodes for electron field emission

Energy Technology Data Exchange (ETDEWEB)

Hojati-Talemi, Pejman [Department of Materials Engineering, Monash University, Clayton, Vic 3800 (Australia); Mawson Institute, University of South Australia, Mawson Lakes, SA 5095 (Australia); Gibson, Mark A. [Process Science and Engineering, Commonwealth Scientific and Industrial Research Organisation, Clayton, Vic 3168 (Australia); East, Daniel; Simon, George P. [Department of Materials Engineering, Monash University, Clayton, Vic 3800 (Australia)

2011-11-07

We report the preparation of new nanocomposites based on a combination of bulk metallic glass and carbon nanotubes for electron field emission applications. The use of bulk metallic glass as the matrix ensures high electrical and thermal conductivity, high thermal stability, and ease of processing, whilst the well dispersed carbon nanotubes act as highly efficient electron emitters. These advantages, alongside excellent electron emission properties, make these composites one of the best reported options for electron emission applications to date.

Effect of cooling rate on microstructure and deformation behavior of Ti-based metallic glassy/crystalline powders

Energy Technology Data Exchange (ETDEWEB)

Wang, D.J. [State Key Laboratory of Advanced Welding Production Technology, Harbin Institute of Technology, Harbin 150001 (China); School of Mechanical and Mining Engineering, University of Queensland, Brisbane, QLD 4072 (Australia); Huang, Y.J. [State Key Laboratory of Advanced Welding Production Technology, Harbin Institute of Technology, Harbin 150001 (China); Shen, J., E-mail: junshen@hit.edu.cn [State Key Laboratory of Advanced Welding Production Technology, Harbin Institute of Technology, Harbin 150001 (China); Wu, Y.Q.; Huang, H. [School of Mechanical and Mining Engineering, University of Queensland, Brisbane, QLD 4072 (Australia); Zou, J., E-mail: j.zou@uq.edu.au [School of Mechanical and Mining Engineering, University of Queensland, Brisbane, QLD 4072 (Australia); Centre for Microscopy and Microanalysis, University of Queensland, Brisbane, QLD 4072 (Australia)

2010-08-20

The microstructures and deformation behavior of Ti-based metallic powders were comprehensively investigated. It has been found that, with increasing the powder size, the phase constituent alters from pure glassy to glassy with crystalline phases (face centered cubic structured NiSnZr and hexagonal structured Ti{sub 3}Sn phases). Our results suggest that the synergetic effect of the thermodynamics and kinetics determines the subsequent characteristics of the crystalline precipitations. Through comparative nanoindentation tests, it was found that the small powders exhibit more pop-in events and a larger pile-up ratio, suggesting that the plastic deformation of the metallic powders is governed by the combined effects of the free volume and the crystallization, which are determined by the cooling rate.

Temperature dependence of differential conductance in Co-based Heusler alloy Co2TiSn and superconductor Pb junctions

Science.gov (United States)

Ooka, Ryutaro; Shigeta, Iduru; Umetsu, Rie Y.; Nomura, Akiko; Yubuta, Kunio; Yamauchi, Touru; Kanomata, Takeshi; Hiroi, Masahiko

2018-05-01

We investigated temperature dependence of differential conductance G (V) in planar junctions consisting of Co-based Heusler alloy Co2TiSn and superconductor Pb. Ferromagnetic Co2TiSn was predicted to be half-metal by first-principles band calculations. The spin polarization P of Co2TiSn was deduced to be 60.0% at 1.4 K by the Andreev reflection spectroscopy. The G (V) spectral shape was smeared gradually with increasing temperature and its structure was disappeared above the superconducting transition temperature Tc. Theoretical model analysis revealed that the superconducting energy gap Δ was 1.06 meV at 1.4 K and the Tc was 6.8 K , indicating that both values were suppressed from bulk values. However, the temperature dependent Δ (T) behavior was in good agreement with that of the Bardeen-Cooper-Schrieffer (BCS) theory. The experimental results exhibit that the superconductivity of Pb attached to half-metallic Co2TiSn was kept the conventional BCS mechanism characterized strong-coupling superconductors while its superconductivity was slightly suppressed by the superconducting proximity effect at the Co2TiSn/Pb interface.

Cast bulk metallic glass alloys: prospects as wear materials

Energy Technology Data Exchange (ETDEWEB)

Hawk, Jeffrey A.; Dogan, Omer N.; Shiflet, Gary J. (Dept. of Materials Science and Engineering, University of Virginia, Charlottesville, VA)

2005-01-01

Bulk metallic glasses are single phase materials with unusual physical and mechanical properties. One intriguing area of possible use is as a wear material. Usually, pure metals and single phase dilute alloys do not perform well in tribological conditions. When the metal or alloy is lightweight, it is usually soft leading to galling in sliding situations. For the harder metals and alloys, their density is usually high, so there is an energy penalty when using these materials in wear situations. However, bulk metallic glasses at the same density are usually harder than corresponding metals and dilute single phase alloys, and so could offer better wear resistance. This work will discuss preliminary wear results for metallic glasses with densities in the range of 4.5 to 7.9 g/cc. The wear behavior of these materials will be compared to similar metals and alloys.

47,49Ti NMR: hyperfine interactions in oxides and metals.

Science.gov (United States)

Bastow, T J; Gibson, M A; Forwood, C T

1998-10-01

A 47,49Ti NMR characterisation is given of various polymorphs of TiO2 (anatase, rutile and brookite), Ti2O3, perovskites CaTiO3 and BaTiO3, FeTiO3, TiB2, titanium metal, the titanium aluminides Ti3Al, TiAl, TiAl2, TiAl3, and TiAg. Values of chemical or Knight shift, nuclear quadrupole coupling constant and asymmetry parameter were derived from the (1/2, -1/2) powder lineshapes. For TiB2, titanium metal, TiAl, and TiAl3, where +/- (1/2, 3/2), and higher satellite transitions were observed, a value for the axial component of the Knight shift was obtained.

New Developments of Ti-Based Alloys for Biomedical Applications

Science.gov (United States)

Li, Yuhua; Yang, Chao; Zhao, Haidong; Qu, Shengguan; Li, Xiaoqiang; Li, Yuanyuan

2014-01-01

Ti-based alloys are finding ever-increasing applications in biomaterials due to their excellent mechanical, physical and biological performance. Nowdays, low modulus β-type Ti-based alloys are still being developed. Meanwhile, porous Ti-based alloys are being developed as an alternative orthopedic implant material, as they can provide good biological fixation through bone tissue ingrowth into the porous network. This paper focuses on recent developments of biomedical Ti-based alloys. It can be divided into four main sections. The first section focuses on the fundamental requirements titanium biomaterial should fulfill and its market and application prospects. This section is followed by discussing basic phases, alloying elements and mechanical properties of low modulus β-type Ti-based alloys. Thermal treatment, grain size, texture and properties in Ti-based alloys and their limitations are dicussed in the third section. Finally, the fourth section reviews the influence of microstructural configurations on mechanical properties of porous Ti-based alloys and all known methods for fabricating porous Ti-based alloys. This section also reviews prospects and challenges of porous Ti-based alloys, emphasizing their current status, future opportunities and obstacles for expanded applications. Overall, efforts have been made to reveal the latest scenario of bulk and porous Ti-based materials for biomedical applications. PMID:28788539

Free volume model: High-temperature deformation of a Zr-based bulk metallic glass

International Nuclear Information System (INIS)

Bletry, M.; Guyot, P.; Blandin, J.J.; Soubeyroux, J.L.

2006-01-01

The homogeneous deformation of a zirconium-based bulk metallic glass is investigated in the glass transition region. Compression tests at different temperatures and strain rates have been conducted. The mechanical behavior is analyzed in the framework of the free volume model, taking into account the dependence of the flow defect concentration on deformation. The activation volume is evaluated and allows one to gather the viscosity data (for the different strain rates and temperatures) on a unique master curve. It is also shown that, due to the relation between flow defect concentration and free volume, it is not possible to deduce the equilibrium flow defect concentration directly from mechanical measurements. However, if this parameter is arbitrarily chosen, mechanical measurements give access to the other parameters of the model, these parameters for the alloy under investigation being of the same order of magnitude as those for other metallic glasses

Corrosion of Metal Inclusions In Bulk Vitrification Waste Packages

Energy Technology Data Exchange (ETDEWEB)

Bacon, Diana H.; Pierce, Eric M.; Wellman, Dawn M.; Strachan, Denis M.; Josephson, Gary B.

2006-07-31

The primary purpose of the work reported here is to analyze the potential effect of the release of technetium (Tc) from metal inclusions in bulk vitrification waste packages once they are placed in the Integrated Disposal Facility (IDF). As part of the strategy for immobilizing waste from the underground tanks at Hanford, selected wastes will be immobilized using bulk vitrification. During analyses of the glass produced in engineering-scale tests, metal inclusions were found in the glass product. This report contains the results from experiments designed to quantify the corrosion rates of metal inclusions found in the glass product from AMEC Test ES-32B and simulations designed to compare the rate of Tc release from the metal inclusions to the release of Tc from glass produced with the bulk vitrification process. In the simulations, the Tc in the metal inclusions was assumed to be released congruently during metal corrosion as soluble TcO4-. The experimental results and modeling calculations show that the metal corrosion rate will, under all conceivable conditions at the IDF, be dominated by the presence of the passivating layer and corrosion products on the metal particles. As a result, the release of Tc from the metal particles at the surfaces of fractures in the glass releases at a rate similar to the Tc present as a soluble salt. The release of the remaining Tc in the metal is controlled by the dissolution of the glass matrix. To summarize, the release of 99Tc from the BV glass within precipitated Fe is directly proportional to the diameter of the Fe particles and to the amount of precipitated Fe. However, the main contribution to the Tc release from the iron particles is over the same time period as the release of the soluble Tc salt. For the base case used in this study (0.48 mass% of 0.5 mm diameter metal particles homogeneously distributed in the BV glass), the release of 99Tc from the metal is approximately the same as the release from 0.3 mass% soluble Tc

Internal shear cracking in bulk metal forming

DEFF Research Database (Denmark)

Christiansen, Peter; Nielsen, Chris Valentin; Bay, Niels Oluf

2017-01-01

This paper presents an uncoupled ductile damage criterion for modelling the opening and propagation of internal shear cracks in bulk metal forming. The criterion is built upon the original work on the motion of a hole subjected to shear with superimposed tensile stress triaxiality and its overall...... performance is evaluated by means of side-pressing formability tests in Aluminium AA2007-T6 subjected to different levels of pre-strain. Results show that the new proposed criterionis able to combine simplicity with efficiency for predicting the onset of fracture and the crack propagation path for the entire...... cracking to internal cracks formed undert hree-dimensional states of stress that are typical of bulk metal forming....

Physical and Chemical Properties of TiOxNy Prepared by Low-Temperature Oxidation of Ultrathin Metal Nitride Directly Deposited on SiO2

Institute of Scientific and Technical Information of China (English)

HAN Yue-Ping; HAN Yan

2009-01-01

Physical and chemical properties of titanium oxynitride (TiOxNy) formed by low-temperature oxidation of titanium nitride (TIN) layer are investigated for advanced metal-oxide--semiconductor (MOS) gate dielectric application.TiOx Ny exhibits polycrystalline properties after the standard thermal process for MOS device fabrication,showing the preferred orientation at [200].Superior electrical properties of TiOxNy can be maintained before and after the annealing,probably due to the nitrogen incorporation in the oxide bulk and at the interface.Naturally formed transition layer between TiOxNy and SiO2 is also confirmed.

Facile Formation of High-quality InGaN/GaN Quantum-disks-in-Nanowires on Bulk-Metal Substrates for High-power Light-emitters

KAUST Repository

Zhao, Chao; Ng, Tien Khee; Wei, Nini; Prabaswara, Aditya; Alias, Mohd Sharizal; Janjua, Bilal; Shen, Chao; Ooi, Boon S.

2016-01-01

High-quality nitride materials grown on scalable and low-cost metallic substrates are considerably attractive for high-power light emitters. We demonstrate here, for the first time, the high-power red (705 nm) InGaN/GaN quantum-disks (Qdisks)-in-nanowire light-emitting diodes (LEDs) self-assembled directly on metal-substrate. The LEDs exhibited a low turn-on voltage of ~2 V without efficiency droop up to injection current of 500 mA (1.6 kA/cm2) at ~5 V. This is achieved through the direct growth and optimization of high-quality nanowires on titanium (Ti) coated bulk polycrystalline-molybdenum (Mo) substrates. We performed extensive studies on the growth mechanisms, obtained high-crystal-quality nanowires, and confirmed the epitaxial relationship between the cubic titanium nitride (TiN) transition layer and the hexagonal nanowires. The growth of nanowires on all-metal stack of TiN/Ti/Mo enables simultaneous implementation of n-metal contact, reflector and heat-sink, which greatly simplifies the fabrication process of high-power light emitters. Our work ushers in a practical platform for high-power nanowires light emitters, providing versatile solutions for multiple cross-disciplinary applications that are greatly enhanced by leveraging on the chemical stability of nitride materials, large specific surface of nanowires, chemical lift-off ready layer structures, and reusable Mo substrates.

Facile Formation of High-quality InGaN/GaN Quantum-disks-in-Nanowires on Bulk-Metal Substrates for High-power Light-emitters

KAUST Repository

Zhao, Chao

2016-01-08

High-quality nitride materials grown on scalable and low-cost metallic substrates are considerably attractive for high-power light emitters. We demonstrate here, for the first time, the high-power red (705 nm) InGaN/GaN quantum-disks (Qdisks)-in-nanowire light-emitting diodes (LEDs) self-assembled directly on metal-substrate. The LEDs exhibited a low turn-on voltage of ~2 V without efficiency droop up to injection current of 500 mA (1.6 kA/cm2) at ~5 V. This is achieved through the direct growth and optimization of high-quality nanowires on titanium (Ti) coated bulk polycrystalline-molybdenum (Mo) substrates. We performed extensive studies on the growth mechanisms, obtained high-crystal-quality nanowires, and confirmed the epitaxial relationship between the cubic titanium nitride (TiN) transition layer and the hexagonal nanowires. The growth of nanowires on all-metal stack of TiN/Ti/Mo enables simultaneous implementation of n-metal contact, reflector and heat-sink, which greatly simplifies the fabrication process of high-power light emitters. Our work ushers in a practical platform for high-power nanowires light emitters, providing versatile solutions for multiple cross-disciplinary applications that are greatly enhanced by leveraging on the chemical stability of nitride materials, large specific surface of nanowires, chemical lift-off ready layer structures, and reusable Mo substrates.

Magneto electric effects in BaTiO3-CoFe2O4 bulk composites

Science.gov (United States)

Agarwal, Shivani; Caltun, O. F.; Sreenivas, K.

2012-11-01

Influence of a static magnetic field (HDC) on the hysteresis and remanence in the longitudinal and transverse magneto electric voltage coefficients (MEVC) observed in [BaTiO3]1-x-[CoFe2O4]x bulk composites are analyzed. Remanence in MEVC at zero bias (HDC=0) is stronger in the transverse configuration over the longitudinal case. The observed hysteretic behavior in MEVC vs. HDC is correlated with the changes observed in the magnetostriction characteristics (λ and dλ/dH) reported for [BaTiO3]1-x-[CoFe2O4]x bulk composites.

Physical factors controlling the ductility of bulk metallic glasses

Energy Technology Data Exchange (ETDEWEB)

Liu, Y. [Central South University, China; Liu, Chain T [ORNL; Zhang, Z. [University of Tennessee, Knoxville (UTK); Keppens, V. [University of Tennessee, Knoxville (UTK)

2008-01-01

In order to identify key physical factor controlling the deformation and fracture behavior of bulk metallic glasses (BMGs), we compiled and analyzed the elastic moduli and compressive ductility for BMGs. In addition, new modulus data were generated in the critical ranges in order to facilitate the analysis. We have found that the intrinsic ductility of BMGs can be correlated with the bulk-to-shear modulus ratio B/G according to Pugh's [Philos. Mag. 45, 823 (1954) ] rule. In some individual BMG systems, for example, Fe based, the relationship seems to be very clear. The physical meaning of this correlation is discussed in terms of atomic bonding and connectivity.

Nonlinear elastic properties of bulk metallic glasses Zr52.5Ti5Cu17.9Ni14.6Al10 and Pd40Cu30Ni10P20

International Nuclear Information System (INIS)

Kobelev, N.P.; Kolyvanov, E.L.; Khonik, V.A.

2005-01-01

The influence of uniaxial compression on the propagation of ultrasonic vibrations in Zr 52.5 Ti 5 Cu 17.9 Ni 14.6 Al 10 and Pd 40 Cu 30 Ni 10 P 20 bulk metallic glasses produced by melt quenching at a rate of 100 K/s is investigated. Elastic deformation was realized by compression of the samples along their long axis up to strains of about 1 GPa. Deriving of major ratios used during the calculation of the third-order elastic moduli of the glasses is described in brief, the results of the calculations being provided. A qualitative agreement between the calculated results and available data on the influence of the uniform pressure on the sound wave propagation rate was obtained [ru

Metal ion induced room temperature phase transformation and stimulated infrared spectroscopy on TiO2-based surfaces

International Nuclear Information System (INIS)

Gole, James L.; Prokes, S.M.; White, Mark G.

2008-01-01

Raman and infrared spectroscopy are used to demonstrate (1) the high spin metal ion induced room temperature transformation of anatase to rutile TiO 2 and (2) the phenomena of stimulated IR spectroscopy induced by simultaneous nitrogen doping and high spin metal ion seeding of a TiO 2 nanocolloid lattice

Anisotropy in elastic properties of TiSi2 (C49, C40 and C54), TiSi and Ti5Si3: an ab-initio density functional study

International Nuclear Information System (INIS)

Niranjan, Manish K

2015-01-01

We present a comparative study of the anisotropy in the elastic properties of the C49, C54 and C40 phases of TiSi 2 , as well as orthorhombic TiSi and hexagonal Ti 5 Si 3 . The elastic constants, elastic moduli, Debye temperature and sound velocities are computed within the framework of density functional theory. The computed values of the elastic constants and moduli are found to be in excellent agreement with available experimental values. The average elastic moduli, such as Young’s modulus, shear modulus, bulk modulus and Poisson’s ratio, of polycrystalline aggregates are computed using the computed elastic constants of single crystals. The anisotropy in elastic properties is analyzed using estimates of shear anisotropic factors, bulk modulus anisotropic factors and variations in Young’s and bulk moduli in different crystallographic directions. Among the Ti–Si phases, the computed directional Young’s modulus profiles of C49 TiSi 2 and C40 TiSi 2 are found to be quite similar to those of bulk Si and Ti, respectively. In addition to the elastic properties, the electronic structure of five Ti–Si phases is studied. The density of states and planar charge density profiles reveal mixed covalent–metallic bonding in all Ti–Si phases. (paper)

Investigation of spin-gapless semiconductivity and half-metallicity in Ti2MnAl-based compounds

International Nuclear Information System (INIS)

Lukashev, P.; Staten, B.; Hurley, N.; Kharel, P.; Gilbert, S.; Fuglsby, R.; Huh, Y.; Valloppilly, S.; Zhang, W.; Skomski, R.; Sellmyer, D. J.; Yang, K.

2016-01-01

The increasing interest in spin-based electronics has led to a vigorous search for new materials that can provide a high degree of spin polarization in electron transport. An ideal candidate would act as an insulator for one spin channel and a conductor or semiconductor for the opposite spin channel, corresponding to the respective cases of half-metallicity and spin-gapless semiconductivity. Our first-principle electronic-structure calculations indicate that the metallic Heusler compound Ti 2 MnAl becomes half-metallic and spin-gapless semiconducting if half of the Al atoms are replaced by Sn and In, respectively. These electronic structures are associated with structural transitions from the regular cubic Heusler structure to the inverted cubic Heusler structure.

Improvement of corrosion resistance in NaOH solution and glass forming ability of as-cast Mg-based bulk metallic glasses by microalloying

Directory of Open Access Journals (Sweden)

Peng Hao

2011-02-01

Full Text Available The influences of the addition of Ag on the glass forming ability (GFA and corrosion behavior were investigated in the Mg-Ni-based alloy system by X-ray diffraction (XRD and electrochemical polarization in 0.1 mol/L NaOH solution. Results shows that the GFA of the Mg-Ni-based BMGs can be improved dramatically by the addition of an appropriate amount of Ag; and the addition element Ag can improve the corrosion resistance of Mg-Ni-based bulk metallic glass. The large difference in atomic size and large negative mixing enthalpy in alloy system can contribute to the high GFA. The addition element Ag improves the forming speed and the stability of the passive film, which is helpful to decrease the passivation current density and to improve the corrosion resistance of Mg-Ni-based bulk metallic glass.

Optical and structural properties of TiO2/Ti/Ag/TiO2 and TiO2/ITO/Ag/ITO/TiO2 metal-dielectric multilayers by RF magnetron sputtering for display application

International Nuclear Information System (INIS)

Lee, Jang-Hoon; Lee, Seung-Hyu; Hwangbo, Chang-Kwon; Lee, Kwang-Su

2004-01-01

Electromagnetic-interference (EMI) shielding and near-infrared (NIR) cutoff filters for plasma display panels, based on fundamental structures (ITO/Ag/ITO), (TiO 2 /Ti/Ag/TiO 2 ) and (TiO 2 /ITO/Ag/ITO/TiO 2 ), were designed and prepared by RF-magnetron sputtering. The optical, structural and electrical properties of the filters were investigated by using spectrophotometry, Auger electron spectroscopy, X-ray photoelectron spectroscopy, Rutherford backscattering spectroscopy, atomic force microscopy and four-point-probe measurements. The results show that ITO films as the barriers and base layers lead to higher transmittance in the visible spectrum and smoother surface roughness than Ti metal barriers, while maintaining high NIR cutoff characteristics and chemical stability, which may be attributed to the lower absorption in the interfacial layers and better protection of the Ag layers by the ITO layers.

Multistep structural transition of hydrogen trititanate nanotubes into TiO2-B nanotubes: a comparison study between nanostructured and bulk materials

International Nuclear Information System (INIS)

Morgado, Edisson Jr; Jardim, P M; Marinkovic, Bojan A; Rizzo, Fernando C; Abreu, Marco A S de; Zotin, Jose L; Araujo, Antonio S

2007-01-01

H-trititanate nanotubes obtained by alkali hydrothermal treatment of TiO 2 followed by proton exchange were compared to their bulk H 2 Ti 3 O 7 counterpart with respect to their thermally induced structural transformation paths. As-synthesized and heat-treated samples were characterized by XRD, TEM/SAED, DSC and spectroscopy techniques, indicating that H 2 Ti 3 O 7 nanotubes showed the same sequence of structural transformations as their bulk counterpart obtained by conventional solid state reaction. Nanostructured H 2 Ti 3 O 7 converts into TiO 2 (B) via multistep transformation without losing its nanotubular morphology. The transformation occurs between 120 and 400 deg. C through topotactic mechanisms with the intermediate formation of nanostructured H 2 Ti 6 O 13 and H 2 Ti 12 O 25 , which are more condensed layered titanates eventually rearranging to TiO 2 (B). Our results suggest that the intermediate tunnel structure H 2 Ti 12 O 25 is the final layered intermediate phase, on which TiO 2 (B) nucleates and grows. The conversion of nanostructured TiO 2 (B) into anatase is completed at a much lower temperature than its bulk counterpart and is accompanied by loss of the nanotubular morphology

Multistep structural transition of hydrogen trititanate nanotubes into TiO2-B nanotubes: a comparison study between nanostructured and bulk materials.

Science.gov (United States)

Morgado, Edisson; Jardim, P M; Marinkovic, Bojan A; Rizzo, Fernando C; de Abreu, Marco A S; Zotin, José L; Araújo, Antonio S

2007-12-12

H-trititanate nanotubes obtained by alkali hydrothermal treatment of TiO(2) followed by proton exchange were compared to their bulk H(2)Ti(3)O(7) counterpart with respect to their thermally induced structural transformation paths. As-synthesized and heat-treated samples were characterized by XRD, TEM/SAED, DSC and spectroscopy techniques, indicating that H(2)Ti(3)O(7) nanotubes showed the same sequence of structural transformations as their bulk counterpart obtained by conventional solid state reaction. Nanostructured H(2)Ti(3)O(7) converts into TiO(2)(B) via multistep transformation without losing its nanotubular morphology. The transformation occurs between 120 and 400 degrees C through topotactic mechanisms with the intermediate formation of nanostructured H(2)Ti(6)O(13) and H(2)Ti(12)O(25), which are more condensed layered titanates eventually rearranging to TiO(2)(B). Our results suggest that the intermediate tunnel structure H(2)Ti(12)O(25) is the final layered intermediate phase, on which TiO(2)(B) nucleates and grows. The conversion of nanostructured TiO(2)(B) into anatase is completed at a much lower temperature than its bulk counterpart and is accompanied by loss of the nanotubular morphology.

Multistep structural transition of hydrogen trititanate nanotubes into TiO2-B nanotubes: a comparison study between nanostructured and bulk materials

Science.gov (United States)

Morgado, Edisson, Jr.; Jardim, P. M.; Marinkovic, Bojan A.; Rizzo, Fernando C.; de Abreu, Marco A. S.; Zotin, José L.; Araújo, Antonio S.

2007-12-01

H-trititanate nanotubes obtained by alkali hydrothermal treatment of TiO2 followed by proton exchange were compared to their bulk H2Ti3O7 counterpart with respect to their thermally induced structural transformation paths. As-synthesized and heat-treated samples were characterized by XRD, TEM/SAED, DSC and spectroscopy techniques, indicating that H2Ti3O7 nanotubes showed the same sequence of structural transformations as their bulk counterpart obtained by conventional solid state reaction. Nanostructured H2Ti3O7 converts into TiO2(B) via multistep transformation without losing its nanotubular morphology. The transformation occurs between 120 and 400 °C through topotactic mechanisms with the intermediate formation of nanostructured H2Ti6O13 and H2Ti12O25, which are more condensed layered titanates eventually rearranging to TiO2(B). Our results suggest that the intermediate tunnel structure H2Ti12O25 is the final layered intermediate phase, on which TiO2(B) nucleates and grows. The conversion of nanostructured TiO2(B) into anatase is completed at a much lower temperature than its bulk counterpart and is accompanied by loss of the nanotubular morphology.

Thermoplastic deformation of ferromagnetic CoFe-based bulk metallic glasses

Science.gov (United States)

Wu, Chenguang; Hu, Renchao; Man, Qikui; Chang, Chuntao; Wang, Xinmin

2017-12-01

The superplastic deformation behavior of the ferromagnetic Co31Fe31Nb8B30 bulk metallic glass (BMG) in the supercooled liquid region was investigated. At a given temperature, the BMG exhibits a Newtonian behavior at low strain rates but a non-Newtonian behavior at high strain rates. The high thermal stability of this glassy alloy system offers an enough processing window to thermoplastic forming (TPF), and the strong processing ability was examined by simple micro-replication experiments. It is demonstrated that the TPF formability on length scales ranging down to nanometers can be achieved in the selected experimental condition. Based on the analysis of deformation behavior, the nearly full density sample (i.e. nearly 100%), was produced from water-atomized glassy powders and consolidated by the hot-pressing technique. The sample exhibits good soft-magnetic and mechanical properties, i.e., low coercive force of 0.43 Oe, high initial permeability of 4100 and high Vickers hardness 1398. These results suggest that the hot-pressing process opens up possibilities for the commercial exploitation of BMGs in engineering applications.

Caltech Center for Structural and Amorphous Metals

Science.gov (United States)

2005-05-10

Flores, D. Suh, R. Howell, P. Asoka -Kumar, P.A. Sterne, and R. H. Dauskardt, "Flow and Fracture of Bulk Metallic Glass Alloys and Their Composites...Behavior of Zr-Ti-Cu-Ni-Be Bulk Metallic Glass Alloys," Materials Transactions, JIM, 42 [4], 638-641, 2001. K. M. Flores, D. Suh, P. Asoka -Kumar, P.A...Materials Research, 17[5], 1153-1161, 2002. D. Suh, P. Asoka -Kumar and R. H. Dauskardt, "The Effects of Hydrogen on Viscoelastic Relaxation in Zr-Ti-Ni-Cu

Spectral descriptors for bulk metallic glasses based on the thermodynamics of competing crystalline phases

OpenAIRE

Perim, Eric; Lee, Dongwoo; Liu, Yanhui; Toher, Cormac; Gong, Pan; Li, Yanglin; Simmons, W. Neal; Levy, Ohad; Vlassak, Joost J.; Schroers, Jan; Curtarolo, Stefano

2016-01-01

Metallic glasses have attracted considerable interest in recent years due to their unique combination of superb properties and processability. Predicting bulk metallic glass formers from known parameters remains a challenge and the search for new systems is still performed by trial and error. It has been speculated that some sort of "confusion" during crystallization of the crystalline phases competing with glass formation could play a key role. Here, we propose a heuristic descriptor quantif...

Cu-Zr-Ag bulk metallic glasses based on Cu8Zr5 icosahedron

International Nuclear Information System (INIS)

Xia Junhai; Qiang Jianbing; Wang Yingmin; Wang Qing; Dong Chuang

2007-01-01

Based on the cluster line criterion, the Ag addition into the Cu 8 Zr 5 cluster composition is investigated for the search of ternary Cu-Zr-Ag bulk metallic glasses with high glass forming abilities. Two initial binary compositions Cu 0.618 Zr 0.382 and Cu 0.64 Zr 0.36 are selected. The former one corresponds to a deep eutectic point; it is also the composition of the Cu 8 Zr 5 icosahedron, which is derived from the Cu 8 Zr 3 structure. The latter one, which can be regarded as the Cu 8 Zr 5 cluster plus a glue atom Cu, is the best glass-forming composition in the Cu-Zr binary system. Two composition lines (Cu 0.618 Zr 0.382 ) 1-x Ag x and (Cu 0.64 Zr 0.36 ) 1-x Ag x are thus constructed in the Cu-Zr-Ag system by linking these two compositions with the third constitute Ag. A series of Cu-Zr-Ag bulk metallic glasses are found with 2-8 at.% Ag contents in both composition lines. The optimum composition (Cu 0.618 Zr 0.382 ) 0.92 Ag 0.08 within the searched region with the highest T g /T l = 0.633, is located along the cluster line (Cu 0.618 Zr 0.382 ) 1-x Ag x , where the deep eutectic Cu 0.618 Zr 0.382 exactly corresponds to the dense packing cluster Cu 8 Zr 5 . The alloying mechanism is discussed in the light of atomic size and electron concentration factors

Linking structure to fragility in bulk metallic glass-forming liquids

International Nuclear Information System (INIS)

Wei, Shuai; Stolpe, Moritz; Gross, Oliver; Gallino, Isabella; Hembree, William; Busch, Ralf; Evenson, Zach; Bednarcik, Jozef; Kruzic, Jamie J.

2015-01-01

Using in-situ synchrotron X-ray scattering, we show that the structural evolution of various bulk metallic glass-forming liquids can be quantitatively connected to their viscosity behavior in the supercooled liquid near T g . The structural signature of fragility is identified as the temperature dependence of local dilatation on distinct key atomic length scales. A more fragile behavior results from a more pronounced thermally induced dilatation of the structure on a length scale of about 3 to 4 atomic diameters, coupled with shallower temperature dependence of structural changes in the nearest neighbor environment. These findings shed light on the structural origin of viscous slowdown during undercooling of bulk metallic glass-forming liquids and demonstrate the promise of predicting the properties of bulk metallic glasses from the atomic scale structure

Linking structure to fragility in bulk metallic glass-forming liquids

Energy Technology Data Exchange (ETDEWEB)

Wei, Shuai, E-mail: shuai.wei@asu.edu, E-mail: m.stolpe@mx.uni-saarland.de [Department of Materials Science and Engineering, Saarland University, Campus C63, 66123 Saarbrücken (Germany); Department of Chemistry and Biochemistry, Arizona State University, Tempe, Arizona 85287 (United States); Stolpe, Moritz, E-mail: shuai.wei@asu.edu, E-mail: m.stolpe@mx.uni-saarland.de; Gross, Oliver; Gallino, Isabella; Hembree, William; Busch, Ralf [Department of Materials Science and Engineering, Saarland University, Campus C63, 66123 Saarbrücken (Germany); Evenson, Zach [Department of Materials Science and Engineering, Saarland University, Campus C63, 66123 Saarbrücken (Germany); Institut für Materialphysik im Weltraum, Deutsches Zentrum für Luft- und Raumfahrt (DLR), 51170 Köln (Germany); Bednarcik, Jozef [Deutsches Elektronen-Synchrotron DESY, Notkestrasse 85, D-22603 Hamburg (Germany); Kruzic, Jamie J. [Material Science, School of Mechanical, Industrial, and Manufacturing Engineering, Oregon State University, Corvallis, Oregon 97331 (United States)

2015-05-04

Using in-situ synchrotron X-ray scattering, we show that the structural evolution of various bulk metallic glass-forming liquids can be quantitatively connected to their viscosity behavior in the supercooled liquid near T{sub g}. The structural signature of fragility is identified as the temperature dependence of local dilatation on distinct key atomic length scales. A more fragile behavior results from a more pronounced thermally induced dilatation of the structure on a length scale of about 3 to 4 atomic diameters, coupled with shallower temperature dependence of structural changes in the nearest neighbor environment. These findings shed light on the structural origin of viscous slowdown during undercooling of bulk metallic glass-forming liquids and demonstrate the promise of predicting the properties of bulk metallic glasses from the atomic scale structure.

Elementary characterization of Ti metal alloys used in implant dentistry

Energy Technology Data Exchange (ETDEWEB)

Torres, Catarina A. M. P.; Paschuk, Sergei A.; Rocha, Anna S. S.; Corrêa, Janine Nicolosi [Universidade Tecnologica Federal do Parana (UTFPR), Curitiba, PR (Brazil); Deniak, Valeriy [Instituto de Pesquisa Pelé Pequeno Príncipe, Curitiba, PR (Brazil); Camargo, Liliane [Universidade Paranaense, Umuarama, PR (Brazil); Assis, J.T, E-mail: cata-montenegro@bol.com.br, E-mail: spaschuk@gmail.com, E-mail: denyak@gmail.com, E-mail: lili_camargo2@hotmail.com, E-mail: joaquim@iprj.uerj.br [Universidade do Estado do Rio de Janeiro (UERJ), Nova Friburgo, RJ (Brazil)

2017-07-01

The main goal of present work is analytical characterization of standard dental implants broadly used by Brazilian dentists. An ideal biological alloy for dental implants must have very high biocompatibility, which means that such material should not provoke any serious adverse tissue response. Dental implants are generally marketed as commercially pure titanium (TiCP) due to their excellent mechanical and physical properties. However, sometimes other alloys are employed and consequently it is essential to study the chemical elements present in those alloys that could bring prejudice for the health. Present work investigated TiCP metal alloys used for dental implant manufacturing and evaluated the presence of elements. For alloy characterization and identification of elements it was used EDXRF technique. This method allows to perform the qualitative and quantitative analysis of the materials using the spectra of the characteristic X-rays emitted by the elements present in the metal samples. The experimental setup was based on two X- ray tubes, Mini X model with Ag and Au targets and X-123SDD detector (AMPTEK) and a 0.5 mm Cu collimator, developed due to specific sample geometrical and topography characteristics. Obtained results showed that implant alloys are not exactly TiCP but were manufactured using Ti-Al-V alloy, which contained Fe, Ni, Cu and Zn. The presence of such metals as Al and V in all studied samples shows very clear that studied implants were not manufactured from TiCP alloy. Moreover, according to the American Society for Testing and Materials (ASTM), these elements should not be present in TiCP. (author)

Elementary characterization of Ti metal alloys used in implant dentistry

International Nuclear Information System (INIS)

Torres, Catarina A. M. P.; Paschuk, Sergei A.; Rocha, Anna S. S.; Corrêa, Janine Nicolosi; Deniak, Valeriy; Camargo, Liliane; Assis, J.T

2017-01-01

The main goal of present work is analytical characterization of standard dental implants broadly used by Brazilian dentists. An ideal biological alloy for dental implants must have very high biocompatibility, which means that such material should not provoke any serious adverse tissue response. Dental implants are generally marketed as commercially pure titanium (TiCP) due to their excellent mechanical and physical properties. However, sometimes other alloys are employed and consequently it is essential to study the chemical elements present in those alloys that could bring prejudice for the health. Present work investigated TiCP metal alloys used for dental implant manufacturing and evaluated the presence of elements. For alloy characterization and identification of elements it was used EDXRF technique. This method allows to perform the qualitative and quantitative analysis of the materials using the spectra of the characteristic X-rays emitted by the elements present in the metal samples. The experimental setup was based on two X- ray tubes, Mini X model with Ag and Au targets and X-123SDD detector (AMPTEK) and a 0.5 mm Cu collimator, developed due to specific sample geometrical and topography characteristics. Obtained results showed that implant alloys are not exactly TiCP but were manufactured using Ti-Al-V alloy, which contained Fe, Ni, Cu and Zn. The presence of such metals as Al and V in all studied samples shows very clear that studied implants were not manufactured from TiCP alloy. Moreover, according to the American Society for Testing and Materials (ASTM), these elements should not be present in TiCP. (author)

The effect of nanocrystallization and free volume on the room temperature plasticity of Zr-based bulk metallic glasses

International Nuclear Information System (INIS)

Mondal, K.; Ohkubo, T.; Toyama, T.; Nagai, Y.; Hasegawa, M.; Hono, K.

2008-01-01

To understand the mechanism of the room temperature plasticity of bulk metallic glasses (BMGs), microstructure observations, density measurements and positron annihilation studies were carried out for Zr-based BMGs cast at various temperatures and post-annealed under different conditions. We found that higher casting temperatures cause partial crystallization, which enhance the plasticity as long as the volume fraction of the crystalline phase is low. However, a similar nanocrystalline microstructure produced by post-annealing often leads to a large loss of plasticity, while certain conditions enhance the plasticity. Based on density measurements and positron annihilation lifetime spectroscopy, we conclude that the relative contribution of free volume and nanocrystallization is important for acquiring plasticity in metallic glasses

Ion beam sputter deposited TiAlN films for metal-insulator-metal (Ba,Sr)TiO3 capacitor application

International Nuclear Information System (INIS)

Lee, S.-Y.; Wang, S.-C.; Chen, J.-S.; Huang, J.-L.

2008-01-01

The present study evaluated the feasibility of TiAlN films deposited using the ion beam sputter deposition (IBSD) method for metal-insulator-metal (MIM) (Ba,Sr)TiO 3 (BST) capacitors. The BST films were crystallized at temperatures above 650 deg. C. TiAlN films deposited using the IBSD method were found having smooth surface and low electrical resistivity at high temperature conditions. TiAlN films showed a good diffusion barrier property against BST components. The J-E (current density-electric field) characteristics of Al/BST/TiAlN capacitors were good, with a high break down electric field of ± 2.5 MV/cm and a leakage current density of about 1 x 10 -5 A/cm 2 at an applied field of ± 0.5 MV/cm. Thermal stress and lateral oxidation that occurred at the interface damaged the capacitor stacking structure. Macro holes that dispersed on the films resulted in higher leakage current and inconsistent J-E characteristics. Vacuum annealing with lower heating rate and furnace cooling, and a Ti-Al adhesion layer between TiAlN and the SiO 2 /Si substrate can effectively minimize the stress effect. TiAlN film deposited using IBSD can be considered as a potential electrode and diffusion barrier material for MIM BST capacitors

Transparent conductive electrodes of mixed TiO2−x–indium tin oxide for organic photovoltaics

KAUST Repository

Lee, Kyu-Sung; Lim, Jong-Wook; Kim, Han-Ki; Alford, T. L.; Jabbour, Ghassan E.

2012-01-01

A transparent conductive electrode of mixed titanium dioxide (TiO2−x)–indium tin oxide (ITO) with an overall reduction in the use of indium metal is demonstrated. When used in organic photovoltaicdevices based on bulk heterojunction photoactive

Forming of bulk metallic glass microcomponents

DEFF Research Database (Denmark)

Wert, John A.; Thomsen, Christian; Jensen, Rune Debel

2009-01-01

The present article considers forward extrusion, closed-die forging and backward extrusion processes for fabrication of individual microcomponents from two bulk metallic glass (BMG) compositions: Mg60Cu30Y10 and Zr44Cu40Ag8Al8. Two types of tooling were used in the present work: relatively massive...... die sets characteristic of cold forming operations for crystalline metals and lightweight die sets adapted to the special characteristics of BMGs. In addition to demonstrating that microcomponents of several geometries can be readily fabricated from BMGs, rheological properties are combined...

In situ TEM observations of unusual nanocrystallization in a Ti-based bulk metallic glass

International Nuclear Information System (INIS)

Yan, M.; Wang, D.J.; Shen, J.; Qian, M.

2011-01-01

In situ transmission electron microscopy (TEM) has been used to witness the nanocrystallization of amorphous Ti 42.5 Cu 40 Zr 10 Ni 5 Sn 2.5 . A crystallization front exists to separate the TEM sample into two parts with different thermal stabilities. The number density of the crystallization products varies significantly, with the precipitate sizes ranging from a few nanometres to ∼100 nm. Detailed TEM analysis suggests that oxygen is the most likely reason for realizing the unusual nanocrystallization. External thermal analysis also indicates that oxygen affects the crystallization.

Electrostatic analysis of n-doped SrTiO3 metal-insulator-semiconductor systems

International Nuclear Information System (INIS)

Kamerbeek, A. M.; Banerjee, T.; Hueting, R. J. E.

2015-01-01

Electron doped SrTiO 3 , a complex-oxide semiconductor, possesses novel electronic properties due to its strong temperature and electric-field dependent permittivity. Due to the high permittivity, metal/n-SrTiO 3 systems show reasonably strong rectification even when SrTiO 3 is degenerately doped. Our experiments show that the insertion of a sub nanometer layer of AlO x in between the metal and n-SrTiO 3 interface leads to a dramatic reduction of the Schottky barrier height (from around 0.90 V to 0.25 V). This reduces the interface resistivity by 4 orders of magnitude. The derived electrostatic analysis of the metal-insulator-semiconductor (n-SrTiO 3 ) system is consistent with this trend. When compared with a Si based MIS system, the change is much larger and mainly governed by the high permittivity of SrTiO 3 . The non-linear permittivity of n-SrTiO 3 leads to unconventional properties such as a temperature dependent surface potential non-existent for semiconductors with linear permittivity such as Si. This allows tuning of the interfacial band alignment, and consequently the Schottky barrier height, in a much more drastic way than in conventional semiconductors

AC Calorimetry and Thermophysical Properties of Bulk Glass-Forming Metallic Liquids

Science.gov (United States)

Johnson, William L.

2000-01-01

Thermo-physical properties of two bulk metallic glass forming alloys, Ti34Zr11Cu47Ni8 (VIT 101) and Zr57Nb5Ni12.6Al10CU15.4 (VIT 106), were investigated in the stable and undercooled melt. Our investigation focused on measurements of the specific heat in the stable and undercooled liquid using the method of AC modulation calorimetry. The VIT 106 exhibited a maximum undercooling of 140 K in free radiative cooling. Specific heat measurements could be performed in stable melt down to an undercooling of 80 K. Analysis of the specific heat data indicate an anomaly near the equilibrium liquidus temperature. This anomaly is also observed in y the temperature dependencies of the external relaxation time, the specific volume, and the surface tension; it is tentatively attributed to a phase separation in the liquid state. The VIT 101 specimen exhibited a small undercooling of about 50 K. Specific heat measurements were performed in the stable and undercooled melt. These various results will be combined with ground based work such as the measurement of T-T-T curves in the electrostatic levitator and low temperature viscosity and specific heat measurements for modeling the nucleation kinetics of these alloys.

Metal ion induced room temperature phase transformation and stimulated infrared spectroscopy on TiO{sub 2}-based surfaces

Energy Technology Data Exchange (ETDEWEB)

Gole, James L. [Schools of Physics and Mechanical Engineering, Georgia Institute of Technology, 837 State Street, Atlanta, GA 30332-0430 (United States)], E-mail: jim.gole@physics.gatech.edu; Prokes, S.M. [Code 6876, NRL, Washington, DC 20375 (United States)], E-mail: prokes@estd.nrl.navy.mil; White, Mark G. [Dave C. Swalm School of Chemical Engineering, James Worth Bagley College of Engineering, Box 959, MS 39762 (United States)], E-mail: white@che.msstate.edu

2008-11-30

Raman and infrared spectroscopy are used to demonstrate (1) the high spin metal ion induced room temperature transformation of anatase to rutile TiO{sub 2} and (2) the phenomena of stimulated IR spectroscopy induced by simultaneous nitrogen doping and high spin metal ion seeding of a TiO{sub 2} nanocolloid lattice.

DFT+U study of defects in bulk rutile TiO₂

DEFF Research Database (Denmark)

Stausholm-Møller, Jess; Kristoffersen, Henrik Høgh; Hinnemann, Berit

2010-01-01

phase of bulk titanium dioxide. We find that by applying a sufficiently large value for the Hubbard-U parameter of the Ti 3d states, the excess electrons localize spatially at the Ti sites and appear as states in the band gap. At U = 2.5 eV, the position in energy of these gap states are in fair...... is that regardless of which structural defect is the origin of the gap states, at U = 2.5 eV, these states are found to have their mean energies within a few hundredths of an eV from 0.94 eV below the conduction band minimum.......We present a systematic study of electronic gap states in defected titania using our implementation of the Hubbard-U approximation in the grid-based projector-augmented wave density functional theory code, GPAW. The defects considered are Ti interstitials, O vacancies, and H dopants in the rutile...

Influence of air and vacuum environment on fatigue behavior of Zr-based bulk metallic glasses

International Nuclear Information System (INIS)

Wang, G.Y.; Liaw, P.K.; Yokoyama, Y.; Peter, W.H.; Yang, B.; Freels, M.; Buchanan, R.A.; Liu, C.T.; Brooks, C.R.

2007-01-01

High-cycle fatigue (HCF) experiments in air and vacuum at room temperature were conducted on zirconium (Zr)-based bulk-metallic glasses (BMGs): Zr 50 Cu 40 Al 10 , Zr 50 Cu 30 Al 10 Ni 10 , and Zr 50 Cu 37 Al 10 Pd 3 in atomic percent. The fatigue-endurance limit of Zr 50 Cu 37 Al 10 Pd 3 was found to be significantly greater than those of Zr 50 Cu 40 Al 10 and Zr 50 Cu 30 Al 10 Ni 10 , which indicates that the inclusions of Pd and the resulting nano structures improve the fatigue resistances of the Zr-based BMGs. The fatigue lives in vacuum and air were generally found to be comparable

In situ scanning tunneling microscopy study of Ca-modified rutile TiO2(110 in bulk water

Directory of Open Access Journals (Sweden)

Giulia Serrano

2015-02-01

Full Text Available Despite the rising technological interest in the use of calcium-modified TiO2 surfaces in biomedical implants, the Ca/TiO2 interface has not been studied in an aqueous environment. This investigation is the first report on the use of in situ scanning tunneling microscopy (STM to study calcium-modified rutile TiO2(110 surfaces immersed in high purity water. The TiO2 surface was prepared under ultrahigh vacuum (UHV with repeated sputtering/annealing cycles. Low energy electron diffraction (LEED analysis shows a pattern typical for the surface segregation of calcium, which is present as an impurity on the TiO2 bulk. In situ STM images of the surface in bulk water exhibit one-dimensional rows of segregated calcium regularly aligned with the [001] crystal direction. The in situ-characterized morphology and structure of this Ca-modified TiO2 surface are discussed and compared with UHV-STM results from the literature. Prolonged immersion (two days in the liquid leads to degradation of the overlayer, resulting in a disordered surface. X-ray photoelectron spectroscopy, performed after immersion in water, confirms the presence of calcium.

Deformation twinning in metals and ordered intermetallics-Ti and Ti-aluminides

Science.gov (United States)

Yoo, M. H.; Fu, C. L.; Lee, J. K.

1991-06-01

The role of deformation twinning in the strength and ductility of metals and ordered intermetallic alloys is examined on the basis of crystallography, energetics and kinetics of deformation twinning. A systematic analysis is made by taking Ti, Ti3AI, TiAl, and A13Ti as four model systems. In comparison with profuse twinning in Ti, the intrinsic difficulty of twinning in Ti3A1 is rationalized in terms of the interchange shuffling mechanism. A fault (SISF) dragging mechanism based on the interaction torque explains the physical source for the low mobility of screw superdislocations in TiAl, which may lead to (111) [ 11bar{2}] twin nucleation. In TiAl and A13Ti alloys, the twin-slip (ordinary) conjugate relationship makes an important contribution to the strain compatibility for high-temperature plasticity. Potentially beneficial alloying additions to promote twinning are discussed. Les conséquences de la déformation par maclage sur la fracture et la ductilité des métaux et alliages intermétalliques ordonnés sont étudiées en fonction de la cristallographie, de l'énergie et de la cinétique des déformations par maclage. Une analyse systématique a été faite en considérant Ti, Ti3AI, TiAl et A13Ti comme quatre systèmes modèles. En comparaison avec le nombre important de maclages observés dans Ti, la difficulté intrinsèque des maclages dans Ti3AI est rationalisée en terme de mécanisme d'“interchange shuffling”. Un mécanisme de “dragging fault” basé sur l'interaction “torque” explique l'origine physique de la faible mobilité des superdislocations vissées dans TiAl qui peuvent conduire à la nucléation des macles (111) 112. Dans les alliages tels TiAl et A13Ti, la relation conjuguée entre la macle et le glissement (ordinaire) contribue de façon importante à la compatibilité des contraintes lors de la déformation plastique à haute température. Des effets bénéfiques potentiels liés à des éléments d'addition sur le processus

Study on influences of TiN capping layer on time-dependent dielectric breakdown characteristic of ultra-thin EOT high- k metal gate NMOSFET with kMC TDDB simulations

International Nuclear Information System (INIS)

Xu Hao; Yang Hong; Luo Wei-Chun; Xu Ye-Feng; Wang Yan-Rong; Tang Bo; Wang Wen-Wu; Qi Lu-Wei; Li Jun-Feng; Yan Jiang; Zhu Hui-Long; Zhao Chao; Chen Da-Peng; Ye Tian-Chun

2016-01-01

The thickness effect of the TiN capping layer on the time dependent dielectric breakdown (TDDB) characteristic of ultra-thin EOT high- k metal gate NMOSFET is investigated in this paper. Based on experimental results, it is found that the device with a thicker TiN layer has a more promising reliability characteristic than that with a thinner TiN layer. From the charge pumping measurement and secondary ion mass spectroscopy (SIMS) analysis, it is indicated that the sample with the thicker TiN layer introduces more Cl passivation at the IL/Si interface and exhibits a lower interface trap density. In addition, the influences of interface and bulk trap density ratio N it / N ot are studied by TDDB simulations through combining percolation theory and the kinetic Monte Carlo (kMC) method. The lifetime reduction and Weibull slope lowering are explained by interface trap effects for TiN capping layers with different thicknesses. (paper)

Weld metal grain refinement of aluminium alloy 5083 through controlled additions of Ti and B

Energy Technology Data Exchange (ETDEWEB)

Schempp, Philipp; Rethmeier, Michael [Federal Institute for Materials Research and Testing BAM, Berlin (Germany). Div. ' ' Safety of Joined Components' ' ; Fraunhofer Institute for Production Systems and Design Technology IPK, Berlin (Germany). Dept. ' ' Joining and Coating Technology' ' ; Schwenk, Christopher; Cross, Carl Edward [Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin (Germany)

2011-07-01

The refinement of the weld metal grain structure may lead to a significant change in its mechanical properties and in the weldability of the base metal. One possibility to achieve weld metal grain refinement is the inoculation of the weld pool. In this study, it is shown how additions of titanium and boron influence the weld metal grain structure of GTA welds of the aluminium alloy 5083 (Al Mg4.5Mn0.7). For this purpose, inserts consisting of base metal and additions of the master alloy Al Ti5B1 have been cast, deposited in the base metal and fused in a GTA welding process. The increase of the Ti and B content led to a significant decrease of the weld metal mean grain size and to a change in grain shape. The results provide a basis for a more precise definition of the chemical composition of commercial filler wires and rods for aluminium arc welding. (orig.)

Ion beam sputter deposited TiAlN films for metal-insulator-metal (Ba,Sr)TiO{sub 3} capacitor application

Energy Technology Data Exchange (ETDEWEB)

Lee, S.-Y. [Department of Materials Science and Engineering, National Cheng Kung University, No. 1, Ta-Hsueh Road, Tainan, Taiwan (China); Wang, S.-C. [Department of Mechanical Engineering, Southern Taiwan University of Technology, No. 1, Nantai St, Yung-Kang City, Tainan, Taiwan (China); Chen, J.-S. [Department of Materials Science and Engineering, National Cheng Kung University, No. 1, Ta-Hsueh Road, Tainan, Taiwan (China); Huang, J.-L. [Department of Materials Science and Engineering, National Cheng Kung University, No. 1, Ta-Hsueh Road, Tainan, Taiwan (China)], E-mail: jlh888@mail.ncku.edu.tw

2008-09-01

The present study evaluated the feasibility of TiAlN films deposited using the ion beam sputter deposition (IBSD) method for metal-insulator-metal (MIM) (Ba,Sr)TiO{sub 3} (BST) capacitors. The BST films were crystallized at temperatures above 650 deg. C. TiAlN films deposited using the IBSD method were found having smooth surface and low electrical resistivity at high temperature conditions. TiAlN films showed a good diffusion barrier property against BST components. The J-E (current density-electric field) characteristics of Al/BST/TiAlN capacitors were good, with a high break down electric field of {+-} 2.5 MV/cm and a leakage current density of about 1 x 10{sup -5} A/cm{sup 2} at an applied field of {+-} 0.5 MV/cm. Thermal stress and lateral oxidation that occurred at the interface damaged the capacitor stacking structure. Macro holes that dispersed on the films resulted in higher leakage current and inconsistent J-E characteristics. Vacuum annealing with lower heating rate and furnace cooling, and a Ti-Al adhesion layer between TiAlN and the SiO{sub 2}/Si substrate can effectively minimize the stress effect. TiAlN film deposited using IBSD can be considered as a potential electrode and diffusion barrier material for MIM BST capacitors.

Multistep structural transition of hydrogen trititanate nanotubes into TiO{sub 2}-B nanotubes: a comparison study between nanostructured and bulk materials

Energy Technology Data Exchange (ETDEWEB)

Morgado, Edisson Jr [PETROBRAS S.A./CENPES, Research and Development Centre, Avenida Horacio Macedo, 950, Cidade Universitaria, Quadra 7, 21941-598 Rio de Janeiro-RJ (Brazil); Jardim, P M [Department of Materials Science and Metallurgy, Pontifical Catholic University, CP 38008, 22453-900 Rio de Janeiro-RJ (Brazil); Marinkovic, Bojan A [Department of Materials Science and Metallurgy, Pontifical Catholic University, CP 38008, 22453-900 Rio de Janeiro-RJ (Brazil); Rizzo, Fernando C [Department of Materials Science and Metallurgy, Pontifical Catholic University, CP 38008, 22453-900 Rio de Janeiro-RJ (Brazil); Abreu, Marco A S de [PETROBRAS S.A./CENPES, Research and Development Centre, Avenida Horacio Macedo, 950, Cidade Universitaria, Quadra 7, 21941-598 Rio de Janeiro-RJ (Brazil); Zotin, Jose L [PETROBRAS S.A./CENPES, Research and Development Centre, Avenida Horacio Macedo, 950, Cidade Universitaria, Quadra 7, 21941-598 Rio de Janeiro-RJ (Brazil); Araujo, Antonio S [Department of Chemistry, Federal University of Rio Grande do Norte, CP 1662, 59078-970 Natal-RN (Brazil)

2007-12-12

H-trititanate nanotubes obtained by alkali hydrothermal treatment of TiO{sub 2} followed by proton exchange were compared to their bulk H{sub 2}Ti{sub 3}O{sub 7} counterpart with respect to their thermally induced structural transformation paths. As-synthesized and heat-treated samples were characterized by XRD, TEM/SAED, DSC and spectroscopy techniques, indicating that H{sub 2}Ti{sub 3}O{sub 7} nanotubes showed the same sequence of structural transformations as their bulk counterpart obtained by conventional solid state reaction. Nanostructured H{sub 2}Ti{sub 3}O{sub 7} converts into TiO{sub 2}(B) via multistep transformation without losing its nanotubular morphology. The transformation occurs between 120 and 400 deg. C through topotactic mechanisms with the intermediate formation of nanostructured H{sub 2}Ti{sub 6}O{sub 13} and H{sub 2}Ti{sub 12}O{sub 25}, which are more condensed layered titanates eventually rearranging to TiO{sub 2}(B). Our results suggest that the intermediate tunnel structure H{sub 2}Ti{sub 12}O{sub 25} is the final layered intermediate phase, on which TiO{sub 2}(B) nucleates and grows. The conversion of nanostructured TiO{sub 2}(B) into anatase is completed at a much lower temperature than its bulk counterpart and is accompanied by loss of the nanotubular morphology.

Refractory metal based superalloys

International Nuclear Information System (INIS)

Alonso, Paula R.; Vicente, Eduardo E.; Rubiolo, Gerardo H.

1999-01-01

Refractory metals are looked as promising materials for primary circuits in fission reactors and even as fusion reactor components. Indeed, superalloys could be developed which take advantage of their high temperature properties together with the benefits of a two- phase (intermetallic compound-refractory metal matrix) coherent structure. In 1993, researchers of the Office National d'Etudes et de Recherches Aerospatiales of France reported the observation of such a coherent structure in the Ta-Ti-Zr-Al-Nb-Mo system although the exact composition is not reported. The intermetallic compound would be Ti 2 AlMo based. However, the formation of this compound and its possible coexistence with a disordered bcc phase in the ternary system Ti-Al-Mo is a controversial subject in the related literature. In this work we develop a technique to obtain homogeneous alloys samples with 50 Ti-25 Al-25 Mo composition. The resulting specimens were characterized by optical and electronic metallography (SEM), microprobe composition measurements (EPMA) and X-ray diffraction (XRD) analyses. The results show the evidence for a bcc (A2→B2) ordering reaction in the Ti-Al-Mo system in the 50 Ti-25 Al-25 Mo composition. (author)

RuO2-TiO2 mixed oxides prepared from the hydrolysis of the metal alkoxides

International Nuclear Information System (INIS)

Osman, Julian R.; Crayston, Joe A.; Pratt, Allin; Richens, David T.

2008-01-01

The hydrolysis of ruthenium alkoxide/titanium tetraethoxide mixtures to gels and powders containing 30-40 mol% Ru was investigated. Basic or neutral conditions led to powders consisting of 2-10 nm diameter crystalline RuO 2 nanoparticles embedded in a matrix of crystalline (anatase) and amorphous TiO 2 . Acid hydrolysis conditions gave gels containing smaller, amorphous RuO 2 nanoparticles (1-3 nm). In all samples the RuO 2 nanoparticles tended to clump into aggregates up to 0.5 μm across. Acid or neutral hydrolysis of ruthenium ethoxide gave samples which displayed lower surface Ru:Ti ratios as measured by XPS compared to the bulk (XRF), and also contained more low-valent Ru (as measured by XRF), probably due to incomplete hydrolysis of the precursors. These samples also contained more Ru metal after calcination (XRD). Calcination (450 deg. C) was accompanied by Ru-promoted combustion of organic material and led to crystalline (anatase) TiO 2 and Ti x Ru 1-x O 2 solid solution (rutile phase)

Toxicity of TiO2, in nanoparticle or bulk form to freshwater and marine microalgae under visible light and UV-A radiation.

Science.gov (United States)

Sendra, M; Moreno-Garrido, I; Yeste, M P; Gatica, J M; Blasco, J

2017-08-01

Use of titanium dioxide nanoparticles (TiO 2 NPs) has become a part of our daily life and the high environmental concentrations predicted to accumulate in aquatic ecosystems are cause for concern. Although TiO 2 has only limited reactivity, at the nanoscale level its physico-chemical properties and toxicity are different compared with bulk material. Phytoplankton is a key trophic level in fresh and marine ecosystems, and the toxicity provoked by these nanoparticles can affect the structure and functioning of ecosystems. Two microalgae species, one freshwater (Chlamydomonas reinhardtii) and the other marine (Phaeodactylum tricornutum), have been selected for testing the toxicity of TiO 2 in NP and conventional bulk form and, given its photo-catalytic properties, the effect of UV-A was also checked. Growth inhibition, quantum yield reduction, increase of intracellular ROS production, membrane cell damage and production of exo-polymeric substances (EPS) were selected as variables to measure. TiO 2 NPs and bulk TiO 2 show a relationship between the size of agglomerates and time in freshwater and saltwater, but not in ultrapure water. Under two treatments, UV-A (6 h per day) and no UV-A exposure, NPs triggered stronger cytotoxic responses than bulk material. TiO 2 NPs were also associated with greater production of reactive oxygen species and damage to membrane. However, microalgae exposed to TiO 2 NPs and bulk TiO 2 under UV-A were found to be more sensitive than in the visible light condition. The marine species (P. tricornutum) was more sensitive than the freshwater species, and higher Ti internalization was measured. Exopolymeric substances (EPS) were released from microalgae in the culture media, in the presence of TiO 2 in both forms. This may be a possible defense mechanism by these cells, which would enhance processes of homoagglomeration and settling, and thus reduce bioavailability. Copyright © 2017 Elsevier Ltd. All rights reserved.

Optical and structural properties of TiO{sub 2}/Ti/Ag/TiO{sub 2} and TiO{sub 2}/ITO/Ag/ITO/TiO{sub 2} metal-dielectric multilayers by RF magnetron sputtering for display application

Energy Technology Data Exchange (ETDEWEB)

Lee, Jang-Hoon; Lee, Seung-Hyu; Hwangbo, Chang-Kwon [Inha University, Incheon (Korea, Republic of); Lee, Kwang-Su [Quantum Photonic Science Research Center, Hanyang University, Seoul (Korea, Republic of)

2004-03-15

Electromagnetic-interference (EMI) shielding and near-infrared (NIR) cutoff filters for plasma display panels, based on fundamental structures (ITO/Ag/ITO), (TiO{sub 2}/Ti/Ag/TiO{sub 2}) and (TiO{sub 2}/ITO/Ag/ITO/TiO{sub 2}), were designed and prepared by RF-magnetron sputtering. The optical, structural and electrical properties of the filters were investigated by using spectrophotometry, Auger electron spectroscopy, X-ray photoelectron spectroscopy, Rutherford backscattering spectroscopy, atomic force microscopy and four-point-probe measurements. The results show that ITO films as the barriers and base layers lead to higher transmittance in the visible spectrum and smoother surface roughness than Ti metal barriers, while maintaining high NIR cutoff characteristics and chemical stability, which may be attributed to the lower absorption in the interfacial layers and better protection of the Ag layers by the ITO layers.

Bulk metallic glass matrix composite for good biocompatibility

International Nuclear Information System (INIS)

Hadjoub, F; Metiri, W; Doghmane, A; Hadjoub, Z

2012-01-01

Reinforcement volume fraction effects on acoustical parameters of Zr 41.2 Ti 13.8 Cu 12.5 Ni 10 Be 22.5 matrix composites reinforced by Mg, Ag and Cd metals have been studied via a simulation program based on acoustic microscopy technique. Moreover, acoustical parameters of human bone were compared to those of BMGs in both monolithic and reinforced case. It was found that elastic behavior of BMGs matrix composites in high reinforcement volume fraction is similar of that of human bone. This behavior leads to high biocompatibility and good transfer of stress between composite material and human system.

Size dependence of structural, magnetic, and electrical properties in corundum-type Ti2O3 nanoparticles showing insulator–metal transition

Directory of Open Access Journals (Sweden)

Yoshihiro Tsujimoto

2015-09-01

Full Text Available Corundum-type Ti2O3 has been investigated over the last half century because it shows unusual insulator–metal (I-M transition over a broad temperature range (420–550 K. In this work, we successfully synthesized Ti2O3 nanoparticles (20, 70, 300 nm in size by the low-temperature reduction between precursors of rutile-type TiO2 and the reductant CaH2, in a non-topotactic manner. The reaction time required for obtaining the reduced phase increases with increasing the particle size. Synchrotron X-ray powder diffraction and electron microscopy studies reveal that the symmetry of all the present samples remains the same as that of bulk samples. However, the particle-size reduction results in three important features compared with bulk samples as follows, (i color shift from dark brown to bluish black, (ii anisotropic volume contraction involving the shrinkage of Ti–Ti bonds in the ab plane and along the c axis, (iii reduction of the I-M transition temperature from 420 K to 350 K. These suggest that the a1g band broadening caused by the surface strain effects, which favors narrowing of the band gap, may play a critical role in the suppression of IM transition.

Biocorrosion Evaluation on a Zr-Cu-Ag-Ti Metallic Glass

Science.gov (United States)

Kumar, Shresh; Anwar, Rebin; Ryu, Wookha; Park, E. S.; Vincent, S.

2018-04-01

Metallic glasses are in high demand for fabrication of variety of innovative products, in particular surgical and biomedical tools and devices owing to its excellent biocompatible properties. In the present investigation, a novel Zr39.5Cu50.5Ag4Ti6 metallic glass composition was synthesized using melt spinning technique. Potentiodynamic polarization studies were conducted to investigate bio-corrosion behaviour of Zr39.5Cu50.5Ag4Ti6 metallic glass. The test were conducted in various simulated artificial body conditions such as artificial saliva solution, phosphate-buffered saline solution, artificial blood plasma solution, and Hank’s balanced saline solution. The bio-corrosion results of metallic glass were compared with traditional biomaterials. The study aims to provide bio-compatible properties of Zr39.5Cu50.5Ag4Ti6 metallic glass.

Solution-processed all-oxide bulk heterojunction solar cells based on CuO nanaorod array and TiO2 nanocrystals

Science.gov (United States)

Wu, Fan; Qiao, Qiquan; Bahrami, Behzad; Chen, Ke; Pathak, Rajesh; Tong, Yanhua; Li, Xiaoyi; Zhang, Tiansheng; Jian, Ronghua

2018-05-01

We present a method to synthesize CuO nanorod array/TiO2 nanocrystals bulk heterojunction (BHJ) on fluorine-tin-oxide (FTO) glass, in which single-crystalline p-type semiconductor of the CuO nanorod array is grown on the FTO glass by hydrothermal reaction and the n-type semiconductor of the TiO2 precursor is filled into the CuO nanorods to form well-organized nano-interpenetrating BHJ after air annealing. The interface charge transfer in CuO nanorod array/TiO2 heterojunction is studied by Kelvin probe force microscopy (KPFM). KPFM results demonstrate that the CuO nanorod array/TiO2 heterojunction can realize the transfer of photo-generated electrons from the CuO nanorod array to TiO2. In this work, a solar cell with the structure FTO/CuO nanoarray/TiO2/Al is successfully fabricated, which exhibits an open-circuit voltage (V oc) of 0.20 V and short-circuit current density (J sc) of 0.026 mA cm‑2 under AM 1.5 illumination. KPFM studies indicate that the very low performance is caused by an undesirable interface charge transfer. The interfacial surface potential (SP) shows that the electron concentration in the CuO nanorod array changes considerably after illumination due to increased photo-generated electrons, but the change in the electron concentration in TiO2 is much less than in CuO, which indicates that the injection efficiency of the photo-generated electrons from CuO to TiO2 is not satisfactory, resulting in an undesirable J sc in the solar cell. The interface photovoltage from the KPFM measurement shows that the low V oc results from the small interfacial SP difference between CuO and TiO2 because the low injected electron concentration cannot raise the Fermi level significantly in TiO2. This conclusion agrees with the measured work function results under illumination. Hence, improvement of the interfacial electron injection is primary for the CuO nanorod array/TiO2 heterojunction solar cells.

Positron annihilation studies on bulk metallic glass and high intensity positron beam developments

International Nuclear Information System (INIS)

Asoka-Kumar, P.; Stoeffl, W.

2003-01-01

Positron annihilation spectroscopy is an ideal probe to examine atomic scale open-volume regions in materials. Below, we summarize the recent results on studies of open-volume regions of a multicomponent Zr-Ti-Ni-Cu-Be bulk metallic glass. Our studies establish two types of open-volume regions, one group that is too shallow to trap positrons at room temperature and becomes effective only at low temperatures and the other group that localizes positrons at room temperature and is large enough to accommodate hydrogen. The second half of the paper will concentrate on the high intensity positron program at Lawrence Livermore National Laboratory. A new positron production target is under development and we are constructing two experimental end stations to accommodate a pulsed positron microprobe and an experiment on positron diffraction and holography. Important design considerations of these experiments will be described. (author)

Bulk viscosity and ultrasonic attenuation in liquid metals

International Nuclear Information System (INIS)

Awasthi, O.N.; Murthy, B.V.S.

1984-11-01

Ultrasonic attenuation in simple liquid metals has been investigated using the thermodynamic theory of relaxation processes incorporating the concept of a two state model for the liquid near the melting point. Agreement of the results with the experimental values of the ultrasonic attenuation and bulk viscosity indicates that this might be an appropriate approach to explain the excess attenuation of ultrasonic waves in liquid metals. (author)

Effects of superimposed hydrostatic pressure on flow and fracture of a Zr-Ti-Ni-Cu-Be bulk amorphous alloy

International Nuclear Information System (INIS)

Lowhaphandu, P.; Montgomery, S.L.; Lewandowski, J.J.

1999-01-01

Recent successes in producing bulk amorphous alloys have renewed interest in this class of materials. Although amorphous metallic alloys have been shown to exhibit strengths in excess of 2.0 GPa, most of the earlier studies on such materials were conducted on tape or ribbon specimens due to the high cooling rates required to achieve the amorphous structure. The primary purpose of this investigation was to determine the effects of superimposed hydrostatic pressure on the flow and fracture behavior of a Zr-Ti-Ni-Cu-Be bulk metallic glass utilizing procedures successfully utilized on a range of structural materials, as reviewed recently. In general, few studies of this type have been conducted on metallic glasses, although thin ribbons (i.e., 300 microm thick) of a Pd-Cu-Si amorphous material tested with superimposed pressure have been reported previously. In particular, the effects of superimposed hydrostatic pressure over levels ranging from 50 MPa to 575 MPa on the flow/fracture behavior of cylindrical tensile specimens were compared to the flow and fracture behavior of identical materials tested in uniaxial tension and compression. It is shown that changes in stress triaxiality, defined as σ m /bar σ, over the range of -0.33 to 0.33 produced a negligible effect on the fracture stress and fracture strain, while the orientation of the macroscopic fracture plane with respect to the loading axis was significantly affected by changes in σ m /bar σ

Nature of adsorption on TiC(111) investigated with density-functional calculations

Science.gov (United States)

Ruberto, Carlo; Lundqvist, Bengt I.

2007-06-01

Extensive density-functional calculations are performed for chemisorption of atoms in the three first periods (H, B, C, N, O, F, Al, Si, P, S, and Cl) on the polar TiC(111) surface. Calculations are also performed for O on TiC(001), for full O(1×1) monolayer on TiC(111), as well as for bulk TiC and for the clean TiC(111) and (001) surfaces. Detailed results concerning atomic structures, energetics, and electronic structures are presented. For the bulk and the clean surfaces, previous results are confirmed. In addition, detailed results are given on the presence of C-C bonds in the bulk and at the surface, as well as on the presence of a Ti-based surface resonance (TiSR) at the Fermi level and of C-based surface resonances (CSR’s) in the lower part of the surface upper valence band. For the adsorption, adsorption energies Eads and relaxed geometries are presented, showing great variations characterized by pyramid-shaped Eads trends within each period. An extraordinarily strong chemisorption is found for the O atom, 8.8eV /adatom. On the basis of the calculated electronic structures, a concerted-coupling model for the chemisorption is proposed, in which two different types of adatom-substrate interactions work together to provide the obtained strong chemisorption: (i) adatom-TiSR and (ii) adatom-CSR’s. This model is used to successfully describe the essential features of the calculated Eads trends. The fundamental nature of this model, based on the Newns-Anderson model, should make it apt for general application to transition-metal carbides and nitrides and for predictive purposes in technological applications, such as cutting-tool multilayer coatings and MAX phases.

Fe-based bulk metallic glasses used for magnetic shielding

Energy Technology Data Exchange (ETDEWEB)

Serban, Va; Codrean, C; UTu, D [Politehnica University of Timisoara, Depart for Materials Science and Welding, 1, M. Viteazu Bvd., 300222, Timisoara (Romania); ErcuTa, A, E-mail: serban@mec.upt.r [West University of Timisoara, Faculty of Physics, 4, Vasile Parvan Bdv., Timisoara 300223 (Romania)

2009-01-01

The casting in complex shapes (tubular) and the main magnetic properties of bulk metallic glasses (BMG) alloys from the ferromagnetic Fe-Cr-Ni-Ga-P-Si-C system, with a small addition of Ni (3%) were studied. Samples as rods and sockets having the thickness up to 1 mm were obtained from master alloys by melt injection by low cooling rates into a Cu mold and annealed in order to ensure adequate magnetic requirements. The structure was examined by X-ray diffraction (XRD) and the basic magnetic properties (coercivity, magnetic remanence, initial susceptibility, etc.) were determined by conventional low frequency induction method. The experimental investigations on producing of BMG ferromagnetic alloys with 3% Ni show the possibility to obtain magnetic shields of complex shape with satisfactory magnetic properties. The presence of Ni does not affect the glass forming ability, but reduce the shielding capacity.

Failure by fracture in bulk metal forming

DEFF Research Database (Denmark)

Silva, C.M.A.; Alves, Luis M.; Nielsen, Chris Valentin

2015-01-01

This paper revisits formability in bulk metal forming in the light of fundamental concepts of plasticity,ductile damage and crack opening modes. It proposes a new test to appraise the accuracy, reliability and validity of fracture loci associated with crack opening by tension and out-of-plane shear...

Fabrication of Functionally Graded Ti and γ-TiAl by Laser Metal Deposition

Science.gov (United States)

Yan, Lei; Chen, Xueyang; Zhang, Yunlu; Newkirk, Joseph W.; Liou, Frank

2017-12-01

TiAl alloys have become a popular choice in the aerospace and automotive industries, owing to their high specific yield strength, specific modulus, and oxidation resistance over titanium alloys and Ni-based super alloys at elevated temperatures. Although laser metal deposition (LMD) techniques have been available for manufacturing metal alloys for a decade, limited research has been focused on joining intermetallic materials with dissimilar materials using LMD. Here, LMD was used to join titanium aluminide Ti-48Al-2Cr-2Nb and commercially pure titanium with an innovative transition path. The theorized transition was implemented by fabricating functionally graded material (FGM). Porosity- and crack-free deposits were successfully fabricated. Energy dispersive x-ray spectroscopy analysis revealed the final composition was very close to the design composition. X-ray diffraction showed the expected phases were formed. The Vickers hardness, ultimate tensile strength, and coefficient of thermal expansion were evaluated to characterize the FGM's mechanical and physical properties. The properties of the material were comparable to those of as-cast material as reported in the literature.

Low temperature intermediate band metallic behavior in Ti implanted Si

Energy Technology Data Exchange (ETDEWEB)

Olea, Javier, E-mail: oleaariza@fis.ucm.es; Pastor, David; Garcia-Hemme, Eric; Garcia-Hernansanz, Rodrigo; Prado, Alvaro del; Martil, Ignacio; Gonzalez-Diaz, German

2012-08-31

Si samples implanted with very high Ti doses and subjected to Pulsed-Laser Melting (PLM) have been electrically analyzed in the scope of a two-layer model previously reported based on the Intermediate Band (IB) theory. Conductivity and Hall effect measurements using the van der Pauw technique suggest that the insulator-metal transition takes place for implantation doses in the 10{sup 14}-10{sup 16} cm{sup -2} range. Results of the sample implanted with the 10{sup 16} cm{sup -2} dose show a metallic behavior at low temperature that is explained by the formation of a p-type IB out of the Ti deep levels. This suggests that the IB would be semi-filled, which is essential for IB photovoltaic devices. - Highlights: Black-Right-Pointing-Pointer We fabricated high dose Ti implanted Si samples for intermediate band research. Black-Right-Pointing-Pointer We measured the electronic transport properties in the 7-300 K range. Black-Right-Pointing-Pointer We show an insulator to metallic transition when the intermediate band is formed. Black-Right-Pointing-Pointer The intermediate band is semi-filled and populated by holes. Black-Right-Pointing-Pointer We satisfactorily explain the electrical behavior by an intermediate band model.

Wet-Chemical Preparation of TiO2-Based Composites with Different Morphologies and Photocatalytic Properties

Directory of Open Access Journals (Sweden)

Liqin Xiang

2017-10-01

Full Text Available TiO2-based composites have been paid significant attention in the photocatalysis field. The size, crystallinity and nanomorphology of TiO2 materials have an important effect on the photocatalytic efficiency. The synthesis and photocatalytic activity of TiO2-based materials have been widely investigated in past decades. Based on our group’s research works on TiO2 materials, this review introduces several methods for the fabrication of TiO2, rare-earth-doped TiO2 and noble-metal-decorated TiO2 particles with different morphologies. We focused on the preparation and the formation mechanism of TiO2-based materials with unique structures including spheres, hollow spheres, porous spheres, hollow porous spheres and urchin-like spheres. The photocatalytical activity of urchin-like TiO2, noble metal nanoparticle-decorated 3D (three-dimensional urchin-like TiO2 and bimetallic core/shell nanoparticle-decorated urchin-like hierarchical TiO2 are briefly discussed.

Distribution of oxides in a Zr-Cu-Ni-Al-Nb-Si bulk metallic glass

Energy Technology Data Exchange (ETDEWEB)

Heinrich, Jochen; Busch, Ralf [Chair of Metallic Materials, Saarland University, PO Box 151150, 66041 Saarbruecken (Germany); Mueller, Frank; Huefner, Stefan [Chair of Experimental Physics, Saarland University, PO Box 151150, 66041 Saarbruecken (Germany)

2010-07-01

The course of oxide presence with distance from the sample surface and bonding partner was studied for the bulk metallic glass with the nominal composition Zr{sub 57.9}Cu{sub 15.4}Ni{sub 12.7}Al{sub 10.2}Nb{sub 2.8}Si{sub 1} (at%) by X-ray photoelectron spectroscopy (XPS). Investigated specimens are taken from vacuum quench-cast rods subjected to oxidation at room temperature and atmosphere. Binding energies were determined in various depths using ion beam ablation of up to 100 nanometers. XPS spectra confirm oxidation primarily of the pure zirconium and aluminum constituents, all other peaks correspond to metallic bonds. While the surface area shows a passivating zirconia layer a few nanometers thick, oxygen is bonded predominantly with aluminum inside the bulk. Since the concentration of oxygen is a crucial factor in the crystallization behavior of bulk metallic glass forming liquids on basis of oxygen affine metals, so far only high purity materials were thought to be suitable. The findings in this study, however, are promising for alloys with industrial grade elements with sufficient glass forming ability. Comparisons of the alloy with differing oxygen content support the conclusion that aluminum acts as an appropriate scavenger for both adsorbed and large amounts of intrinsic oxygen in zirconium based amorphous metals.

Interface evolution and shear strength of Al/Ti bi-metals processed by a spark plasma sintering (SPS) apparatus

Energy Technology Data Exchange (ETDEWEB)

Miriyev, Aslan, E-mail: aslan.miriyev@columbia.edu [Department of Mechanical Engineering, Columbia University in the City of New York, 500 W. 120th St., Mudd 220, New York, NY 10027 (United States); Levy, Asaf; Kalabukhov, Sergey; Frage, Nachum [Department of Materials Engineering, Ben-Gurion University of the Negev, P.O.B. 653, Beer Sheva 8410501 (Israel)

2016-09-05

Microstructural evolution of the Al/Ti bi-metal interface during heat treatment in a spark plasma sintering (SPS) apparatus was investigated under various conditions for the first time. A mechanism of interfacial layer growth was suggested based on the results of SEM, TEM and X-ray diffraction analysis. A continuous TiAl{sub 3} intermetallic layer was formed at the Al/Ti interface even after a processing time as short as about a minute. The TiAl{sub 3} layer grew mainly into the Ti part, while only a few individual grains grew into the Al part. Evolution of the interlayer was determined by Al diffusion through the (TiAl{sub 3}/TiAl{sub 3}) grain boundary. The activation energy of the process was 140 kJ/mol. The shear strength of the interface in the Al/Ti bi-metal was determined after various heat treatments. The shear strength of the bi-metal was limited by the properties of aluminum, with no effect of interlayer thickness or current mode and pulse pattern of the SPS treatment being detected. - Highlights: • Spark plasma sintering apparatus was used for heat treatment of Al/Ti bi-metals. • Microstructural evolution of Al/Ti interface during SPS treatment was investigated. • A continuous TiAl{sub 3} intermetallic layer was formed at the Al/Ti interface. • The bi-metal shear strength was limited by the properties of pure aluminum. • No effect of TiAl{sub 3} thickness or SPS current mode and pulse pattern was detected.

Nanoscale Chemical and Valence Evolution at the Metal/Oxide Interface: A Case Study of Ti/SrTiO 3

KAUST Repository

Li, Yangyang

2016-06-27

Metal/oxide interfaces are ubiquitous in a wide range of applications such as electronics, photovoltaics, memories, catalysis, and sensors. However, there have been few investigations dedicated to the nanoscale structural and chemical characteristics of these buried interfaces. In this work, the metal/oxide interface between Ti and SrTiO3 (STO) is examined as a prototypical system using high-resolution scanning transmission electron microscopy and electron energy loss spectroscopy. An atomic-thin Ti2O3-like layer at the Ti/STO interface prepared at room temperature is discovered, and first-principles calculations predict a metallic band structure of this 2D electron system. As a universal feature of such interfaces prepared at different temperatures, near the interface nanoscale oxygen-deficient domains and continuous modulation of Ti oxidation states are found. Overall, these results directly reveal complex chemical and valence evolutions at the metal/oxide interfaces, providing microscopic insights on such heterostructures. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Low leakage stoichiometric SrTiO{sub 3} dielectric for advanced metal-insulator-metal capacitors

Energy Technology Data Exchange (ETDEWEB)

Popovici, Mihaela; Kaczer, Ben; Redolfi, Augusto; Elshocht, Sven van; Jurczak, Malgorzata [imec Belgium, Leuven (Belgium); Afanas' ev, Valeri V. [Department of Physics and Astronomy, KU Leuven (Belgium); Sereni, Gabriele [DISMI, Universita degli Studi di Modena e Reggio Emilia, (Italy); Larcher, Luca [DISMI, Universita degli Studi di Modena e Reggio Emilia, (Italy); MDLab, Saint Christophe (Italy)

2016-05-15

Metal-insulator-metal capacitors (MIMCAP) with stoichiometric SrTiO{sub 3} dielectric were deposited stacking two strontium titanate (STO) layers, followed by intermixing the grain determining Sr-rich STO seed layer, with the Ti-rich STO top layer. The resulted stoichiometric SrTiO{sub 3} would have a structure with less defects as demonstrated by internal photoemission experiments. Consequently, the leakage current density is lower compared to Sr-rich STO which allow further equivalent oxide thickness downscaling. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Analysis of atomic mobility in a Cu38Zr46Ag8Al8 bulk metallic glass

International Nuclear Information System (INIS)

Qiao, J.C.; Pelletier, J.M.

2013-01-01

Highlights: ► Atomic mobility in Cu 38 Zr 46 Ag 8 Al 8 bulk metallic glass have been investigated by DMA. ► Loss factor is directly connected to the energy lost during application of the stress. ► Structural relaxation and crystallization induces a decrease of the atomic mobility. ► The concentration of quasi-point defects links to atomic mobility in metallic glasses. - Abstract: Atomic mobility in as-cast and annealed Cu 38 Zr 46 Ag 8 Al 8 bulk metallic glass samples is analyzed by performing dynamic mechanical analysis. The loss factor is directly connected to the energy lost during application of the stress. Structural relaxation process and crystallization lead to a decrease of the atomic mobility in the bulk metallic glass. A physical model, based on the concept of quasi point defects is introduced, to describe the atomic mobility. Movements in amorphous materials are correlated. The correlation factor χ reflects the atomic mobility in bulk metallic glasses: structural relaxation and crystallization lead to a decrease of χ, implying the reduction of atomic mobility. The evolution of elastic, visco-elastic and viscoplastic components after structural relaxation and partial crystallization state during the mechanical response has been obtained. Compared with as-cast state, structural relaxation induced an increase of elastic component and a decrease of visco-elastic component in the metallic glass.

Deformation behavior, corrosion resistance, and cytotoxicity of Ni-free Zr-based bulk metallic glasses.

Science.gov (United States)

Liu, L; Qiu, C L; Chen, Q; Chan, K C; Zhang, S M

2008-07-01

Two Ni-free bulk metallic glasses (BMGs) of Zr(60)Nb(5)Cu(22.5)Pd(5)Al(7.5) and Zr(60)Nb(5)Cu(20)Fe(5)Al(10) were successfully prepared by arc-melting and copper mold casting. The thermal stability and crystallization were studied using differential scanning calorimetry. It demonstrates that the two BMGs exhibit very good glass forming ability with a wide supercooled liquid region. A multi-step process of crystallization with a preferential formation of quasicrystals occurred in both BMGs under continuous heating. The deformation behavior of the two BMGs was investigated using quasi-static compression testing. It reveals that the BMGs exhibit not only superior strength but also an extended plasticity. Corrosion behaviors of the BMGs were investigated in phosphate buffered solution by electrochemical polarization. The result shows that the two BMGs exhibit excellent corrosion resistance characterized by low corrosion current densities and wide passive regions. X-ray photoelectron spectroscopy analysis revealed that the passive film formed after anodic polarization was highly enriched in zirconium, niobium, and aluminum oxides. This is attributed to the excellent corrosion resistance. Additionally, the potential cytotoxicity of the two Ni-free BMGs was evaluated through cell culture for 1 week followed by 3-(4,5-Dimethylthiazol-2-yl-)-2,5-diphenyltetrazolium bromide assay and SEM observation. The results indicate that the two Ni-free BMGs exhibit as good biocompatibility as Ti-6Al-4V alloy, and thus show a promising potential for biomedical applications. (c) 2007 Wiley Periodicals, Inc.

Ordered Fe(II)Ti(IV)O3 Mixed Monolayer Oxide on Rutile TiO2(011).

Science.gov (United States)

Halpegamage, Sandamali; Ding, Pan; Gong, Xue-Qing; Batzill, Matthias

2015-08-25

Oxide monolayers supported or intermixed with an oxide support are potential nanocatalysts whose properties are determined by the interplay with the support. For fundamental studies of monolayer oxides on metal oxide supports, well-defined systems are needed, but so far, the synthesis of monolayer oxides with long-range order on single-crystal oxide surfaces is rare. Here, we show by a combination of scanning tunneling microscopy, photoemission spectroscopy, and density functional theory (DFT)-based computational analysis that the rutile TiO2(011) surface supports the formation of an ordered mixed FeTiO3 monolayer. Deposition of iron in a slightly oxidizing atmosphere (10(-8) Torr O2) and annealing to 300 °C results in a well-ordered surface structure with Fe in a 2+ charge state and Ti in a 4+ charge states. Low-energy ion scattering suggests that the cation surface composition is close to half Fe and half Ti. This surface is stable in ultrahigh vacuum to annealing temperatures of 300 °C before the iron is reduced. DFT simulations confirm that a surface structure with coverage of 50% FeO units is stable and forms an ordered structure. Although distinct from known bulk phases of the iron-titanium oxide systems, the FeTiO3 monolayer exhibits some resemblance to the ilmenite structure, which may suggest that a variety of different mixed oxide phases (of systems that exist in a bulk ilmenite phase) may be synthesized in this way on the rutile TiO2(011) substrate.

Effects of exposure to nano and bulk sized TiO2 and CuO in Lemna minor.

Science.gov (United States)

Dolenc Koce, Jasna

2017-10-01

Nanoparticles of TiO 2 and CuO are among most commonly used nanoparticles, and elevated concentrations of them are expected to be found in all environments, including aquatic. A standard growth inhibition test ISO/CD 20079 was used to determine the toxicity of nano sized and larger micro sized (bulk) particles in the concentrations of 0.1, 1, 10, 100 and 1000 μM CuO and TiO 2 on common duckweed (Lemna minor L.). Both nano and bulk CuO particles caused changes in the structure and function of treated plants. The number of fronds and colonies decreased by as much as 78%, the length of roots and fronds decreased by 99% and 14%, respectively. Furthermore, photochemical efficiency was reduced by up to 35%, and the activities of antioxidative enzymes guaiacol peroxidase, ascorbate peroxidase and glutathione reductase increased by more than 240%. The altered physiological state of the CuO exposed plants was also reflected in the elevated occurrence of necrosis and bleaching in the duckweed colonies. Nano sized particles of CuO proved more phytotoxic than bulk particles, and the effects of both studied CuO sizes were concentration dependent. On the other hand, both bulk and nano sized particles of TiO 2 caused no severe phytotoxic effects, there was no concentration dependence and they could be considered as non-harmful to common duckweed. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

Free standing bulk metallic glass microcomponents: Tooling considerations

DEFF Research Database (Denmark)

Byrne, Cormac; Eldrup, Morten Mostgaard; Ohnuma, Masato

2010-01-01

Bulk metallic glasses have enormous potential for use in small-scale devices such as MEMS and biomedical components. Thermoplastic forging of free standing components poses challenges unlike those seen when forging crystalline materials. Central to these challenges is the simultaneous advantage/disadvantage...

Bulk-plasmon contribution to the work function of metals

International Nuclear Information System (INIS)

Gutierrez, F A; DIaz-Valdes, J; Jouin, H

2007-01-01

By consideration of the Koopmans theorem expression for the work function of a metal, we find that the total height of the surface barrier potential equals the value of the bulk-plasmon energy of pure metals. As a consequence a simple formula for the work function is obtained which shows better agreement with the experimental data than the most complete existent theories

The kinetic glass transition of the Zr46.75Ti8.25Cu7.5Ni10Be27.5 bulk metallic glass former-supercooled liquids on a long time scale

International Nuclear Information System (INIS)

Busch, R.; Johnson, W.L.

1998-01-01

Viscosity and enthalpy relaxation from the amorphous state into the supercooled liquid state was investigated in the bulk metallic glass forming Zr 46.75 Ti 8.25 Cu 7.5 Ni 10 Be 27.5 alloy below the calorimetric glass transition. At different temperatures, the viscosities relax into states that obey the same Vogel endash Fulcher endash Tammann relation as the data obtained at higher temperatures in the supercooled liquid. Enthalpy recovery experiments after relaxation in the same temperature range show that the enthalpy of the material reaches values that also corresponds to the supercooled liquid state. The glass relaxes into a metastable supercooled liquid state, if it is observed on a long time scale. Equilibration is possible far below the calorimetric glass transition and very likely even below the isentropic temperature. copyright 1998 American Institute of Physics

Tuning the relative concentration ratio of bulk defects to surface defects in TiO2 nanocrystals leads to high photocatalytic efficiency.

Science.gov (United States)

Kong, Ming; Li, Yuanzhi; Chen, Xiong; Tian, Tingting; Fang, Pengfei; Zheng, Feng; Zhao, Xiujian

2011-10-19

TiO(2) nanocrystals with tunable bulk/surface defects were synthesized and characterized with TEM, XRD, BET, positron annihilation, and photocurrent measurements. The effect of defects on photocatalytic activity was studied. It was found for the first time that decreasing the relative concentration ratio of bulk defects to surface defects in TiO(2) nanocrystals could significantly improve the separation efficiency of photogenerated electrons and holes, thus significantly enhancing the photocatalytic efficiency.

Molecular dynamics study of the ternary Cu50Ti25Zr25 bulk glass forming alloy

Directory of Open Access Journals (Sweden)

Celtek M.

2011-05-01

Full Text Available The structure and thermodynamic properties of a ternary Cu50Ti25Zr25 metallic glass forming alloy in solid-liquid to glass phases were studied using molecular dynamics (MD method based on tight-binding (TB potentials. An atomic description of the melting, glass formation and crystallization process has been analyzed using different heating and cooling rates. The computed Glass Forming Ability (GFA parameters are in good agreement with experimental data. The structure analysis of the Cu50Ti25Zr25 based on molecular dynamics simulation will be also presented and compared with available MD results. We have also discussed the crystallization transition with two different interatomic potentials used in this work

First-principles predictions of structural, mechanical and electronic properties of βTiNb under high pressure

Science.gov (United States)

Wang, Z. P.; Fang, Q. H.; Li, J.; Liu, B.

2018-04-01

Structural, mechanical and electronic properties of βTiNb alloy under high pressure have been investigated based on the density functional theory (DFT). The dependences of dimensionless volume ratio, elastic constants, bulk modulus, Young's modulus, shear modulus, ductile/brittle, anisotropy and Poisson's ratio on applied pressure are all calculated successfully. The results reveal that βTiNb alloy is mechanically stable under pressure below 23.45 GPa, and the pressure-induced phase transformation could occur beyond this critical value. Meanwhile, the applied pressure can effectively promote the mechanical properties of βTiNb alloy, including the resistances to volume change, elastic deformation and shear deformation, as well as the material ductility and metallicity. Furthermore, the calculated electronic structures testify that βTiNb alloy performs the metallicity and the higher pressure reduces the structural stability of unit cell.

Mechanically durable underwater superoleophobic surfaces based on hydrophilic bulk metals for oil/water separation

Science.gov (United States)

Yu, Huadong; Lian, Zhongxu; Xu, Jinkai; Wan, Yanling; Wang, Zuobin; Li, Yiquan; Yu, Zhanjiang; Weng, Zhankun

2018-04-01

Despite the success of previous methods for fabricating underwater superoleophobic surfaces, most of the surfaces based on soft materials are prone to collapse and deformation due to their mechanically fragile nature, and they fail to perform their designed functions after the surface materials are damaged in water. In this work, the nanosecond laser-induced oxide coatings on hydrophilic bulk metals are reported which overcomes the limitation and shows the robust underwater superoleophobicity to a mechanical challenge encountered by surfaces deployed in water environment. The results show that the surface materials have the advantage that the underwater superoleophobicity is still preserved after the surfaces are scratched by knife or sandpaper and even completely destroyed because of the hydrophilic property of damaged materials in water. It is important that the results provide a guide for the design of durable underwater superoleophobic surfaces, and the development of superoleophobic materials in many potential applications such as the oil-repellent and the oil/water separation. Additionally, the nanosecond laser technology is simple, cost-effective and suitable for the large-area and mass fabrication of mechanically durable underwater superoleophobic metal materials.

In situ visualization of Ni-Nb bulk metallic glasses phase transition

OpenAIRE

Oreshkin, A. I.; Mantsevich, V. N.; Savinov, S. V.; Oreshkin, S. I.; Panov, V. I.; Yavari, A. R.; Miracle, D. B.; Louzguine-Luzgin, D. V.

2013-01-01

We report the results of the Ni-based bulk metallic glass structural evolution and crystallization behavior in situ investigation. The X-ray diffraction (XRD), transmission electron microscopy (TEM), nano-beam diffraction (NBD), differential scanning calorimetry (DSC), radial distribution function (RDF) and scanning probe microscopy/spectroscopy (STM/STS) techniques were applied to analyze the structure and electronic properties of Ni63.5Nb36.5 glasses before and after crystallization. It was...

Mechanical improvement of metal reinforcement rings for a finite ring-shaped superconducting bulk

Science.gov (United States)

Huang, Chen-Guang; Zhou, You-He

2018-03-01

As a key technique, reinforcement of type-II superconducting bulks with metal rings can efficiently improve their mechanical properties to enhance the maximum trapped field. In this paper, we study the magnetostrictive and fracture behaviors of a finite superconducting ring bulk reinforced by three typical reinforcing structures composed of metal rings during the magnetizing process by means of the minimization of magnetic energy and the finite element method. After a field-dependent critical current density is adopted, the magnetostriction, pinning-induced stress, and crack tip stress intensity factor are calculated considering the demagnetization effects. The results show that the mechanical properties of the ring bulk are strongly dependent on the reinforcing structure and the material and geometrical parameters of the metal rings. Introducing the metal ring can significantly reduce the hoop stress, and the reduction effect by internal reinforcement is much improved relative to external reinforcement. By comparison, bilateral reinforcement seems to be the best candidate structure. Only when the metal rings have particular Young's modulus and radial thickness will they contribute to improve the mechanical properties the most. In addition, if an edge crack is pre-existing in the ring bulk, the presence of metal rings can effectively avoid crack propagation since it reduces the crack tip stress intensity factor by nearly one order of magnitude.

Oxidation behaviour of bulk W-Cr-Ti alloys prepared by mechanical alloying and HIPing

International Nuclear Information System (INIS)

García-Rosales, C.; López-Ruiz, P.; Alvarez-Martín, S.; Calvo, A.; Ordás, N.; Koch, F.; Brinkmann, J.

2014-01-01

Self-passivating tungsten based alloys are expected to provide a major safety advantage compared to pure tungsten when used as first wall armour of future fusion reactors, due to the formation of a protective oxide scale, preventing the formation of volatile and radioactive WO 3 in case of a loss of coolant accident with simultaneous air ingress. In this work results of isothermal oxidations tests at 800 and 1000 °C on bulk alloy WCr12Ti2.5 performed by thermogravimetric analysis (TGA) and by exposure to flowing air in a furnace are presented. In both cases a thin, dense Cr 2 O 3 layer is found at the outer surface, below which a Cr 2 WO 6 scale and Ti 2 CrO 5 layers alternating with WO 3 are formed. The Cr 2 O 3 , Cr 2 WO 6 and Ti 2 CrO 5 scales act as protective barriers against fast inward O 2− diffusion. The oxidation kinetics seems to be linear for the furnace exposure tests while for the TGA tests at 800 °C the kinetics is first parabolic, transforming into linear after an initial phase. The linear oxidation rates are 2–3 orders of magnitude lower than for pure W

Half-metallic ferromagnetism with low magnetic moment in zinc-blende TiBi from first-principles calculations

International Nuclear Information System (INIS)

Chen, Zhi-Yuan; Xu, Bin; Gao, G.Y.

2013-01-01

The structural, electronic and magnetic properties of zinc-blende TiBi are investigated by using the first-principles full-potential linearized augmented plane-wave method. It is found that zinc-blende TiBi exhibits half-metallic ferromagnetism with the energy gap of 1.39 eV in the minority-spin channel. The calculated total magnetic moment of 1.00 µ B per formula unit mainly originates from the Ti atom. We also show that the half-metallicity of zinc-blende TiBi can be maintained up to 3% compression and 5% expansion of lattice constant with respect to the equilibrium lattice, and zinc-blende TiBi is still half-metallic when the spin–orbit coupling is considered. The robust half-metallicity and low magnetic moment make zinc-blende TiBi a potential candidate for spintronic applications. - Highlights: • Half-metallic ferromagnetism in zinc-blende TiBi. • Zinc-blende TiBi has low magnetic moment of 1.00 µ B /f.u. • Spin–orbit coupling does not destroy the half-metallicity of zinc-blende TiBi

Bulk metal concentrations versus total suspended solids in rivers: Time-invariant & catchment-specific relationships.

Science.gov (United States)

Nasrabadi, Touraj; Ruegner, Hermann; Schwientek, Marc; Bennett, Jeremy; Fazel Valipour, Shahin; Grathwohl, Peter

2018-01-01

Suspended particles in rivers can act as carriers of potentially bioavailable metal species and are thus an emerging area of interest in river system monitoring. The delineation of bulk metals concentrations in river water into dissolved and particulate components is also important for risk assessment. Linear relationships between bulk metal concentrations in water (CW,tot) and total suspended solids (TSS) in water can be used to easily evaluate dissolved (CW, intercept) and particle-bound metal fluxes (CSUS, slope) in streams (CW,tot = CW + CSUS TSS). In this study, we apply this principle to catchments in Iran (Haraz) and Germany (Ammer, Goldersbach, and Steinlach) that show differences in geology, geochemistry, land use and hydrological characteristics. For each catchment, particle-bound and dissolved concentrations for a suite of metals in water were calculated based on linear regressions of total suspended solids and total metal concentrations. Results were replicable across sampling campaigns in different years and seasons (between 2013 and 2016) and could be reproduced in a laboratory sedimentation experiment. CSUS values generally showed little variability in different catchments and agree well with soil background values for some metals (e.g. lead and nickel) while other metals (e.g. copper) indicate anthropogenic influences. CW was elevated in the Haraz (Iran) catchment, indicating higher bioavailability and potential human and ecological health concerns (where higher values of CSUS/CW are considered as a risk indicator).

Trace metals in bulk precipitation and throughfall in a suburban area of Japan

Science.gov (United States)

Hou, H.; Takamatsu, T.; Koshikawa, M. K.; Hosomi, M.

Throughfall and bulk precipitation samples were collected monthly for 1.5 years over bare land and under canopies of Japanese cedar ( Cryptomeria japonica), Japanese red pine ( Pinus densiflora), Japanese cypress ( Chamaecyparis obtusa), and bamboo-leafed oak ( Quercus myrsinaefolia) in a suburban area of Japan. Samples were analyzed for dissolved Al, Mn, Fe, Cu, Zn, Ag, In, Sn, Sb and Bi by ICP-AES and ICP-MS. The metal concentrations were higher in throughfall, especially that of C. japonica, than bulk precipitation. Enrichment ratios (ERs: ratios of metal concentrations in throughfall to those in bulk precipitation) ranged from 2.5 (Zn) to 5.3 (Ag) (3.9 on average), and ERs for slightly soluble metals were generally higher than those for easily soluble metals. Concentrations of Mn, Fe, Cu, and Zn accounted for 99% of the total concentration of heavy metals in rainwater, whereas those of rare metals such as Ag, In, Sn, and Bi totaled rare metals were 0.002 and 0.010 μg l -1 for Ag, 0.001 and 0.005 μg l -1 for In, 0.062 and 0.21 μg l -1 for Sn, and 0.006 and 0.023 μg l -1 for Bi in bulk precipitation and throughfall, respectively. The metal concentrations in rainwater were negatively correlated to the volume of rainwater, indicating that washout is the main mechanism that incorporates metals into rainwater. From the enrichment factors, that is, (X/Al) rain/(X/Al) crust, metals other than Fe were shown to be more enriched in rainwater than in the Earth's crust, including those present as a result of leaching from soil dust (Mn) and from anthropogenic sources (Cu, Zn, Ag, In, Sn, Sb, and Bi).

Novel bioactive materials developed by simulated body fluid evaluation: Surface-modified Ti metal and its alloys.

Science.gov (United States)

Kokubo, Tadashi; Yamaguchi, Seiji

2016-10-15

Until the discovery of the bone-bonding activity of Bioglass by Hench et al. in the early 1970s, it had not been demonstrated that a synthetic material could bond to living bone without eliciting a foreign body reaction. Since then, various kinds of materials based on calcium phosphate, such as sintered hydroxyapatite and β-tricalcium phosphate have also been shown to bond to living bone. Until the discovery of the bone-bonding activity of Ti metal formed with a sodium titanate surface layer by the present authors in 1996, it had not been shown that a metallic material could bond to living bone. Since then, various kinds of surface-modified Ti metal and its alloys have been found to bond to living bone. Until the discovery of the osteoinduction of porous hydroxyapatite by Yamasaki in 1990, it was unknown whether a synthetic material could induce bone formation even in muscle tissue. Since then, various kinds of porous calcium phosphate ceramics have been shown to induce osteoinduction. Until the discovery of osteoinduction induced by a porous Ti metal formed with a titanium oxide surface layer by Fujibayashi et al. in 2004, it had been unclear whether porous metals would be able to induce osteoinduction. These novel bioactive materials have been developed by systematic research into the apatite formation that occurs on surface-modified Ti metal and its related materials in an acellular simulated body fluid (SBF) having ion concentrations almost equal to those of human blood plasma. Some of the novel bioactive materials based on Ti metal are already in clinical use or clinical trials, such as artificial hip joints and spinal fusion devices. In the present paper, we review how these novel bioactive materials based on Ti metal have been developed based on an evaluation of apatite formation in SBF. Without the SBF evaluation, these novel bioactive materials would most likely never have been developed. On the basis of systematic study of apatite formation on a material

Elastic properties of superconducting bulk metallic glasses

International Nuclear Information System (INIS)

Hempel, Marius

2015-01-01

Within the framework of this thesis the elastic properties of a superconducting bulk metallic glass between 10 mK and 300 K were first investigated. In order to measure the entire temperature range, in particular the low temperature part, new experimental techniques were developed. Using an inductive readout scheme for a double paddle oscillator it was possible to determine the internal friction and the relative change of sound velocity of bulk metallic glasses with high precision. This allowed for a detailed comparison of the data with different models. The analysis focuses on the low temperature regime where the properties of glassy materials are governed by atomic tunneling systems as described by the tunneling model. The influence of conduction electrons in the normal conducting state and quasiparticles in the superconducting state of the glass were accounted for in the theoretical description, resulting in a good agreement over a large temperature range between measured data and prediction of the tunneling model. This allowed for a direct determination of the coupling constant between electrons and tunneling systems. In the vicinity of the transition temperature Tc the data can only be described if a modified distribution function of the tunneling parameters is applied.

Formation of centimeter Fe-based bulk metallic glasses in low vacuum environment

Energy Technology Data Exchange (ETDEWEB)

Pan Jie; Chen Qi; Li Ning [State Key Lab of Materials Processing and Mould Technology, Department of Materials Science and Technology, Huazhong University of Science and Technology, 430074 Wuhan (China); Liu Lin [State Key Lab of Materials Processing and Mould Technology, Department of Materials Science and Technology, Huazhong University of Science and Technology, 430074 Wuhan (China)], E-mail: lliu2000@public.wh.hb.cn

2008-09-08

The formation of a Fe{sub 43.7}Co{sub 7.3}Cr{sub 14.7}Mo{sub 12.6}C{sub 15.5}B{sub 4.3}Y{sub 1.9} bulk metallic glass (BMG) was attempted in low vacuum environment and in air using commercial raw materials. The glass forming ability of the Fe-based alloys was studied by X-ray diffraction (XRD), differential scanning calorimetry (DSC) and differential thermal analyzer (DTA). It was found that cylindric rods with diameters ranging from 10 mm to 5 mm could be successfully fabricated by copper-mold casting in the pressures from 1.5 Pa to 10{sup 5} Pa (10{sup 5} Pa = 1 atm). All BMGs exhibit a distinct glass transition and wide supercooled liquid region. The preparation condition seems not significantly affected by the thermodynamic parameters of BMG, such as supercooled liquid region, glass transition temperature and melting process. The oxygen content of the alloys prepared in different vacuum conditions was measured by a LECO oxygen analyzer, which revealed that the oxygen content was less than 100 ppm for all BMGs prepared, even in air. The good glass forming ability and excellent oxidation resistance for the present Fe-based alloy are discussed.

Electronic and optical properties of titanium nitride bulk and surfaces from first principles calculations

Science.gov (United States)

Mehmood, Faisal; Pachter, Ruth; Murphy, Neil R.; Johnson, Walter E.

2015-11-01

Prediction of the frequency-dependent dielectric function of thin films poses computational challenges, and at the same time experimental characterization by spectroscopic ellipsometry remains difficult to interpret because of changes in stoichiometry and surface morphology, temperature, thickness of the film, or substrate. In this work, we report calculations for titanium nitride (TiN), a promising material for plasmonic applications because of less loss and other practical advantages compared to noble metals. We investigated structural, electronic, and optical properties of stoichiometric bulk TiN, as well as of the TiN(100), TiN(110), and TiN(111) outermost surfaces. Density functional theory (DFT) and many-body GW methods (Green's (G) function-based approximation with screened Coulomb interaction (W)) were used, ranging from G0W0, GW0 to partially self-consistent sc-GW0, as well as the GW-BSE (Bethe-Salpeter equation) and time-dependent DFT (TDDFT) methods for prediction of the optical properties. Structural parameters and the band structure for bulk TiN were shown to be consistent with previous work. Calculated dielectric functions, plasma frequencies, reflectivity, and the electron energy loss spectrum demonstrated consistency with experiment at the GW0-BSE level. Deviations from experimental data are expected due to varying experimental conditions. Comparison of our results to spectroscopic ellipsometry data for realistic nanostructures has shown that although TDDFT may provide a computationally feasible level of theory in evaluation of the dielectric function, application is subject to validation with GW-BSE calculations.

BaTiO3-based nanolayers and nanotubes: first-principles calculations.

Science.gov (United States)

Evarestov, Robert A; Bandura, Andrei V; Kuruch, Dmitrii D

2013-01-30

The first-principles calculations using hybrid exchange-correlation functional and localized atomic basis set are performed for BaTiO(3) (BTO) nanolayers and nanotubes (NTs) with the structure optimization. Both the cubic and the ferroelectric BTO phases are used for the nanolayers and NTs modeling. It follows from the calculations that nanolayers of the different ferroelectric BTO phases have the practically identical surface energies and are more stable than nanolayers of the cubic phase. Thin nanosheets composed of three or more dense layers of (0 1 0) and (0 1 1[overline]) faces preserve the ferroelectric displacements inherent to the initial bulk phase. The structure and stability of BTO single-wall NTs depends on the original bulk crystal phase and a wall thickness. The majority of the considered NTs with the low formation and strain energies has the mirror plane perpendicular to the tube axis and therefore cannot exhibit ferroelectricity. The NTs folded from (0 1 1[overline]) layers may show antiferroelectric arrangement of Ti-O bonds. Comparison of stability of the BTO-based and SrTiO(3)-based NTs shows that the former are more stable than the latter. Copyright © 2012 Wiley Periodicals, Inc.

Polarization Dependent Bulk-sensitive Valence Band Photoemission Spectroscopy and Density Functional Theory Calculations: Part I. 3d Transition Metals

Science.gov (United States)

Ueda, Shigenori; Hamada, Ikutaro

2017-12-01

The X-ray polarization dependent valence band HAXPES spectra of 3d transition metals (TMs) of Ti-Zn were measured to investigate the orbital resolved electronic structures by utilizing that the fact the photoionization cross-section of the atomic orbitals strongly depends on the experimental geometry. We have calculated the HAXPES spectra, which correspond to the cross-section weighted densities of states (CSW-DOSs), where the DOSs were obtained by the density functional theory calculations, and we have determined the relative photoionization cross-sections of the 4s and 4p orbitals to the 3d orbital in the 3d TMs. The experimentally obtained bulk-sensitive 3d and 4s DOSs were good agreement with the calculated DOSs in Ti, V, Cr, and Cu. In contrast, the deviations between the experimental and calculated 3d DOSs for Mn, Fe, Co, Ni were found, suggesting that the electron correlation plays an important role in the electronic structures for these materials.

Whiskers growth and self-healing in Ti-based metallic glasses during ion irradiation

Science.gov (United States)

Zhang, Kun; Hu, Zheng; Zhao, Ziqiang; Wei, Bingchen; Li, Yansen; Wei, Yuhang

2018-04-01

Ti-based metallic glasses were subjected to a 20 MeV Cl4+ ion radiation under liquid-nitrogen cooling. Their responses, as well as effects of the electronic excitation and nucleus-nucleus collision were evaluated. The collision cascade during irradiation typically changes the structure by increasing the liquid-like zone/cluster, or the content of the free volume. However, along the ion incident depth, the structure change is inhomogeneous. Numerous whiskers appear and aggregate on the side of the irradiation surface, which are several micrometers away from the edge. This corresponds with the maximum collision depth obtained by the Monte Carlo simulation, where nuclear loss plays a dominant role. Moreover, the liquid-like zone continually forms, which add to the whiskers growth and subsequent self-healing. Results suggest that the irradiation-induced local shear stress combines with the well-localized liquid-like zone results in the observed phenomena. This study demonstrates that metallic glasses have high morphological instability under ion irradiation, which assets can pave new paths for their further applications.

Atomic structure of Zr{sub 41.2}Ti{sub 13.8}Cu{sub 12.5}Ni{sub 10}Be{sub 22.5} bulk metallic glass alloy

Energy Technology Data Exchange (ETDEWEB)

Hui, X. [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China)], E-mail: huixd01@hotmail.com; Fang, H.Z.; Chen, G.L. [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China); Shang, S.L.; Wang, Y. [Department of Materials Science and Engineering, Pennsylvania State University, University Park, PA 16802 (United States); Qin, J.Y. [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University - Southern Campus, Jinan 250061 (China); Liu, Z.K. [Department of Materials Science and Engineering, Pennsylvania State University, University Park, PA 16802 (United States)

2009-01-15

Ab initio molecular dynamics (AIMD) calculations were performed on the atomic configuration of Zr{sub 41.2}Ti{sub 13.8}Cu{sub 12.5}Ni{sub 10}Be{sub 22.5} bulk metallic glass. The local structures were characterized in terms of structure factors (SF), pair correlation functions (PCF), coordinate numbers, bond pairs and Voronoi polyhedra. The glass transition temperature, generalized PCF and SF predicated by AIMD are in good agreement with the experimental data. Icosahedral short-range orders (ISRO) are found to be the most dominant, in view of the presence of the majority of bond pairs with 1551, 1541 and 1431, and Voronoi polyhedra with <0,3,6,1>, <0,2,8,1>, <0,0,12,0> and <0,2,8,4>. Icosahedral medium range orders (IMROs) are formed from icosahedra via the linkage of vertex-, edge-, face- and intercross-shared atoms. The glass structure on the nanometer scale is accumulated by polyhedra through an efficient packing mode. It is suggested that the extraordinary glass-forming ability of this alloy is essentially attributable to the formation of ISRO and IMRO, and the dense packing of atoms.

Microstructure and mechanical behavior of metal injection molded Ti-Nb binary alloys as biomedical material.

Science.gov (United States)

Zhao, Dapeng; Chang, Keke; Ebel, Thomas; Qian, Ma; Willumeit, Regine; Yan, Ming; Pyczak, Florian

2013-12-01

The application of titanium (Ti) based biomedical materials which are widely used at present, such as commercially pure titanium (CP-Ti) and Ti-6Al-4V, are limited by the mismatch of Young's modulus between the implant and the bones, the high costs of products, and the difficulty of producing complex shapes of materials by conventional methods. Niobium (Nb) is a non-toxic element with strong β stabilizing effect in Ti alloys, which makes Ti-Nb based alloys attractive for implant application. Metal injection molding (MIM) is a cost-efficient near-net shape process. Thus, it attracts growing interest for the processing of Ti and Ti alloys as biomaterial. In this investigation, metal injection molding was applied to the fabrication of a series of Ti-Nb binary alloys with niobium content ranging from 10wt% to 22wt%, and CP-Ti for comparison. Specimens were characterized by melt extraction, optical microscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive spectroscopy (EDS), and transmission electron microscopy (TEM). Titanium carbide formation was observed in all the as-sintered Ti-Nb binary alloys but not in the as-sintered CP-Ti. Selected area electron diffraction (SAED) patterns revealed that the carbides are Ti2C. It was found that with increasing niobium content from 0% to 22%, the porosity increased from about 1.6% to 5.8%, and the carbide area fraction increased from 0% to about 1.8% in the as-sintered samples. The effects of niobium content, porosity and titanium carbides on mechanical properties have been discussed. The as-sintered Ti-Nb specimens exhibited an excellent combination of high tensile strength and low Young's modulus, but relatively low ductility. © 2013 Elsevier Ltd. All rights reserved.

Brazing characteristics of a Zr-Ti-Cu-Fe eutectic alloy filler metal for Zircaloy-4

Science.gov (United States)

Lee, Jung G.; Lim, C. H.; Kim, K. H.; Park, S. S.; Lee, M. K.; Rhee, C. K.

2013-10-01

A Zr-Ti-Cu-Fe quaternary eutectic alloy was employed as a new Be-free brazing filler metal for Zircaloy-4 to supersede physically vapor-deposited Be coatings used conventionally with several disadvantages. The quaternary eutectic composition of Zr58Ti16Cu10Fe16 (at.%) showing a low melting temperature range from 832 °C to 853 °C was designed by a partial substitution of Zr with Ti based on a Zr-Cu-Fe ternary eutectic system. By applying an alloy ribbon with the determined composition, a highly reliable joint was obtained with a homogeneous formation of predominantly grown α-Zr phases owing to a complete isothermal solidification, exhibiting strength higher than that of Zircaloy-4. The homogenization of the joint was rate-controlled by the diffusion of the filler elements (Ti, Cu, and Fe) into the Zircaloy-4 base metal, and the detrimental segregation of the Zr2Fe phase in the central zone was completely eliminated by an isothermal holding at a brazing temperature of 920 °C for 10 min.

Potentiodynamic polarization studies of bulk amorphous alloy Zr57Cu15.4Ni12.6Al10Nb5 and Zr59Cu20Ni8Al10Ti3 in aqueous HNO3 media

International Nuclear Information System (INIS)

Sharma, Poonam; Dhawan, Anil; Jayraj, J.; Kamachi Mudali, U.

2013-01-01

The potentiodynamic polarization studies were carried out on Zr based bulk amorphous alloy Zr 57 Cu 15.4 Ni 12.6 Al 10 Nb 5 and Zr 59 Cu 20 Ni 8 Al 10 Ti 3 in solutions of 1 M, 6 M and 11.5 M HNO 3 aqueous media at room temperature. As received specimens of Zr 57 Cu 15.4 Ni 12.6 Al 10 Nb 5 (5 mm diameter rod) and Zr 59 Cu 20 Ni 8 Al 10 Ti 3 (3 mm diameter rod) were polished with SiC paper before testing them for potentiodynamic polarization studies. The amorphous nature of the specimens was checked by X-ray diffraction. The bulk amorphous alloy Zr 59 Cu 20 Ni 8 Al 10 Ti 3 shows the better corrosion resistance than Zr 57 Cu 15.4 Ni 12.6 Al 10 Nb 5 alloy in the aqueous HNO 3 media as the value of the corrosion current density (I corr ) for Zr 57 Cu 15.4 Ni 12.6 Al 10 Nb 5 alloy were found to be more than Zr 59 Cu 20 Ni 8 Al 10 Ti 3 alloy in aqueous HNO 3 media. The improved corrosion resistance of Zr 59 Cu 20 Ni 8 Al 10 Ti 3 alloy is possibly due to the presence of Ti and formation of TiO 2 during anodic oxidation. Both Zr based bulk amorphous alloys shows wider passive range at lower concentration of nitric acid and the passive region gets narrowed down with the increase in concentration. A comparison of data obtained from both the Zr-based bulk amorphous alloys is made and results are discussed in the paper. (author)

Corrosion behavior and pitting susceptibility of in-situ Ti-based metallic glass matrix composites in 3.5 wt.% NaCl solutions

Science.gov (United States)

Xu, K. K.; Lan, A. D.; Yang, H. J.; Han, P. D.; Qiao, J. W.

2017-11-01

The Ti62Zr12V13Cu4Be9, Ti58Zr16V10Cu4Be12, Ti46Zr20V12Cu5Be17, and Ti40Zr24V12Cu5Be19 metallic glass matrix composites (MGMCs) were prepared by copper mould casting. The corrosion resistance and the pitting susceptibility of Ti-based MGMCs were tested on their cross-sectional areas in 3.5 wt.% NaCl solutions by potentiodynamic polarization measurements. The composites with lower Ti contents (Ti40Zr24V12Cu5Be19 and Ti46Zr20V12Cu5Be17) exhibit a low resistance to the chloride induced pitting and local corrosion. The preferential dissolution of amorphous matrix is explained by the high chemical reactivity of beryllium element compared to that of stable dendrites and by the detected lower Ti and V contents. However, fairly good passivity was found in the composite with higher Ti contents (Ti62Zr12V13Cu4Be9). XPS measurements revealed that protective Ti-enriched oxide film was formed on the composite surface, additionally, lower content of beryllium element in amorphous matrix hinder the selective corrosion of amorphous matrix. The assessment of experimental observation leads to a proposed corrosion mechanism involving selective dissolution of amorphous matrix and chloride induced pitting process.

Influence of oxide and alloy formation on the Electrochemistry of Ti deposition from the NaCl-KCl-NaF-K-2 TiF6 melt reduced by metallic Ti

DEFF Research Database (Denmark)

Barner, Jens H. Von; Precht Noyé, Pernille; Barhoun, A

2005-01-01

The redox reactions in KCl-NaCl-NaF-K2TiF6 melts reduced by titanium metal have been studied by cyclic voltammetry and chronopotentiommetry. At platinum and nickel electrodes waves due to alloy formation were seen preceding the Ti(III) --> Ti metal deposition wave. The presence of oxide species...

Comparison of gate dielectric plasma damage from plasma-enhanced atomic layer deposited and magnetron sputtered TiN metal gates

Energy Technology Data Exchange (ETDEWEB)

Brennan, Christopher J.; Neumann, Christopher M.; Vitale, Steven A., E-mail: steven.vitale@ll.mit.edu [Lincoln Laboratory, Massachusetts Institute of Technology, Lexington, Massachusetts 02420 (United States)

2015-07-28

Fully depleted silicon-on-insulator transistors were fabricated using two different metal gate deposition mechanisms to compare plasma damage effects on gate oxide quality. Devices fabricated with both plasma-enhanced atomic-layer-deposited (PE-ALD) TiN gates and magnetron plasma sputtered TiN gates showed very good electrostatics and short-channel characteristics. However, the gate oxide quality was markedly better for PE-ALD TiN. A significant reduction in interface state density was inferred from capacitance-voltage measurements as well as a 1200× reduction in gate leakage current. A high-power magnetron plasma source produces a much higher energetic ion and vacuum ultra-violet (VUV) photon flux to the wafer compared to a low-power inductively coupled PE-ALD source. The ion and VUV photons produce defect states in the bulk of the gate oxide as well as at the oxide-silicon interface, causing higher leakage and potential reliability degradation.

An interatomic potential for studying CuZr bulk metallic glasses

DEFF Research Database (Denmark)

Paduraru, Anca; Kenoufi, Abdel; Bailey, Nicholas

2007-01-01

-scale deformation events and may furthermore involve localization through formation of shear bands. In this paper, an Effective Medium Theory (EMT) potential optimized for modeling the mechanical and thermodynamic properties of CuZr bulk metallic glass is studied. The late transition metals crystallizing in close......The mechanical properties of BMGs are remarkably different from the ones of ordinary metallic alloys due to the atomic level disorder in the glassy state. Unlike crystalline materials plastic deformation in metallic glasses cannot be caused by lattice defects but takes place through atomic...

Interface control in BaTiO3 based supercapacitors

Science.gov (United States)

Maglione, Mario; Elissalde, Catherine; Chung, U.-Chan

2010-03-01

Core shell BaTiO3 based particles sintered using advanced processes provide a high control of grain boundaries in bulk composites. As a result, supercapacitor behavior was evidenced which came from the balance between inner grain conductivity and grain boundary dielectric barrier. Thanks to the core-shell structure of the starting particles, improved control of the effective dielectric parameters can be achieved.

Oxidation behaviour of bulk W-Cr-Ti alloys prepared by mechanical alloying and HIPing

Energy Technology Data Exchange (ETDEWEB)

García-Rosales, C., E-mail: cgrosales@ceit.es [CEIT and Tecnun (University of Navarra), E-20018 San Sebastian (Spain); López-Ruiz, P.; Alvarez-Martín, S.; Calvo, A.; Ordás, N. [CEIT and Tecnun (University of Navarra), E-20018 San Sebastian (Spain); Koch, F.; Brinkmann, J. [Max-Planck-Institut für Plasmaphysik (IPP), EURATOM Association, D-85748 Garching (Germany)

2014-10-15

Self-passivating tungsten based alloys are expected to provide a major safety advantage compared to pure tungsten when used as first wall armour of future fusion reactors, due to the formation of a protective oxide scale, preventing the formation of volatile and radioactive WO{sub 3} in case of a loss of coolant accident with simultaneous air ingress. In this work results of isothermal oxidations tests at 800 and 1000 °C on bulk alloy WCr12Ti2.5 performed by thermogravimetric analysis (TGA) and by exposure to flowing air in a furnace are presented. In both cases a thin, dense Cr{sub 2}O{sub 3} layer is found at the outer surface, below which a Cr{sub 2}WO{sub 6} scale and Ti{sub 2}CrO{sub 5} layers alternating with WO{sub 3} are formed. The Cr{sub 2}O{sub 3}, Cr{sub 2}WO{sub 6} and Ti{sub 2}CrO{sub 5} scales act as protective barriers against fast inward O{sup 2−} diffusion. The oxidation kinetics seems to be linear for the furnace exposure tests while for the TGA tests at 800 °C the kinetics is first parabolic, transforming into linear after an initial phase. The linear oxidation rates are 2–3 orders of magnitude lower than for pure W.

Controlled Confinement of Half-metallic 2D Electron Gas in BaTiO3/Ba2FeReO6/BaTiO3 Heterostructures: A First-principles Study

Science.gov (United States)

Saha-Dasgupta, Tanusri; Baidya, Santu; Waghmare, Umesh; Paramekanti, Arun

Using density functional theory calculations, we establish that the half-metallicity of bulk Ba2FeReO6 survives down i to 1 nm thickness in BaTiO3/Ba2FeReO6/BaTiO3 heterostructures grown along the (001) and (111) directions. The confinement of the two-dimensional (2D) electron gas in this quantum well structure arises from the suppressed hybridization between Re/Fe d states and unoccupied Ti d states, and it is further strengthened by polar fields for the (111) direction. This mechanism, distinct from the polar catastrophe, leads to an order of magnitude stronger confinement of the 2D electron gas than that at the LaAlO3/SrTiO3 interface. We further show low-energy bands of (111) heterostructure display nontrivial topological character. Our work opens up the possibility of realizing ultra-thin spintronic devices. Journal Ref: Phys. Rev. B 92, 161106(R) (2015) S.B. and T.S.D thank Department of Science and Technology, India for the support through Thematic Unit of Excellence. AP was supported by NSERC (Canada).

Molecular orbital (SCF-Xα-SW) theory of metal-metal charge transfer processes in minerals - II. Application to Fe2+ --> Ti4+ charge transfer transitions in oxides and silicates

Science.gov (United States)

Sherman, David M.

1987-01-01

A molecular orbital description, based on Xα-Scattered wave calculations on a (FeTiO10)14− cluster, is given for Fe2+ → Ti4+ charge transfer transitions in minerals. The calculated energy for the lowest Fe2+ → Ti4+ metal-metal charge transfer transition is 18040 cm−1 in reasonable agreement with energies observed in the optical spectra of Fe-Ti oxides and silicates. As in the case of Fe2+ → Fe3+ charge transfer in mixed-valence iron oxides and silicates, Fe2+ → Ti4+ charge transfer is associated with Fe-Ti bonding across shared polyhedral edges. Such bonding results from the overlap of the Fe(t 2g ) and Ti(t 2g ) 3d orbitals.

Quantum and Classical Magnetoresistance in Ambipolar Topological Insulator Transistors with Gate-tunable Bulk and Surface Conduction

Science.gov (United States)

Tian, Jifa; Chang, Cuizu; Cao, Helin; He, Ke; Ma, Xucun; Xue, Qikun; Chen, Yong P.

2014-01-01

Weak antilocalization (WAL) and linear magnetoresistance (LMR) are two most commonly observed magnetoresistance (MR) phenomena in topological insulators (TIs) and often attributed to the Dirac topological surface states (TSS). However, ambiguities exist because these phenomena could also come from bulk states (often carrying significant conduction in many TIs) and are observable even in non-TI materials. Here, we demonstrate back-gated ambipolar TI field-effect transistors in (Bi0.04Sb0.96)2Te3 thin films grown by molecular beam epitaxy on SrTiO3(111), exhibiting a large carrier density tunability (by nearly 2 orders of magnitude) and a metal-insulator transition in the bulk (allowing switching off the bulk conduction). Tuning the Fermi level from bulk band to TSS strongly enhances both the WAL (increasing the number of quantum coherent channels from one to peak around two) and LMR (increasing its slope by up to 10 times). The SS-enhanced LMR is accompanied by a strongly nonlinear Hall effect, suggesting important roles of charge inhomogeneity (and a related classical LMR), although existing models of LMR cannot capture all aspects of our data. Our systematic gate and temperature dependent magnetotransport studies provide deeper insights into the nature of both MR phenomena and reveal differences between bulk and TSS transport in TI related materials. PMID:24810663

Efficient polymer:fullerene bulk heterojunction solar cells with n-type doped titanium oxide as an electron transport layer

Energy Technology Data Exchange (ETDEWEB)

Choi, Youna [Heeger Center for Advanced Material & Research Institute of Solar and Sustainable Energies, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of); Kim, Geunjin [School of Materials Science and Engineering, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of); Kim, Heejoo, E-mail: heejook@gist.ac.kr [Heeger Center for Advanced Material & Research Institute of Solar and Sustainable Energies, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of); Kim, Sun Hee [School of Materials Science and Engineering, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of); Lee, Kwanghee, E-mail: klee@gist.ac.kr [Heeger Center for Advanced Material & Research Institute of Solar and Sustainable Energies, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of); School of Materials Science and Engineering, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of)

2015-05-29

We have reported a highly n-type doped solution-processed titanium metal oxide (TiO{sub x}) for use as an efficient electron-transport layer (ETL) in polymer:fullerene bulk heterojunction (BHJ) solar cells. When the metal ions (Ti) in TiO{sub x} are partially substituted by niobium (Nb), the charge carrier density increased, by an order of magnitude, because of the large electronegativity of Nb compared to that of Ti. Therefore, the work function (WF) of Nb-doped metal oxide (Nb-TiO{sub x}) decreases from 4.75 eV (TiO{sub x}) to 4.66 eV (Nb-TiO{sub x}), leading to an enhancement in the power conversion efficiency (PCE) of BHJ solar cells with a Nb-TiO{sub x} ETL (from 7.99% to 8.40%). - Highlights: • Solution processable Nb-doped TiO{sub x} was developed by simple sol-gel synthesis. • Charge carrier density in TiO{sub x} is significantly increased by introducing Nb element. • The work function value of Nb-doped TiO{sub x} is reduced by introducing Nb element. • A charge recombination inside of PSC with Nb-TiO{sub x} was effectively suppressed.

Thermal stability and magnetocaloric properties of GdDyAlCo bulk metallic glasses

Energy Technology Data Exchange (ETDEWEB)

Liang, L. [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China); Hui, X. [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China)], E-mail: huixd01@hotmail.com; Chen, G.L. [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China)

2008-01-25

Gd{sub 56-x}Dy{sub x}Al{sub 24}Co{sub 20} (x = 16, 20 and 22) bulk metallic glasses (BMGs) alloys with a diameter of 2, 3 and 3 mm, respectively, were prepared by using copper mold casting. These alloys exhibit higher values of the glass transition temperature, crystallization temperature, and activation energy of the glass transition and crystallization, compared with those of other known rare-earth-based BMGs. A maximum magnetic entropy changes of 15.78 J/(kg K) is obtained in Gd{sub 40}Dy{sub 16}Al{sub 24}Co{sub 20}, which is the maximal among all the bulk metallic glasses, and is much larger than those of the known crystalline magnetic refrigerant compound Gd{sub 5}Si{sub 2}Ge{sub 1.9}Fe{sub 0.1} and pure Gd metal. All the three BMG alloys have a broader temperature range of the entropy change peak, resulting in larger refrigerate capacities (RC) than those of conventional crystalline materials. The excellent magnetocaloric properties combining with high thermal stability make them an attractive candidate for magnetic refrigerants in the temperature range of 20-100 K.

Carbon nanotubes grown on bulk materials and methods for fabrication

Science.gov (United States)

Menchhofer, Paul A [Clinton, TN; Montgomery, Frederick C [Oak Ridge, TN; Baker, Frederick S [Oak Ridge, TN

2011-11-08

Disclosed are structures formed as bulk support media having carbon nanotubes formed therewith. The bulk support media may comprise fibers or particles and the fibers or particles may be formed from such materials as quartz, carbon, or activated carbon. Metal catalyst species are formed adjacent the surfaces of the bulk support material, and carbon nanotubes are grown adjacent the surfaces of the metal catalyst species. Methods employ metal salt solutions that may comprise iron salts such as iron chloride, aluminum salts such as aluminum chloride, or nickel salts such as nickel chloride. Carbon nanotubes may be separated from the carbon-based bulk support media and the metal catalyst species by using concentrated acids to oxidize the carbon-based bulk support media and the metal catalyst species.

Feasibility of using bulk metallic glass for self-expandable stent applications.

Science.gov (United States)

Praveen Kumar, Gideon; Jafary-Zadeh, Mehdi; Tavakoli, Rouhollah; Cui, Fangsen

2017-10-01

Self-expandable stents are widely used to restore blood flow in a diseased artery segment by keeping the artery open after angioplasty. Despite the prevalent use of conventional crystalline metallic alloys, for example, nitinol, to construct self-expandable stents, new biomaterials such as bulk metallic glasses (BMGs) are being actively pursued to improve stent performance. Here, we conducted a series of analyses including finite element analysis and molecular dynamics simulations to investigate the feasibility of using a prototypical Zr-based BMG for self-expandable stent applications. We model stent crimping of several designs for different percutaneous applications. Our results indicate that BMG-based stents with diamond-shaped crowns suffer from severe localization of plastic deformation and abrupt failure during crimping. As a possible solution, we further illustrate that such abrupt failure could be avoided in BMG-based stents without diamond shape crowns. This work would open a new horizon for a quest toward exploiting superior mechanical and functional properties of metallic glasses to design future stents. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 105B: 1874-1882, 2017. © 2016 Wiley Periodicals, Inc.

Bulk amorphous Mg-based alloys

DEFF Research Database (Denmark)

Pryds, Nini

2004-01-01

are discussed in this paper. On the basis of these measurements phase diagrams of the different systems were constructed. Finally, it is demonstrated that when pressing the bulk amorphous alloy onto a metallic dies at temperatures within the supercooled liquid region, the alloy faithfully replicates the surface...

Silica-Based and Borate-Based, Titania-Containing Bioactive Coatings Characterization: Critical Strain Energy Release Rate, Residual Stresses, Hardness, and Thermal Expansion

Directory of Open Access Journals (Sweden)

Omar Rodriguez

2016-12-01

Full Text Available Silica-based and borate-based glass series, with increasing amounts of TiO2 incorporated, are characterized in terms of their mechanical properties relevant to their use as metallic coating materials. It is observed that borate-based glasses exhibit CTE (Coefficient of Thermal Expansion closer to the substrate’s (Ti6Al4V CTE, translating into higher mode I critical strain energy release rates of glasses and compressive residual stresses and strains at the coating/substrate interface, outperforming the silica-based glasses counterparts. An increase in the content of TiO2 in the glasses results in an increase in the mode I critical strain energy release rate for both the bulk glass and for the coating/substrate system, proving that the addition of TiO2 to the glass structure enhances its toughness, while decreasing its bulk hardness. Borate-based glass BRT3, with 15 mol % TiO2 incorporated, exhibits superior properties overall compared to the other proposed glasses in this work, as well as 45S5 Bioglass® and Pyrex.

A New Approach for Handling of Micro Parts in Bulk Metal Forming

DEFF Research Database (Denmark)

Mahshid, Rasoul; Hansen, Hans Nørgaard; Arentoft, M.

2012-01-01

of production [1]. This can fulfill the demands for mass production and miniaturization in industries and academic communities. According to the recent studies, topics related to materials, process and simulation have been investigated intensively and well documented. Machines, forming tools and handling...... systems are critical elements to complete micro forming technology for transferring knowledge to industries and toward miniature manufacturing systems (micro factory) [2]. Since most metal forming processes are multi stage, making a new handling system with high reliability on accuracy and speed...... have been optimized or handling systems based on new concepts for gripping and releasing micro parts have been proposed. Making a handling system for micro parts made by sheet metals or foils is easier than those in bulk metal forming because parts are attached to the sheet during the forming process...

Electronic and optical properties of titanium nitride bulk and surfaces from first principles calculations

International Nuclear Information System (INIS)

Mehmood, Faisal; Pachter, Ruth; Murphy, Neil R.; Johnson, Walter E.

2015-01-01

Prediction of the frequency-dependent dielectric function of thin films poses computational challenges, and at the same time experimental characterization by spectroscopic ellipsometry remains difficult to interpret because of changes in stoichiometry and surface morphology, temperature, thickness of the film, or substrate. In this work, we report calculations for titanium nitride (TiN), a promising material for plasmonic applications because of less loss and other practical advantages compared to noble metals. We investigated structural, electronic, and optical properties of stoichiometric bulk TiN, as well as of the TiN(100), TiN(110), and TiN(111) outermost surfaces. Density functional theory (DFT) and many-body GW methods (Green's (G) function-based approximation with screened Coulomb interaction (W)) were used, ranging from G 0 W 0 , GW 0 to partially self-consistent sc-GW 0 , as well as the GW-BSE (Bethe-Salpeter equation) and time-dependent DFT (TDDFT) methods for prediction of the optical properties. Structural parameters and the band structure for bulk TiN were shown to be consistent with previous work. Calculated dielectric functions, plasma frequencies, reflectivity, and the electron energy loss spectrum demonstrated consistency with experiment at the GW 0 -BSE level. Deviations from experimental data are expected due to varying experimental conditions. Comparison of our results to spectroscopic ellipsometry data for realistic nanostructures has shown that although TDDFT may provide a computationally feasible level of theory in evaluation of the dielectric function, application is subject to validation with GW-BSE calculations

Zr61Ti2Cu25Al12 metallic glass for potential use in dental implants: biocompatibility assessment by in vitro cellular responses.

Science.gov (United States)

Li, Jing; Shi, Ling-ling; Zhu, Zhen-dong; He, Qiang; Ai, Hong-jun; Xu, Jian

2013-05-01

In comparison with titanium and its alloys, Zr61Ti2Cu25Al12 (ZT1) bulk metallic glass (BMG) manifests a good combination of high strength, high fracture toughness and lower Young's modulus. To examine its biocompatibility required for potential use in dental implants, this BMG was used as a cell growth subtract for three types of cell lines, L929 fibroblasts, human umbilical vein endothelial cells (HUVEC), and osteoblast-like MG63 cells. For a comparison, these cell lines were in parallel cultured and grown also on commercially pure titanium (CP-Ti) and Ti6-Al4-V alloy (Ti64). Cellular responses on the three metals, including adhesion, morphology and viability, were characterized using the SEM visualization and CCK-8 assay. Furthermore, real-time RT-PCR was used to measure the activity of integrin β, alkaline phosphatase (ALP) and type I collagen (COL I) in adherent MG63 cells. As indicated, in all cases of three cell lines, no significant differences in the initial attachment and viability/proliferation were found between ZT1, CP-Ti, and Ti64 until 5d of incubation period. It means that the biocompatibility in cellular response for ZT1 BMG is comparable to Ti and its alloys. For gene expression of integrin β, ALP and COL I, mRNA level from osteoblast cells grown on ZT1 substrates is significantly higher than that on the CP-Ti and Ti64. It suggests that the adhesion and differentiation of osteoblasts grown on ZT1 are even superior to those on the CP-Ti and Ti64 alloy, then promoting bone formation. The good biocompatibility of ZT1 BMG is associated with the formation of zirconium oxide layer on the surface and good corrosion-resistance in physiological environment. Copyright © 2013 Elsevier B.V. All rights reserved.

A simple dissolved metals mixing method to produce high-purity MgTiO3 nanocrystals

International Nuclear Information System (INIS)

Pratapa, Suminar; Baqiya, Malik A.; Istianah,; Lestari, Rina; Angela, Riyan

2014-01-01

A simple dissolved metals mixing method has been effectively used to produce high-purity MgTiO 3 (MT) nanocrystals. The method involves the mixing of independently dissolved magnesium and titanium metal powders in hydrochloric acid followed by calcination. The phase purity and nanocrystallinity were determined by making use of laboratory x-ray diffraction data, to which Rietveld-based analyses were performed. Results showed that the method yielded only one type magnesium titanate powders, i.e. MgTiO 3 , with no Mg 2 TiO 4 or MgTi 2 O 5 phases. The presence of residual rutile or periclase was controlled by adding excessive Mg up to 5% (mol) in the stoichiometric mixing. The method also resulted in MT nanocrystals with estimated average crystallite size of 76±2 nm after calcination at 600°C and 150±4 nm (at 800°C). A transmission electron micrograph confirmed the formation of the nanocrystallites

Criticality in Bulk Metallic Glass Constituent Elements

Science.gov (United States)

Mota, Rodrigo Miguel Ojeda; Graedel, T. E.; Pekarskaya, Evgenia; Schroers, Jan

2017-11-01

Bulk metallic glasses (BMGs), which readily form amorphous phases during solidification, are increasingly being used in first applications of watch components, electronic casings, and sporting goods. The compositions of BMGs typically include four to six elements. Various political and geological factors have recently led to supply disruptions for several metals, including some present in BMG compositions. In this work, we assess the "criticality" of 22 technologically interesting BMG compositions, compare the results with those for three common engineering alloy groups, and derive recommendations for BMG composition choices from a criticality perspective. The criticality of BMGs is found to be generally much higher compared with those for the established engineering alloys. Therefore, criticality concerns should also be considered in the choice between existing and developing novel BMGs.

Diffusion behavior in the films of Nb-Ti systems

International Nuclear Information System (INIS)

Yoshitake, Michiko; Yoshihara, Kazuhiro

1990-01-01

The diffusion behavior of substrate element into a deposited film was investigated. The observed systems were a Nb film/Ti substrate and a Ti film/Nb substrate. When the Nb film/Ti substrate was heated in a vacuum, Ti diffused very rapidly in the Nb film. The pre-exponential factor of the diffusion constant of Ti in the Nb film was 5.6x10 -2 m 2 s -1 , and the activation energy was 220 kJmol -1 . The observed activation energy is about 60% of that of Ti in the bulk Nb. On the other hand, when the Ti film/Nb substrate was heated in a vacuum, Nb did not diffuse so rapidly. Titanium diffused through the Nb film rapidly and was concentrated on the surface of the Nb film. The chemical state of the concentrated Ti was metallic, and neither titanium oxides nor titanium carbide was observed. Therefore, the driving force of the rapid diffusion of Ti in the Nb film is considered as the reduction of the surface energy of Nb film. The difference in the diffusion behavior between Ti through the Nb film and Nb through the Ti film is explained supposing that the segregation of Ti reduces the surface energy of the Nb film but the segregation of Nb does not reduce the surface energy of the Ti film. After heating of the Nb film/Ti substrate for a long time, a new phase was formed at the interface between the Nb film and the Ti substrate. The chemical composition of the new phase is about 50% of Ti and 50% of Nb. This phase has not been reported in the phase diagram of the bulk Ti-Nb system. The surface area of the Nb film is considered to be quite large, so the contribution of surface energy to the thermodynamic state of the Nb film cannot be neglected. Therefore, the chemical potential of the film is different from that of the bulk. Then, the new phase, which does not exist in the phase diagram of the bulk system, is formed by an interaction of the films. (author)

Cavitation instability in bulk metallic glasses

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Dai L.H.

2015-01-01

Full Text Available Recent experiments have shown that fracture surfaces of bulk metallic glasses (BMGs usually exhibit an intriguing nanoscale corrugation like fractographic feature mediated by nanoscale void formation. We attribute the onset of this nanoscale corrugation to TTZs (tension transformation zones mediated cavitation. In our recent study, the spall experiments of Zr-based BMG using a single-stage light gas gun were performed. To uncover the mechanisms of the spallation damage nucleation and evolution, the samples were designed to be subjected to dynamic tensile loadings of identical amplitude but with different durations by making use of the multi-stress pulse and the double-flyer techniques. It is clearly revealed that the macroscopic spall fracture in BMGs originates from the nucleation, growth and coalescence of micro-voids. Then, a microvoid nucleation model of BMGs based on free volume theory is proposed, which indicates that the nucleation of microvoids at the early stage of spallation in BMGs is resulted from diffusion and coalescence of free volume. Furthermore, a theoretical model of void growth in BMGs undergoing remote dynamic hydrostatic tension is developed. The critical condition of cavitation instability is obtained. It is found that dynamic void growth in BMGs can be well controlled by a dimensionless inertial number characterizing the competition between intrinsic and extrinsic time scales. To unveil the atomic-level mechanism of cavitation, a systematic molecular dynamics (MD simulation of spallation behaviour of a binary metallic glass with different impact velocities was performed. It is found that micro-void nucleation is determined TTZs while the growth is controlled by shear transformation zones (STZs at atomic scale.

Mechanical properties and microstructure of commercial amorphous golf club heads made of Zr-Ti-Cu-Ni-Be bulk metallic glass

International Nuclear Information System (INIS)

Choi, Y.C.; Hong, S.I.

2007-01-01

Mechanical properties and microstructures of Zr 41.2 Ti 13.8 Cu 12.5 Ni 10 Be 22.5 (numbers indicate at.%) bulk metallic glass taken from commercial golf club heads were investigated at room temperature and 573 K. Transmission electron microscopy (TEM) and differential scanning calorimetry (DSC) indicate that the thin central section of the golf club head is amorphous and the outer rim of the head is crystallized. X-ray diffraction (XRD) analyses revealed the presence of Zr 2 Cu, ZrBe 2 , Cu 2 Ni and BeNi in the rim of the iron head. In the crystallized region, crystalline particles with the size of ∼1 μm were observed. At room temperature, amorphous sample (∼2100 MPa) revealed higher fracture stress than crystallized sample (∼1700 MPa). Crystallized sample fractured in the elastic region whereas the amorphous sample displayed some plasticity corresponding serrated flow before the fracture. The serrated flow region with some plasticity in the amorphous alloy results from strain hardening and repetitive shear band initiation and propagation. The crystallized alloy extracted from the thick part of the club fractured in the elastic region, at a much lower stress level than the amorphous, suggesting that relatively coarse crystal particles formed during cooling cause the brittle fracture. Scanning electron microscope observations revealed that the compressive fracture surface of the samples from the central thin section mainly consisted of vein-like structure, but the samples from the outer rim of the head showed mixture of vein-like structure and featureless brittle fracture morphology. At 573 K, both samples exhibited the decrease of strength and fractured in the elastic region. In this study, the effect of crystallization on the reliability and safety of golf club heads was also examined

Textural Evolution During Micro Direct Metal Deposition of NiTi Alloy

Science.gov (United States)

Khademzadeh, Saeed; Bariani, Paolo F.; Bruschi, Stefania

2018-03-01

In this research, a micro direct metal deposition process, newly developed as a potential method for micro additive manufacturing was used to fabricate NiTi builds. The effect of scanning strategy on grain growth and textural evolution was investigated using scanning electron microscope equipped with electron backscattered diffraction detector. Investigations showed that, the angle between the successive single tracks has an important role in grain size distribution and textural evolution of NiTi phase. Unidirectional laser beam scanning pattern developed a fiber texture; conversely, a backward and forward scanning pattern developed a strong ‖‖ RD texture on the surface of NiTi cubic samples produced by micro direct metal deposition.

Effect of metal selection and porcelain firing on the marginal accuracy of titanium-based metal ceramic restorations.

Science.gov (United States)

Shokry, Tamer E; Attia, Mazen; Mosleh, Ihab; Elhosary, Mohamed; Hamza, Tamer; Shen, Chiayi

2010-01-01

Titanium is the most biocompatible metal used for dental casting; however, there is concern about its marginal accuracy after porcelain application since this aspect has direct influence on marginal fit. The purpose of this study was to determine the effect that metal selection and the porcelain firing procedure have on the marginal accuracy of metal ceramic prostheses. Cast CP Ti, milled CP Ti, cast Ti-6Al-7Nb, and cast Ni-Cr copings (n=5) were fired with compatible porcelains (Triceram for titanium-based metals and VITA VMK 95 for Ni-Cr alloy). The Ni-Cr alloy fired with its porcelain served as the control. Photographs of metal copings placed on a master die were made. Marginal discrepancy was determined on the photographs using an image processing program at 8 predetermined locations before airborne-particle abrasion for porcelain application, after firing of the opaque layer, and after firing of the dentin layer. Repeated-measures 2-way ANOVA was used to investigate the effect of metal selection and firing stage, and paired t tests were used to determine the effect of each firing stage within each material group (alpha=.05). ANOVA showed that both metal selection and firing stage significantly influenced the measured marginal discrepancy (Pcast Ti-6Al-7Nb alloy (P=.003). Titanium copings fabricated by CAD/CAM demonstrated the least marginal discrepancy among all groups, while the base metal (Ni-Cr) groups exhibited the most discrepancy of all groups tested. Copyright 2010 The Editorial Council of the Journal of Prosthetic Dentistry. Published by Mosby, Inc. All rights reserved.

Formation of TiO2 domains in Poly (9-vinylcarbazole) thin film by hydrolysis-condensation of a metal alkoxide

International Nuclear Information System (INIS)

Barlier, V.; Bounor-Legare, V.; Alcouffe, P.; Boiteux, G.; Davenas, J.

2007-01-01

New organic-inorganic hybrid thin films based on Poly (9-vinylcarbazole) (P9VK) and Dioxide titanium (TiO 2 ) bulk-heterojunction were obtained by a hydrolysis-condensation (H-C) process of titanium (IV) isopropoxide in thin film. The TiO 2 distribution in the film was investigated by scanning electron microscopy. The results indicated that homogeneous TiO 2 particles around 100 nm were formed on the surface of the polymer thin film. Photoluminescence spectroscopy has been used to study the charge transfer efficiency in the photoactive layer and results were compared with a simplest elaboration route, the dispersion of TiO 2 anatase in a P9VK solution before spin coating. Results showed that TiO 2 elaborated by H-C exhibits a competitive quenching effect with TiO 2 anatase

Toxicity of nanoparticles of CuO, ZnO and TiO2 to microalgae Pseudokirchneriella subcapitata.

Science.gov (United States)

Aruoja, Villem; Dubourguier, Henri-Charles; Kasemets, Kaja; Kahru, Anne

2009-02-01

Toxicities of ZnO, TiO2 and CuO nanoparticles to Pseudokirchneriella subcapitata were determined using OECD 201 algal growth inhibition test taking in account potential shading of light. The results showed that the shading effect by nanoparticles was negligible. ZnO nanoparticles were most toxic followed by nano CuO and nano TiO2. The toxicities of bulk and nano ZnO particles were both similar to that of ZnSO4 (72 h EC50 approximately 0.04 mg Zn/l). Thus, in this low concentration range the toxicity was attributed solely to solubilized Zn2+ ions. Bulk TiO2 (EC50=35.9 mg Ti/l) and bulk CuO (EC50=11.55 mg Cu/l) were less toxic than their nano formulations (EC50=5.83 mg Ti/l and 0.71 mg Cu/l). NOEC (no-observed-effect-concentrations) that may be used for risk assessment purposes for bulk and nano ZnO did not differ (approximately 0.02 mg Zn/l). NOEC for nano CuO was 0.42 mg Cu/l and for bulk CuO 8.03 mg Cu/l. For nano TiO2 the NOEC was 0.98 mg Ti/l and for bulk TiO2 10.1 mg Ti/l. Nano TiO2 formed characteristic aggregates entrapping algal cells that may contribute to the toxic effect of nano TiO2 to algae. At 72 h EC50 values of nano CuO and CuO, 25% of copper from nano CuO was bioavailable and only 0.18% of copper from bulk CuO. Thus, according to recombinant bacterial and yeast Cu-sensors, copper from nano CuO was 141-fold more bioavailable than from bulk CuO. Also, toxic effects of Cu oxides to algae were due to bioavailable copper ions. To our knowledge, this is one of the first systematic studies on effects of metal oxide nanoparticles on algal growth and the first describing toxic effects of nano CuO towards algae.

Amorphous Ti-Zr

International Nuclear Information System (INIS)

Rabinkin, A.; Liebermann, H.; Pounds, S.; Taylor, T.

1991-01-01

This paper is the first report on processing, properties and potential application of amorphous titanium/zirconium-base alloys produced in the form of a good quality continuous and ductile ribbon having up to 12.5 mm width. To date, the majority of titanium brazing is accomplished using cooper and aluminum-base brazing filler metals. The brazements produced with these filler metals have rather low (∼300 degrees C) service temperature, thus impeding progress in aircraft and other technologies and industries. The attempt to develop a generation of high temperature brazing filler metals was made in the late sixties-early seventies studies in detail were a large number of Ti-, Zr-Ti-Zr, Ti-V and Zr-V-Ti based alloys. The majority of these alloys has copper and nickel as melting temperature depressants. The presence of nickel and copper converts them into eutectic alloys having [Ti(Zr)] [Cu(Ni)], intermetallic phases as major structural constituents. This, in turn, results in high alloy brittleness and poor, if any, processability by means of conventional, i.e. melting-ingot casting-deformation technology. In spite of good wettability and high joint strength achieved in dozens of promising alloys, only Ti-15Cu-15Ni is now widely used as a brazing filler metal for high service temperature. Up until now this material could not be produced as a homogeneous foil and is instead applied as a clad strip consisting of three separate metallic layers

Effects of Insert Metal Type on Interfacial Microstructure During Dissimilar Joining of TiAl Alloy to SCM440 by Friction Welding

Science.gov (United States)

Park, Jong-Moon; Kim, Ki-Young; Kim, Kyoung-Kyun; Ito, Kazuhiro; Takahashi, Makoto; Oh, Myung-Hoon

2018-03-01

Although the welding zone of direct bonding between a TiAl alloy and SCM440 can be obtained by friction welding, martensitic transformation and the formation of intermetallic compounds (IMCs) and cracks result in a lower tensile strength of the joints relative to those of other welding techniques. Insert metals were used as a buffer layer to relieve stress while increasing the bond strength. In this study, the microstructure and mechanical properties on welded joints of a TiAl alloy and SCM440 with various insert metals, were investigated. The TiAl/Cu/SCM440 and TiAl/Ni/SCM440 joints were fabricated using a servo-motor-type friction welding machine. As a result, it was confirmed that the formation of a welding flash was dependent on the insert metal type, and the strength of the base metal. At the TiAl/Cu/SCM440 interface, the formation of IMCs CuTiAl and Cu2TiAl was observed at TiAl/Cu, while no IMC formation was observed at Cu/SCM440. On the other hand, at the TiAl/Ni/SCM440 interface, several IMCs with more than 100 μm thickness were found, and roughly two compositions, viz., Ti2NiAl3 and TiNi2Al, were observed at the TiAl/Ni interface. At the Ni/SCM440 interface, 10 μm-thick FeNi and others were found.

Effects of Insert Metal Type on Interfacial Microstructure During Dissimilar Joining of TiAl Alloy to SCM440 by Friction Welding

Science.gov (United States)

Park, Jong-Moon; Kim, Ki-Young; Kim, Kyoung-Kyun; Ito, Kazuhiro; Takahashi, Makoto; Oh, Myung-Hoon

2018-05-01

Although the welding zone of direct bonding between a TiAl alloy and SCM440 can be obtained by friction welding, martensitic transformation and the formation of intermetallic compounds (IMCs) and cracks result in a lower tensile strength of the joints relative to those of other welding techniques. Insert metals were used as a buffer layer to relieve stress while increasing the bond strength. In this study, the microstructure and mechanical properties on welded joints of a TiAl alloy and SCM440 with various insert metals, were investigated. The TiAl/Cu/SCM440 and TiAl/Ni/SCM440 joints were fabricated using a servo-motor-type friction welding machine. As a result, it was confirmed that the formation of a welding flash was dependent on the insert metal type, and the strength of the base metal. At the TiAl/Cu/SCM440 interface, the formation of IMCs CuTiAl and Cu2TiAl was observed at TiAl/Cu, while no IMC formation was observed at Cu/SCM440. On the other hand, at the TiAl/Ni/SCM440 interface, several IMCs with more than 100 μm thickness were found, and roughly two compositions, viz., Ti2NiAl3 and TiNi2Al, were observed at the TiAl/Ni interface. At the Ni/SCM440 interface, 10 μm-thick FeNi and others were found.

Search for half-metallic magnets with large half-metallic gaps in the quaternary Heusler alloys CoFeTiZ and CoFeVZ (Z=Al, Ga, Si, Ge, As, Sb)

International Nuclear Information System (INIS)

Xiong, Lun; Yi, Lin; Gao, G.Y.

2014-01-01

We investigate the electronic structure and magnetic properties of the twelve quaternary Heusler alloys CoFeTiZ and CoFeVZ (Z=Al, Ga, Si, Ge, As, Sb) by using the first-principles calculations. It is shown that only CoFeTiSi, CoFeTiAs and CoFeVSb are half-metallic ferromagnets with considerable half-metallic gaps of 0.31, 0.18 and 0.17 eV, respectively. CoFeTiAl and CoFeTiGa are conventional semiconductors, and other alloys exhibit nearly half-metallicity or their half-metallic gaps are almost zero eV. We also find that the half-metallicities of CoFeTiSi, CoFeTiAs and CoFeVSb can be preserved under appropriate uniform and in-plane strains. The considerable half-metallic gaps and the robust half-metallicities under uniform and in-plane strains make CoFeTiSi, CoFeTiAs and CoFeVSb promising candidates for spintronic applications. - Highlights: • CoFeTiSi, CoFeTiAs and CoFeVSb have considerable half-metallic gaps. • Total magnetic moments obey the Slater–Pauling behavior of quaternary Heusler half-metals. • CoFeTiSi, CoFeTiAs and CoFeVSb retain half-metallicity under uniform and in-plane strains

Diffusion barrier performance of novel Ti/TaN double layers for Cu metallization

International Nuclear Information System (INIS)

Zhou, Y.M.; He, M.Z.; Xie, Z.

2014-01-01

Highlights: • Novel Ti/TaN double layers offering good stability as a barrier against Cu metallization have been made achievable by annealing in vacuum. • The Ti/TaN double layers improved the adhesion with Cu thin films and showed good diffusion barrier between Cu and SiO 2 /Si up to the annealing condition. • The failure mechanism of Ti/TaN bi-layer is similar with the Cu/TaN/Si metallization system in which Cu atoms diffuse through the grain boundary of barrier and react with silicon to form Cu 3 Si. - Abstract: Novel Ti/TaN double layers offering good stability as a barrier against Cu metallization have been made achievable by annealing in vacuum better than 1 × 10 −3 Pa. Ti/TaN double layers were formed on SiO 2 /Si substrates by DC magnetron sputtering and then the properties of Cu/Ti/TaN/SiO 2 /Si film stacks were studied. It was found that the Ti/TaN double layers provide good diffusion barrier between Cu and SiO 2 /Si up to 750 °C for 30 min. The XRD, Auger and EDS results show that the Cu–Si compounds like Cu 3 Si were formed by Cu diffusion through Ti/TaN barrier for the 800 °C annealed samples. It seems that the improved diffusion barrier property of Cu/Ti/TaN/SiO 2 /Si stack is due to the diffusion of nitrogen along the grain boundaries in Ti layer, which would decrease the defects in Ti film and block the diffusion path for Cu diffusion with increasing annealing temperature. The failure mechanism of Ti/TaN bi-layer is similar to the Cu/TaN/Si metallization system in which Cu atoms diffuse through the grain boundary of barrier and react with silicon to form Cu 3 Si

Effect of TiH2 in the preparation of MMC Ti based with TiC reinforcement

International Nuclear Information System (INIS)

Peillon, N.; Fruhauf, J.B.; Gourdet, S.; Feraille, J.; Saunier, S.; Desrayaud, C.

2015-01-01

Highlights: • Using TiH 2 precursors promotes the MMC densification and microstructure homogeneity. • Clear description of the TiH 2 interest and limitations. • Coupling of TGA, TMA and EBSD analyses to investigate the sintering process of MMC. • Process parameters: granulometry, precursor composition, temperature and rate. - Abstract: Many studies were carried out on the elaboration Metal Matrix Composites (MMCs) and a wide variety of process is reported in the bibliography. For titanium based MMC, the basis material for these elaboration techniques mainly consists of atomized titanium powder. In this work a titanium hydride powder is used to elaborate Ti/TiC MMC. Although an additional dehydrogenation operation is required a significant decrease of the sintering temperature is expected with this basis powder. In this context, the behavior of titanium hydride powder mixed with 0, 10 and 20 vol.% TiC reinforcement is studied during densification by free sintering. The effects of particle size, temperature and rate of sintering reinforcement are discussed. The comparison of the TiH 2 process with Ti HDH (Hydride Dehydride) and atomized Ti mixture is made with 10 vol.% reinforcement. The results indicate that the sintering temperature is lowered and the final densities achieved are higher if the hydride is used. Interactions between dehydrogenation and sintering mechanisms clearly appear for the higher sintering temperature rate (10 °C/min) and need specific attention to prevent porosity nucleation through hydrogen entrapment

Impacts of post-metallization annealing on the memory performance of Ti/HfO2-based resistive memory

International Nuclear Information System (INIS)

Chen, Pang-Shiu; Chen, Yu-Sheng; Lee, Heng-Yuan

2013-01-01

Impacts of post-metallization annealing (PMA) on bipolar resistance switching of Ti/HfO x stacked films were investigated. A Ti capping film as a scavenging layer with assistance of PMA is used to tune the dielectric strength of the 10-nm-thick HfO x layer. The polycrystalline microstructure of 10-nm-thick HfO x seems immune to the temperature of PMA in this work. The initial resistance and forming voltage in the Ti/HfO x devices mitigate as the increment of the annealing temperature. With enough annealing temperature (>450 °C), the device shows a good on/off ratio, high temperature operation ability and robust endurance (>10 6 cycles). Through the reaction between Ti and HfO x at 500 °C, the abundant oxygen ions are depleted from the insulator and the left charge-defects building conductive percolative paths in the dielectric layer. The operation-polarity independence of the form-free HfO x device in initial state is demonstrated. The forming-free memory with initial low resistance of 800 Ω at 0.1 V can be operated with stable bipolar resistance switching via initially positive or negative voltage sweep. The formless device with 10 nm thick HfO x also exhibits excellent nonvolatile memory performances, including enough on/off ratio, improved HRS uniformity and good high temperature retention (3 × 10 4 s at 200 °C). The results of this work suggest that the PMA temperature will affect the memory window and cycling reliability of the Ti/HfO x -based resistive memory. Optimum temperature (450 °C) will improve the memory performance of the Ti/HfO x stacked layer. (paper)

Novel Bioactive Titanate Layers Formed on Ti Metal and Its Alloys by Chemical Treatments

Directory of Open Access Journals (Sweden)

Tadashi Kokubo

2009-12-01

Full Text Available Sodium titanate formed on Ti metal by NaOH and heat treatments induces apatite formation on its surface in a body environment and bonds to living bone. These treatments have been applied to porous Ti metal in artificial hip joints, and have been used clinically in Japan since 2007. Calcium titanate formed on Ti-15Zr-4Nb-4Ta alloy by NaOH, CaCl2, heat, and water treatments induces apatite formation on its surface in a body environment. Titanium oxide formed on porous Ti metal by NaOH, HCl, and heat treatments exhibits osteoinductivity as well as osteoconductivity. This is now under clinical tests for application to a spinal fusion device.

Preparation of Transparent Bulk TiO2/PMMA Hybrids with Improved Refractive Indices via an in Situ Polymerization Process Using TiO2 Nanoparticles Bearing PMMA Chains Grown by Surface-Initiated Atom Transfer Radical Polymerization.

Science.gov (United States)

Maeda, Satoshi; Fujita, Masato; Idota, Naokazu; Matsukawa, Kimihiro; Sugahara, Yoshiyuki

2016-12-21

Transparent TiO 2 /PMMA hybrids with a thickness of 5 mm and improved refractive indices were prepared by in situ polymerization of methyl methacrylate (MMA) in the presence of TiO 2 nanoparticles bearing poly(methyl methacrylate) (PMMA) chains grown using surface-initiated atom transfer radical polymerization (SI-ATRP), and the effect of the chain length of modified PMMA on the dispersibility of modified TiO 2 nanoparticles in the bulk hybrids was investigated. The surfaces of TiO 2 nanoparticles were modified with both m-(chloromethyl)phenylmethanoyloxymethylphosphonic acid bearing a terminal ATRP initiator and isodecyl phosphate with a high affinity for common organic solvents, leading to sufficient dispersibility of the surface-modified particles in toluene. Subsequently, SI-ATRP of MMA was achieved from the modified surfaces of the TiO 2 nanoparticles without aggregation of the nanoparticles in toluene. The molecular weights of the PMMA chains cleaved from the modified TiO 2 nanoparticles increased with increases in the prolonging of the polymerization period, and these exhibited a narrow distribution, indicating chain growth controlled by SI-ATRP. The nanoparticles bearing PMMA chains were well-dispersed in MMA regardless of the polymerization period. Bulk PMMA hybrids containing modified TiO 2 nanoparticles with a thickness of 5 mm were prepared by in situ polymerization of the MMA dispersion. The transparency of the hybrids depended significantly on the chain length of the modified PMMA on the nanoparticles, because the modified PMMA of low molecular weight induced aggregation of the TiO 2 nanoparticles during the in situ polymerization process. The refractive indices of the bulk hybrids could be controlled by adjusting the TiO 2 content and could be increased up to 1.566 for 6.3 vol % TiO 2 content (1.492 for pristine PMMA).

Glass formation and crystallization in Zr based alloys

International Nuclear Information System (INIS)

Dey, G. K.

2011-01-01

Metallic glasses have come in to prominence in recent times because their nanocrystalline atomic arrangement imparts many useful and unusual properties to these metallic solids. Though these have been produced for the last four decades, the necessity of rapid solidification at cooling rates of 10 5 K/sec or higher for their production, have restricted their geometry to thin ribbons and prevented their application to many areas despite their excellent properties. It has been shown in recent investigations that, many Zr base multicomponent alloys can be obtained in glassy state by cooling at much lower rate typically 10 2 to 10 3 K/sec. This has enabled production of these alloys in the glassy stat in bulk. By now, bulk metallic glasses have been produced in Mg, Ln, Zr, Fe, Pd-Cu, Pd-Fe, Ti and Ni- based alloys. Production of these glasses in bulk has opened avenue for their application in many areas where their excellent mechanical properties an corrosion resistance can be exploited. The transformation of the amorphous phase in these alloys to one or more crystalline phases, is an interesting phase transformation and can lead to formation of crystals in a variety of morphologies and a wide range of crystal sizes, including nanometer size crystals or nanocrystals. The bulk amorphous alloys exhibit higher fracture stress, combined with higher hardness and lower young's modulus than those of any crystalline alloy. The Zr- and Ti-based bulk amorphous alloy exhibit high bending and flexural strength values which are typically 2.0 to 2.5 time higher than those for crystalline counterparts. The composites of bulk metallic glass containing crystalline phases have been found to have special properties. This has been demonstrated in the case of composites of bulk metallic glass and tungsten wires wit the glass forming the matrix. Such a composite has a very high impact strength and is especially suitable for application as an armour penetrator in various types of shells used

Resistive switching in ZrO2 based metal-oxide-metal structures

International Nuclear Information System (INIS)

Kaerkkaenen, Irina

2014-01-01

The goal of this work is a deeper understanding of the influence of the (i) metal-oxide-metal (MOM) layer stacks configuration, (ii) the oxide films microstructure, (iii) and their defect structure on the appearance of different switching modes, i.e. unipolar (UP) and bipolar (BP). The first part deals with the fabrication of ZrO 2 thin films by an industrial compatible atomic layer deposition (ALD) process, the chemical, structural and morphological characterization of the films, the growth of ZrO 2 /TiO 2 bilayers, the integration of the layers into metal-oxide-metal (MOM) devices and the electrical characterization with focus on the RS behavior. In the second part the effect of the device structure, in particular the thickness of the electrochemical active electrode (EAE) and the ZrO 2 film morphology, on the RS switching polarity of Pt/ZrO 2 /(EAE) cells is discussed. ZrO 2 films and ZrO 2 /TiO 2 bilayers were grown by ALD and were carefully structurally and electrically characterized. The ZrO 2 films grown from Zr[N(CH 3 )C 2 H 5 ] 4 (TEMA-Zr) at 240 C were polycrystalline with a mixture of cubic/tetragonal phases. ALD/H 2 O-ZrO 2 films exhibited a random oriented polycrystalline structure, whereas the ALD/O 3 -ZrO 2 films consisted of preferably oriented cubic shaped grains. Pt/ZrO 2 /Ti/Pt structures with a Ti top electrode (TE) thickness of 5 to 20 nm showed unipolar type RS behavior, while by increasing the Ti TE thickness a gradual change of switching polarity from unipolar to bipolar with a completely bipolar type RS behavior for a Ti TE thickness of 40 nm is found. The switching in Pt/ZrO 2 /TiO 2 /Ti/Pt devices was unipolar, comparable to Pt/ZrO 2 /Ti/Pt cells. In contrast, bilayers with the reverse structure, Pt/TiO 2 /ZrO 2 /Ti/Pt, showed non-switching behavior. The effect of the cells stack structure on the polarity of the RS behavior was studied in detail for 20 nm thick ZrO 2 films grown by an ozone based ALD process and integrated into Pt/ZrO 2

Reentrant spin glass ordering in an Fe-based bulk metallic glass

Energy Technology Data Exchange (ETDEWEB)

Luo, Qiang; Shen, Jun, E-mail: junshen@tongji.edu.cn [School of Materials Science and Engineering, Tongji University, Shanghai 201804 (China)

2015-02-07

We report the results of the complex susceptibility, temperature, and field dependence of DC magnetization and the nonequilibrium dynamics of a bulk metallic glass Fe{sub 40}Co{sub 8}Cr{sub 15}Mo{sub 14}C{sub 15}B{sub 6}Er{sub 2}. Solid indication of the coexistence of reentrant spin glass (SG) and ferromagnetic orderings is determined from both DC magnetization and AC susceptibility under different DC fields. Dynamics scaling of AC susceptibility indicates critical slowing down to a reentrant SG state with a static transition temperature T{sub s} = ∼17.8 K and a dynamic exponent zv = ∼7.3. The SG nature is further corroborated from chaos and memory effects, magnetic hysteresis, and aging behavior. We discuss the results in terms of the competition among random magnetic anisotropy and exchange interactions and compare them with simulation predictions.

First-principles study on the thermodynamic stability, magnetism, and half-metallicity of full-Heusler alloy Ti{sub 2}FeGe (001) surface

Energy Technology Data Exchange (ETDEWEB)

Hu, Yan; Zhang, Jian-Min, E-mail: jmzhang@snnu.edu.cn

2017-05-10

For the Ti{sub 2}FeGe Heusler alloy, the surface stability, electronic and magnetic properties of the various (001) surfaces have been studied by using first-principles calculations. The TiGe termination is the most stable one while the GeGe* termination is the most unstable one. Both the density of states (DOS) and atomic magnetic moments (AMMs) of the central layers are similar to the corresponding bulk characters due to no influence of surface effect as we expected. The TiGe termination has the highest spin polarization 96.67%, followed by the TiFe (67.17%), GeGe* (66.51%) and FeFe* terminations (62.02%). The TiTi* terminations has the lowest spin polarization 61.31%. The magnetic moments for atoms on the surfaces and subsurfaces of these terminations are different from the bulk case. - Highlights: • TiGe termination is the most stable while GeGe* termination is the most unstable. • TiGe termination has the highest spin polarization followed by TiFe, GeGe*, FeFe* and TiTi*. • Atomic magnetic moments at the (001) surfaces are greatly different from the bulk values.

On the anelasticity and strain induced structural changes in a Zr-based bulk metallic glass

International Nuclear Information System (INIS)

Caron, A.; Louzguine-Luzguin, D. V.; Kawashima, A.; Inoue, A.; Fecht, H.-J.

2011-01-01

We report on the anelastic behavior of a cyclically loaded Zr 62.5 Fe 5 Cu 22.5 Al 10 bulk metallic glass well below its yield strength. The dynamic mechanical behavior of the glass is discussed on the basis of its structural and thermodynamic properties before and after tests. We show how the kinetically frozen anelastic deformation accumulates at room temperature and causes a structural relaxation and densification of the glass and further leads to its partial crystallization.

Investigation of crystallization kinetics and deformation behavior in supercooled liquid region of CuZr-based bulk metallic glass

Energy Technology Data Exchange (ETDEWEB)

Yang, Ke; Fan, Xinhui; Li, Bing; Li, Yanhong; Wang, Xin; Xu, Xuanxuan [Xi' an Technological Univ. (China). School of Material and Chemical Engineering

2017-08-15

In this paper, a systematic study of crystallization kinetics and deformation behavior is presented for (Cu{sub 50}Zr{sub 50}){sub 94}Al{sub 6} bulk metallic glass in the supercooled liquid region. Crystallization results showed that the activation energy for (Cu{sub 50}Zr{sub 50}){sub 94}Al{sub 6} was calculated using the Arrhenius equation in isothermal mode and the Kissinger-Akahira-Sunose method in non-isothermal mode. The activation energy was quite high compared with other bulk metallic glasses. Based on isothermal transformation kinetics described by the Johson-Mehl-Avrami model, the average Avrami exponent of about 3.05 implies a mainly diffusion controlled three-dimensional growth with an increasing nucleation rate during the crystallization. For warm deformation, the results showed that deformation behavior, composed of homogeneous and inhomogeneous deformation, is strongly dependent on strain rate and temperature. The homogeneous deformation transformed from non-Newtonian flow to Newtonian flow with a decrease in strain rate and an increase in temperature. It was found that the crystallization during high temperature deformation is induced by heating. The appropriate working temperature/strain rate combination for the alloy forming, without in-situ crystallization, was deduced by constructing an empirical deformation map. The optimum process condition for (Cu{sub 50}Zr{sub 50}){sub 94}Al{sub 6} can be expressed as T∝733 K and ∝ ε 10{sup -3} s{sup -1}.

Effect of alloying on elastic properties of ZrN based transition metal nitride alloys

KAUST Repository

Kanoun, Mohammed; Goumri-Said, Souraya

2014-01-01

We report the effect of composition and metal sublattice substitutional element on the structural, elastic and electronic properties of ternary transition metal nitrides Zr1-xMxN with M=Al, Ti, Hf, V, Nb, W and Mo. The analysis of the elastic constants, bulk modulus, shear modulus, Young's modulus, and Poisson's ratio provides insights regarding the mechanical behavior of Zr1-xMxN. We predict that ternary alloys are more ductile compared to their parent binary compounds. The revealed trend in the mechanical behavior might help for experimentalists on the ability of tuning the mechanical properties during the alloying process by varying the concentration of the transition metal. © 2014 Elsevier B.V.

Effect of alloying on elastic properties of ZrN based transition metal nitride alloys

KAUST Repository

Kanoun, Mohammed

2014-09-01

We report the effect of composition and metal sublattice substitutional element on the structural, elastic and electronic properties of ternary transition metal nitrides Zr1-xMxN with M=Al, Ti, Hf, V, Nb, W and Mo. The analysis of the elastic constants, bulk modulus, shear modulus, Young\\'s modulus, and Poisson\\'s ratio provides insights regarding the mechanical behavior of Zr1-xMxN. We predict that ternary alloys are more ductile compared to their parent binary compounds. The revealed trend in the mechanical behavior might help for experimentalists on the ability of tuning the mechanical properties during the alloying process by varying the concentration of the transition metal. © 2014 Elsevier B.V.

Nanopatterned Bulk Metallic Glass Biosensors.

Science.gov (United States)

Kinser, Emily R; Padmanabhan, Jagannath; Yu, Roy; Corona, Sydney L; Li, Jinyang; Vaddiraju, Sagar; Legassey, Allen; Loye, Ayomiposi; Balestrini, Jenna; Solly, Dawson A; Schroers, Jan; Taylor, André D; Papadimitrakopoulos, Fotios; Herzog, Raimund I; Kyriakides, Themis R

2017-12-22

Nanopatterning as a surface area enhancement method has the potential to increase signal and sensitivity of biosensors. Platinum-based bulk metallic glass (Pt-BMG) is a biocompatible material with electrical properties conducive for biosensor electrode applications, which can be processed in air at comparably low temperatures to produce nonrandom topography at the nanoscale. Work presented here employs nanopatterned Pt-BMG electrodes functionalized with glucose oxidase enzyme to explore the impact of nonrandom and highly reproducible nanoscale surface area enhancement on glucose biosensor performance. Electrochemical measurements including cyclic voltammetry (CV) and amperometric voltammetry (AV) were completed to compare the performance of 200 nm Pt-BMG electrodes vs Flat Pt-BMG control electrodes. Glucose dosing response was studied in a range of 2 mM to 10 mM. Effective current density dynamic range for the 200 nm Pt-BMG was 10-12 times greater than that of the Flat BMG control. Nanopatterned electrode sensitivity was measured to be 3.28 μA/cm 2 /mM, which was also an order of magnitude greater than the flat electrode. These results suggest that nonrandom nanotopography is a scalable and customizable engineering tool which can be integrated with Pt-BMGs to produce biocompatible biosensors with enhanced signal and sensitivity.

The influence of the bulk reduction state on the surface structure and morphology of rutile TiO{sub 2}(110) single crystals

Energy Technology Data Exchange (ETDEWEB)

Li, M.; Hebenstreit, W.; Diebold, U.; Tyryshkin, A.M.; Bowman, M.K.; Dunham, G.G.; Henderson, M.A.

2000-05-25

The authors have investigated the relationship between different types and amounts of bulk defects and the surface morphology of TiO{sub 2}(110) single crystals prepared by annealing in ultrahigh vacuum and in oxygen. Rutile TiO{sub 2}(110) specimens were cut from the same crystal and were heated in a furnace to different temperatures which resulted in different states of reduction (colors of the crystals). After characterization of the bulk defects with electron paramagnetic resonance (EPR), the specimens were studied with scanning tunneling microscopy (STM), low-energy He{sup +} ion scattering (LEIS), and work function measurements. EPR reveals that darker rutile crystals exhibit higher concentrations of extended Ti{sup 3+} related bulk defects such as crystallographic shear planes (CSP), with a decrease in substitutional and interstitial defects as compared to lighter crystals. Surface structures with (1 x 2) features are preferably formed upon UHV annealing on these darker crystals. LEIS measurements show that all of the crystals' (110) surfaces are reoxidized upon annealing in {sup 18}O{sub 2} (573 K, 1 x 10{sup {minus}6} mbar, 10 min) and that the {sup 18}O surface content is proportional to the bulk reduction state. UV-visible adsorption spectra and resistivity measurements also scale with the reduction states of crystals. Only the (1 x 1) structure is observed on the surface of slightly reduced crystals. Annealing in oxygen induces additional metastable structures, i.e., TiO{sub 2} clusters on blue crystals and rosette networks on dark blue crystals.

Metal/graphite-composite materials for fusion device

International Nuclear Information System (INIS)

Kneringer, G.; Kny, E.; Fischer, W.; Reheis, N.; Staffler, R.; Samm, U.; Winter, J.

1995-01-01

The utilization of graphite as a structural material depends to an important extent on the availability of a joining technique suitable for the production of reliable large scale metal/graphite-composites. This study has been conducted to evaluate vacuum brazes and procedures for graphite and metals which can be used in fusion applications up to about 1500 degree C. The braze materials included: AgCuTi, CuTi, NiTi, Ti, ZrTi, Zr. Brazing temperatures ranged from 850 degree C to 1900 degree C. The influence of graphite quality on wettability and pore-penetration of the braze has been investigated. Screening tests of metal/graphite-assemblies with joint areas exceeding some square-centimeters have shown that they can only successfully be produced when graphite is brazed to a metal, such as tungsten or molybdenum with a coefficient of thermal expansion closely matching that of graphite. Therefore all experimental work on evaluation of joints has been concentrated on molybdenum/graphite brazings. The tensile strength of molybdenum/graphite-composites compares favorably with the tensile strength of bulk graphite from room temperature close to the melting temperature of the braze. In electron beam testing the threshold damage line for molybdenum/graphite-composites has been evaluated. Results show that even composites with the low melting AgCuTi-braze are expected to withstand 10 MW/m 2 power density for at least 10 3 cycles. Limiter testing in TEXTOR shows that molybdenum/graphite-segments with 3 mm graphite brazed on molybdenum-substrate withstand severe repeated TEXTOR plasma discharge conditions without serious damage. Results prove that actively cooled components on the basis of a molybdenum/graphite-composite can sustain a higher heat flux than bulk graphite alone. (author)

Characterization of Ti and Co based biomaterials processed via laser based additive manufacturing

Science.gov (United States)

Sahasrabudhe, Himanshu

Titanium and Cobalt based metallic materials are currently the most ideal materials for load-bearing metallic bio medical applications. However, the long term tribological degradation of these materials still remains a problem that needs a solution. To improve the tribological performance of these two metallic systems, three different research approaches were adapted, stemming out four different research projects. First, the simplicity of laser gas nitriding was utilized with a modern LENS(TM) technology to form an in situ nitride rich later in titanium substrate material. This nitride rich composite coating improved the hardness by as much as fifteen times and reduced the wear rate by more than a magnitude. The leaching of metallic ions during wear was also reduced by four times. In the second research project, a mixture of titanium and silicon were processed on a titanium substrate in a nitrogen rich environment. The results of this reactive, in situ additive manufacturing process were Ti-Si-Nitride coatings that were harder than the titanium substrate by more than twenty times. These coatings also reduced the wear rate by more than two magnitudes. In the third research approach, composites of CoCrMo alloy and Calcium phosphate (CaP) bio ceramic were processed using LENS(TM) based additive manufacturing. These composites were effective in reducing the wear in the CoCrMo alloy by more than three times as well as reduce the leaching of cobalt and chromium ions during wear. The novel composite materials were found to develop a tribofilm during wear. In the final project, a combination of hard nitride coating and addition of CaP bioceramic was investigated by processing a mixture of Ti6Al4V alloy and CaP in a nitrogen rich environment using the LENS(TM) technology. The resultant Ti64-CaP-Nitride coatings significantly reduced the wear damage on the substrate. There was also a drastic reduction in the metal ions leached during wear. The results indicate that the three

M₅Si₃(M=Ti, Nb, Mo) Based Transition-Metal Silicides for High Temperature Applications

Energy Technology Data Exchange (ETDEWEB)

Tang, Zhihong [Iowa State Univ., Ames, IA (United States)

2007-01-01

Transition metal silicides are being considered for future engine turbine components at temperatures up to 1600 C. Although significant improvement in high temperature strength, room temperature fracture toughness has been realized in the past decade, further improvement in oxidation resistance is needed. Oxidation mechanism of Ti₅Si₃-based alloys was investigated. Oxidation behavior of Ti₅Si₃-based alloy strongly depends on the atmosphere. Presence of Nitrogen alters the oxidation behavior of Ti₅Si₃ by nucleation and growth of nitride subscale. Ti₅Si_3.2and Ti₅Si₃C_0.5 alloys exhibited an excellent oxidation resistance in nitrogen bearing atmosphere due to limited dissolution of nitrogen and increased Si/Ti activity ratio. MoSi₂ coating developed by pack cementation to protect Mo-based Mo-Si-B composites was found to be effective up to 1500 C. Shifting coating composition to T1+T2+Mo₃Si region showed the possibility to extend the coating lifetime above 1500 C by more than ten times via formation of slow growing Mo₃Si or T2 interlayer without sacrificing the oxidation resistance of the coating. The phase equilibria in the Nb-rich portion of Nb-B system has been evaluated experimentally using metallographic analysis and differential thermal analyzer (DTA). It was shown that Nb_ss (solid solution) and NbB are the only two primary phases in the 0-40 at.% B composition range, and the eutectic reaction L {leftrightarrow} Nb_SS + NbB was determined to occur at 2104 ± 5 C by DTA.

TiN nanoparticles on CNT-graphene hybrid support as noble-metal-free counter electrode for quantum-dot-sensitized solar cells.

Science.gov (United States)

Youn, Duck Hyun; Seol, Minsu; Kim, Jae Young; Jang, Ji-Wook; Choi, Youngwoo; Yong, Kijung; Lee, Jae Sung

2013-02-01

The development of an efficient noble-metal-free counter electrode is crucial for possible applications of quantum-dot-sensitized solar cells (QDSSCs). Herein, we present TiN nanoparticles on a carbon nanotube (CNT)-graphene hybrid support as a noble-metal-free counter electrode for QDSSCs employing a polysulfide electrolyte. The resulting TiN/CNT-graphene possesses an extremely high surface roughness, a good metal-support interaction, and less aggregation relative to unsupported TiN; it also has superior solar power conversion efficiency (4.13 %) when applying a metal mask, which is much higher than that of the state-of-the-art Au electrode (3.35 %). Based on electrochemical impedance spectroscopy measurements, the enhancement is ascribed to a synergistic effect between TiN nanoparticles and the CNT-graphene hybrid, the roles of which are to provide active sites for the reduction of polysulfide ions and electron pathways to TiN nanoparticles, respectively. The combination of graphene and CNTs leads to a favorable morphology that prevents stacking of graphene or bundling of CNTs, which maximizes the contact of the support with TiN nanoparticles and improves electron-transfer capability relative to either carbon material alone. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Enhanced photovoltaic performance of inverted hybrid bulk-heterojunction solar cells using TiO2/reduced graphene oxide films as electron transport layers

Science.gov (United States)

Morais, Andreia; Alves, João Paulo C.; Lima, Francisco Anderson S.; Lira-Cantu, Monica; Nogueira, Ana Flavia

2015-01-01

In this study, we investigated inverted hybrid bulk-heterojunction solar cells with the following configuration: fluorine-doped tin oxide (FTO) |TiO2/RGO|P3HT:PC61BM|V2O5 or PEDOT:PSS|Ag. The TiO2/GO dispersions were prepared by sol-gel method, employing titanium isopropoxide and graphene oxide (GO) as starting materials. The GO concentration was varied from 0.1 to 4.0 wt%. The corresponding dispersions were spin-coated onto FTO substrates and a thermal treatment was performed to remove organic materials and to reduce GO to reduced graphene oxide (RGO). The TiO2/RGO films were characterized by x-ray diffraction, Raman spectroscopy, and microscopy techniques. Atomic force microscopy (AFM) images showed that the addition of RGO significantly changes the morphology of the TiO2 films, with loss of uniformity and increase in surface roughness. Independent of the use of V2O5 or PEDOT: PSS films as the hole transport layer, the incorporation of 2.0 wt% of RGO into TiO2 films was the optimal concentration for the best organic photovoltaic performance. The solar cells based on TiO2/RGO (2.0 wt%) electrode exhibited a ˜22.3% and ˜28.9% short circuit current density (Jsc) and a power conversion efficiency enhancement, respectively, if compared with the devices based on pure TiO2 films. Kelvin probe force microscopy images suggest that the incorporation of RGO into TiO2 films can promote the appearance of regions with different charge dissipation capacities.

Trends in (LaMnO3)n/(SrTiO3)m superlattices with varying layer thicknesses

KAUST Repository

Jilili, J.

2015-09-01

We investigate the thickness dependence of the structural, electronic, and magnetic properties of (LaMnO3)n/(SrTiO3)m (n, m = 2, 4, 6, 8) superlattices using density functional theory. The electronic structure turns out to be highly sensitive to the onsite Coulomb interaction. In contrast to bulk SrTiO3, strongly distorted O octahedra are observed in the SrTiO3 layers with a systematic off centering of the Ti atoms. The systems favour ferromagnetic spin ordering rather than the antiferromagnetic spin ordering of bulk LaMnO3 and all show half-metallicity, while a systematic reduction of the minority spin band gaps as a function of the LaMnO3 and SrTiO3 layer thicknesses originates from modifications of the Ti dxy states.

Clarification on shear transformation zone size and its correlation with plasticity for Zr-based bulk metallic glass in different structural states

Energy Technology Data Exchange (ETDEWEB)

Chen, Z.Q.; Huang, L. [State Key Laboratory for Mechanical Behavior of Material, Xi' an Jiaotong University, Xi' an 710049 (China); Huang, P., E-mail: huangping@mail.xjtu.edu.cn [State Key Laboratory for Mechanical Behavior of Material, Xi' an Jiaotong University, Xi' an 710049 (China); Xu, K.W. [State Key Laboratory for Mechanical Behavior of Material, Xi' an Jiaotong University, Xi' an 710049 (China); Wang, F., E-mail: wangfei@mail.xjtu.edu.cn [State Key Laboratory for Strength and Vibration of Mechanical Structures Xi' an Jiaotong University, Xi' an 710049 (China); Lu, T.J. [State Key Laboratory for Strength and Vibration of Mechanical Structures Xi' an Jiaotong University, Xi' an 710049 (China); MOE Key Laboratory for Multifunctional Materials and Structures Xi' an Jiaotong University, Xi' an 710049 (China)

2016-11-20

To clarify the real size of shear transformation zone (STZ) and its correlation with the plasticity of metallic glass, STZ sizes of a Zr-based bulk metallic glass (BMG) in three different structural states (as-cast, annealed and confining annealed) were examined using both rate-change and statistical methods upon nanoindentation. STZ sizes (less than 24 atoms) obtained by the statistical method approached the real STZ size of very few atoms, and showed no correlation with BMG plasticity. In sharp contrast, STZ sizes (hundreds of atoms) obtained by the rate-change method not only were much larger than the real STZ size but also exhibited a positive correlation with BMG plasticity. These discrepancies were discussed in terms of the structural evolution of BMGs upon nanoindentation.

Fabrication and characterization of metal–semiconductor–metal ultraviolet photodetector based on rutile TiO{sub 2} nanorod

Energy Technology Data Exchange (ETDEWEB)

Selman, Abbas M., E-mail: alabbasiabbas@yahoo.co.uk [Nano-Optoelectronics Research and Technology Laboratory (N.O.R.), School of Physics, Universiti Sains Malaysia, Penang 11800 (Malaysia); Department of Pharmacology and Toxicology, College of Pharmacy, University of Kufa, Najaf (Iraq); Hassan, Z. [Nano-Optoelectronics Research and Technology Laboratory (N.O.R.), School of Physics, Universiti Sains Malaysia, Penang 11800 (Malaysia)

2016-01-15

The fabrication and characterization of a metal–semiconductor–metal ultraviolet photodetector are studied. The photodetector is based on TiO{sub 2} nanorods (NRs) grown on p-type (1 1 1)-oriented silicon substrate seeded with a TiO{sub 2} layer is synthesized by radio frequency reactive magnetron sputtering. A chemical bath deposition is used to grow TiO{sub 2} NRs on Si substrate. The structural and optical properties of the obtained sample are analyzed by using X-ray diffraction and field emission-scanning electron microscopy. Results show a tetragonal rutile structure of the synthesized TiO{sub 2} NRs. Optical properties are further examined using photoluminescence spectroscopy. A sharp and high-intensity UV peak at 367 nm is observed in comparison with visible defect peaks centered at 432 and 718 nm. Upon exposure to 365 nm light (2.3 mW/cm) at 5 V bias, the device displays 76.06 × 10{sup 2} sensitivity, internal photodetector gain of 77.06, photocurrent of the device is 2.62 × 10{sup −5} A and photoresponse peak of 69.7 mA/W. The response and recovery times are calculated as 18.5 and 19.1 ms upon illumination to a pulse UV light (365 nm, 2.3 mW/cm{sup 2}) at 5 V applied bias. These results demonstrate that the fabricated high-quality photodiode is a promising candidate as a low-cost UV photodetector for commercially-integrated photoelectronic applications.

Formation of quasicrystals in Zr46.8Ti8.2Cu7.5Ni10Be27.5 bulk glass

DEFF Research Database (Denmark)

Wanderka, N.; Macht, M. P.; Siedel, M.

2000-01-01

The formation of the quasicrystalline phase is observed as a first step of crystallization during isothermal annealing of the Zr46.7Ti8.3Cu7.5Ni10Be27.5 bulk glass. The structure of the quasicrystals and the sequence of phase formation have been investigated by x-ray powder diffraction and transm......The formation of the quasicrystalline phase is observed as a first step of crystallization during isothermal annealing of the Zr46.7Ti8.3Cu7.5Ni10Be27.5 bulk glass. The structure of the quasicrystals and the sequence of phase formation have been investigated by x-ray powder diffraction...... min) at high temperatures above 683 K. (C) 2000 American Institute of Physics....

Indentation size effects in the nano- and micro-hardness of a Fe-based bulk metallic glass

Energy Technology Data Exchange (ETDEWEB)

Xu, F., E-mail: xufu@xtu.edu.cn; Ding, Y.H.; Deng, X.H.; Zhang, P.; Long, Z.L.

2014-10-01

Hardness of a Fe-based bulk metallic glass (BMG) was evaluated by both atomic force microscopy (AFM) nanoindentation (nano-hardness) and instrumented indentation with a traditional indenter setup (micro-hardness) under different maximum loads at room temperature. The nano-hardness and the micro-hardness were found to be comparable. For both of the indentation methods, indentation size effect (ISE) is detected as increase in hardness with decrease in indentation peak load. It is proposed that strain rate dependent softening, loading history and the lag between free volume creation and mechanical softening should be responsible for the ISE in this BMG. Furthermore, ISE is found to be more significant in AFM nanoindentation than in instrumented indentation. This can be explained by taking into account the effect of exerted peak load and the face angle of the indenter in a qualitative manner.

Ni-free Zr-Cu-Al-Nb-Pd bulk metallic glasses with different Zr/Cu ratios for biomedical applications.

Science.gov (United States)

Huang, Lu; Yokoyama, Yoshihiko; Wu, Wei; Liaw, Peter K; Pang, Shujie; Inoue, Akihisa; Zhang, Tao; He, Wei

2012-08-01

Zr-based bulk metallic glasses (BMGs) possess attractive properties for prospective biomedical applications. The present study designs Ni-free Zr-Cu-Al-Nb-Pd BMGs and investigates their in vitro biocompatibility by studying mechanical properties, bio-corrosion resistance, and cellular responses. The Ti-6Al-4V alloy is used as a reference material. It is found that the Zr-based BMGs exhibit good mechanical properties, including high strengths above 1600 MPa, high hardness over 4700 MPa, and low elastic moduli of 85-90 GPa. The Zr-based BMGs are corrosion resistant in a simulated body environment, as revealed by wide passive regions, low passive current densities, and high pitting overpotentials. The formation of ZrO(2)-rich surface passive films of the Zr-based BMGs contributes to their high corrosion resistance, whereas their pitting corrosion in the phosphate buffered saline solution can be attributed to the sensitivity of the ZrO(2) films to the chloride ion. The general biosafety of the Zr-based BMGs is revealed by normal cell adhesions and cell morphologies. Moreover, the Zr/Cu content ratio in the alloy composition affects the biocompatibility of the Zr-based BMGs, by increasing their corrosion resistance and surface wettability with the increase of the Zr/Cu ratio. Effects of Zr/Cu ratios can be used to guide the future design of biocompatible Zr-based BMGs. Copyright © 2012 Wiley Periodicals, Inc.

Advanced optical modeling of TiN metal hard mask for scatterometric critical dimension metrology

Science.gov (United States)

Ebersbach, Peter; Urbanowicz, Adam M.; Likhachev, Dmitriy; Hartig, Carsten

2017-03-01

The majority of scatterometric production control models assume constant optical properties of the materials and only dimensional parameters are allowed to vary. However, this assumption, especially in case of thin-metal films, negatively impacts model precision and accuracy. In this work we focus on optical modeling of the TiN metal hardmask for scatterometry applications. Since the dielectric function of TiN exhibits thickness dependence, we had to take this fact into account. Moreover, presence of the highly absorbing films influences extracted thicknesses of dielectric layers underneath the metal films. The later phenomenon is often not reflected by goodness of fit. We show that accurate optical modeling of metal is essential to achieve desired scatterometric model quality for automatic process control in microelectronic production. Presented modeling methodology can be applied to other TiN applications such as diffusion barriers and metal gates as well as for other metals used in microelectronic manufacturing for all technology nodes.

Preparation, thermal stability, and magnetic properties of Fe-Zr-Mo-W-B bulk metallic glass

International Nuclear Information System (INIS)

Liu, D.Y.; Sun, W.S.; Wang, A.M.; Zhang, H.F.; Hu, Z.Q.

2004-01-01

A bulk metallic glass (BMG) cylinder of Fe 60 Co 8 Zr 10 Mo 5 W 2 B 15 with a diameter of 1.5 mm was prepared by copper mould casting of industrial raw materials. The amorphous state and the crystallization behavior were investigated by X-ray diffraction (XRD). The thermal stability parameters, such as glass transition temperature (T g ), crystallization temperature (T x ), supercooled liquid region (ΔT x ) between T g and T x , and reduced glass transition temperature T rg (T g /T m ) were measured by differential scanning calorimetry (DSC) to be 891, 950, 59 K, and 0.62, respectively. The crystallization process took place through a single stage, and involved crystallization of the phases α-Fe, ZrFe 2 , Fe 3 B, MoB 2 , Mo 2 FeB 2 , and an unknown phase, as determined by X-ray analysis of the sample annealed for 1.5 ks at 1023 K, 50 K above the DSC peak temperature of crystallization. Moessbauer spectroscopy was studied for this alloy. The spectra exhibit a broadened and asymmetric doublet-like structure that indicated paramagnetic behavior and a fully amorphous structure. α-Fe was found in the amorphous matrix for a cylinder with a diameter of 2.5 mm. The success of synthesis of the Fe-based bulk metallic glass from industrial materials is important for the future progress in research and practical application of new bulk metallic glasses

Laser engineered net shaping of quasi-continuous network microstructural TiB reinforced titanium matrix bulk composites: Microstructure and wear performance

Science.gov (United States)

Hu, Yingbin; Ning, Fuda; Wang, Hui; Cong, Weilong; Zhao, Bo

2018-02-01

Titanium (Ti) and its alloys have been successfully applied to the aeronautical and biomedical industries. However, their poor tribological properties restrict their fields of applications under severe wear conditions. Facing to these challenges, this study investigated TiB reinforced Ti matrix composites (TiB-TMCs), fabricated by in-situ laser engineered net shaping (LENS) process, through analyzing parts quality, microstructure formation mechanisms, microstructure characterizations, and workpiece wear performance. At high B content areas (original B particle locations), reaction between Ti and B particles took place, generating flower-like microstructure. At low B content areas, eutectic TiB nanofibers contacted with each other with the formation of crosslinking microstructure. The crosslinking microstructural TiB aggregated and connected at the boundaries of Ti grains, forming a three-dimensional quasi-continuous network microstructure. The results show that compared with commercially pure Ti bulk parts, the TiB-TMCs exhibited superior wear performance (i.e. indentation wear resistance and friction wear resistance) due to the present of TiB reinforcement and the innovative microstructures formed inside TiB-TMCs. In addition, the qualities of the fabricated parts were improved with fewer interior defects by optimizing laser power, thus rendering better wear performance.

Effects of halogens on interactions between a reduced TiO{sub 2} (110) surface and noble metal atoms: A DFT study

Energy Technology Data Exchange (ETDEWEB)

Tada, Kohei, E-mail: k-tada@aist.go.jp [Department of Chemistry, Graduate School of Science, Osaka University, 1-1, Machikaneyama, Toyonaka, Osaka, 560-0043 (Japan); Research Institute of Electrochemical Energy, National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31, Midorigaoka, Ikeda, Osaka, 563-8577 (Japan); Koga, Hiroaki [Element Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, 1-30 Goryo Ohara, Nishikyo, Kyoto, 615-8245 (Japan); Hayashi, Akihide; Kondo, Yudai; Kawakami, Takashi; Yamanaka, Shusuke [Department of Chemistry, Graduate School of Science, Osaka University, 1-1, Machikaneyama, Toyonaka, Osaka, 560-0043 (Japan); Okumura, Mitsutaka [Department of Chemistry, Graduate School of Science, Osaka University, 1-1, Machikaneyama, Toyonaka, Osaka, 560-0043 (Japan); Element Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, 1-30 Goryo Ohara, Nishikyo, Kyoto, 615-8245 (Japan)

2017-07-31

Highlights: • We investigated the halogen effect on the interactions of noble metals with TiO{sub 2}. • Halogen atoms inhibit electron transfer from TiO{sub 2} to noble metals. • Iodine stabilizes the adsorption of noble metals especially for Ag and Cu. • Electron transfer from the TiO{sub 2} is effective in anchoring Au and Pt atoms. • Covalent interaction with the support is effective in anchoring Ag and Cu atoms. - Abstract: Using DFT calculation, we investigate the effects of halogens on the interactions between rutile TiO{sub 2} (110) and noble metal atoms (Au, Ag, Cu, Pt, and Pd). Fluorine, chlorine, and bromine atoms occupy the oxygen defect sites of TiO{sub 2}, decreasing the stability of noble metal atoms on the surface. This decrease occurs because the halogens inhibit electron transfer from TiO{sub 2} to the noble metal atoms; the electron transfer from reduced TiO{sub 2} to the noble metal atom stabilizes the noble metal atom adsorption. In contrast, iodine strengthens the interactions between TiO{sub 2} and some noble metal atoms, namely Ag and Cu. This stabilization occurs because of the covalent interaction between iodine-doped TiO{sub 2} and the noble metal atom. Therefore, the stabilization is explained well by chemical hardness. This result suggests that iodine-doping of a TiO{sub 2} surface would be an effective method for the preparation of highly stabilized noble metal clusters.

Net Shaping of Multifunctional Bulk Metallic Glass Containers and Structures, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — Demand for novel manufacturing methods for space systems brings unique properties of bulk metallic glasses (BMG) into the spotlight. In addition to superior...

Thermoplastic forming of bulk metallic glasses for precision robotics components, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — Demand for novel manufacturing methods for space systems brings unique properties of bulk metallic glasses (BMG) into the spotlight. In addition to superior...

La interstitial defect-induced insulator-metal transition in the oxide heterostructures LaAl O3 /SrTi O3

Science.gov (United States)

Zhou, Jun; Yang, Ming; Feng, Yuan Ping; Rusydi, Andrivo

2017-11-01

Perovskite oxide interfaces have attracted tremendous research interest for their fundamental physics and promising all-oxide electronic applications. Here, based on first-principles calculations, we propose a surface La interstitial promoted interface insulator-metal transition in LaAl O3 /SrTi O3 (110). Compared with surface oxygen vacancies, which play a determining role on the insulator-metal transition of LaAl O3 /SrTi O3 (001) interfaces, we find that surface La interstitials can be more experimentally realistic and accessible for manipulation and more stable in an ambient atmospheric environment. Interestingly, these surface La interstitials also induce significant spin-splitting states with a Ti dy z/dx z character at a conducting LaAl O3 /SrTi O3 (110) interface. On the other hand, for insulating LaAl O3 /SrTi O3 (110) (<4 unit cells LaAl O3 thickness), a distortion between La (Al) and O atoms is found at the LaAl O3 side, partially compensating the polarization divergence. Our results reveal the origin of the metal-insulator transition in LaAl O3 /SrTi O3 (110) heterostructures, and also shed light on the manipulation of the superior properties of LaAl O3 /SrTi O3 (110) for different possibilities in electronic and magnetic applications.

Anionic or Cationic S-Doping in Bulk Anatase TiO 2 : Insights on Optical Absorption from First Principles Calculations

KAUST Repository

Harb, Moussab

2013-05-02

Using first principles calculations, we investigate the structural, electronic, optical, and energetic properties of S-doped anatase TiO2 bulk systems. To ensure accurate band gap predictions, we use the HSE06 exchange correlation functional, and the absorption spectra are obtained with density functional perturbation (DFPT) theory by employing HSE06. Various oxidation states (anionic and cationic) of sulfur are considered depending on the location in bulk TiO2: in interstitial position or in substitution for either oxygen or titanium atoms. Among the explored structures, two anionic and one cationic configurations induce an improved optical absorption response in the visible region as observed experimentally. Moreover, we undertake a thermodynamic analysis as a function of the chemical potential of oxygen and considering three relevant sulfur chemical doping agents (S 2, H2S, and thiourea). It highlights that cationic configurations (S4+ and S6+) are strongly stabilized in a wide range of oxygen chemical potential (including standard conditions), whereas anionic species are stabilized only at very low chemical potential of oxygen. The metastable cationic Ti(1-2x)O2S2x system involving the presence of S4+ species in substitution for Ti 4+, with the formation of SO2 units, should offer the best compromise between the thermodynamic conditions and the expected optical properties. © 2013 American Chemical Society.

Morphological and structural characterizations of dendrimer-mediated metallic Ti and Al thin film nanocomposites

Energy Technology Data Exchange (ETDEWEB)

Curry, M. [Center for Materials for Information Technology, University of Alabama, Tuscaloosa, AL 35487-0209 (United States); Department of Chemistry, University of Alabama, Tuscaloosa, AL 35487-0209 (United States); Li, X. [Center for Materials for Information Technology, University of Alabama, Tuscaloosa, AL 35487-0209 (United States); Department of Metallurgical and Materials Science and Engineering, University of Alabama, Tuscaloosa, AL 35487-0209 (United States); Zhang, J. [Center for Materials for Information Technology, University of Alabama, Tuscaloosa, AL 35487-0209 (United States); Department of Chemistry, University of Alabama, Tuscaloosa, AL 35487-0209 (United States); Weaver, M.L. [Center for Materials for Information Technology, University of Alabama, Tuscaloosa, AL 35487-0209 (United States); Department of Metallurgical and Materials Science and Engineering, University of Alabama, Tuscaloosa, AL 35487-0209 (United States); Street, S.C. [Center for Materials for Information Technology, University of Alabama, Tuscaloosa, AL 35487-0209 (United States) and Department of Chemistry, University of Alabama, Tuscaloosa, AL 35487-0209 (United States)]. E-mail: sstreet@bama.ua.edu

2007-02-26

Evidence is presented here for significant influence on the surface topography of Ti and Al films in the presence of poly(amidoamine) dendrimer monolayers [generations G(4-8)] on SiO {sub x}. X-ray photoelectron spectroscopy analysis clearly indicates formation of nitrides and carbides for Ti metal grown on dendrimer monolayers. In addition, obvious trends in measured correlation lengths and crystalline growth modes of Ti films indicate grain sizes tracking the intrinsic roughness of dendrimer monolayers. No formation of metal nitride is observed for Al depositions. Atomic force microscopy analyses show significant changes in rms vertical roughness and aggregation of as-deposited Ti or Al in presence of dendrimer monolayers.

Thermoelectric Properties for a Suspended Microribbon of Quasi-One-Dimensional TiS3

Science.gov (United States)

Sakuma, Tasuku; Nishino, Shunsuke; Miyata, Masanobu; Koyano, Mikio

2018-06-01

Transition-metal trichalcogenides MX3 (M = Ti, Zr, Nb, Ta; X = S, Se) are well-known inorganic quasi-one-dimensional conductors. Among them, we have investigated the thermoelectric properties of titanium trisulfide TiS3 microribbon. The electrical resistivity ρ, thermal conductivity κ, and thermoelectric power S were measured using 3 ω method. The weight mean values were found to be ρ = 5 mω m and κ = 10 W K-1 m-1 along the one-dimensional direction ( b-axis) of the TiS3 microribbon. Combined with the thermoelectric power S = -530 μV K-1, the figure of merit was calculated as ZT = 0.0023. This efficiency is the same as that of randomly oriented bulk TiS3. We also estimated the anisotropy of σ and κ using the present results and those for randomly oriented bulk material. The obtained weak anisotropy for TiS3 is attributable to strong coupling between triangular columns consisting of TiS3 units. These experimental results are consistent with theoretical results obtained using density functional theory (DFT) calculations.

Thermoelectric Properties for a Suspended Microribbon of Quasi-One-Dimensional TiS3

Science.gov (United States)

Sakuma, Tasuku; Nishino, Shunsuke; Miyata, Masanobu; Koyano, Mikio

2018-02-01

Transition-metal trichalcogenides MX3 (M = Ti, Zr, Nb, Ta; X = S, Se) are well-known inorganic quasi-one-dimensional conductors. Among them, we have investigated the thermoelectric properties of titanium trisulfide TiS3 microribbon. The electrical resistivity ρ, thermal conductivity κ, and thermoelectric power S were measured using 3ω method. The weight mean values were found to be ρ = 5 mω m and κ = 10 W K-1 m-1 along the one-dimensional direction (b-axis) of the TiS3 microribbon. Combined with the thermoelectric power S = -530 μV K-1, the figure of merit was calculated as ZT = 0.0023. This efficiency is the same as that of randomly oriented bulk TiS3. We also estimated the anisotropy of σ and κ using the present results and those for randomly oriented bulk material. The obtained weak anisotropy for TiS3 is attributable to strong coupling between triangular columns consisting of TiS3 units. These experimental results are consistent with theoretical results obtained using density functional theory (DFT) calculations.

Biomineralisation with Saos-2 bone cells on TiSiN sputtered Ti alloys.

Science.gov (United States)

V V, Anusha Thampi; Bendavid, Avi; Martin, P J; Vaithilingam, Vijay; Bean, Penelope A; Evans, Margaret D M; Subramanian, B

2017-07-01

Surface modifications of metallic implants are important in order to protect the underlying metals from the harsh corrosive environment inside the human body and to minimize the losses caused by wear. Recently, researches are carried out in developing bioactive surfaces on metallic implants, which supports the growth and proliferation of cells on to these surfaces. Titanium silicon nitride (TiSiN) hard nanocomposites thin films were fabricated on Ti alloys (Ti-6Al-4V) by pulsed direct current (DC) reactive magnetron sputtering. The films were characterized for its microstructural and electrochemical behavior. The higher charge transfer resistance (Rct) and positive shift in Ecorr value of TiSiN/Ti alloys than the bare Ti-alloys indicates a better corrosion resistance offered by the TiSiN thin films to the underlying substrates. The biological response to TiSiN/Ti alloys and control bare Ti-alloys was measured in vitro using cell-based assays with two main outcomes. Firstly, neither the Ti alloy nor the TiSiN thin film was cytotoxic to cells. Secondly, the TiSiN thin film promoted differentiation of human bone cells above the bare control Ti alloy as measured by alkaline phosphatase and calcium production. TiSiN thin films provide better corrosion resistance and protect the underlying metal from the corrosive environment. The thin film surface is both biocompatible and bioactive as indicated from the cytotoxicity and biomineralization studies. Copyright © 2017 Elsevier B.V. All rights reserved.

Photoemission study of the development of the Ti/GaAs(110) interface

International Nuclear Information System (INIS)

Ruckman, M.W.; del Giudice, M.; Joyce, J.J.; Weaver, J.H.

1986-01-01

Photoemission spectra of the Ga and As 3d core levels, the Ti 3p core levels, and the valence bands have been used to study the formation of the Ti/GaAs(110) interface. These results indicate that a multicomponent interfacial zone forms with reaction initiated at ultralow coverage and a rapid shift of E/sub F/ as the Schottky barrier forms (core-level shift 625 meV). After the onset of reaction, the Ga 3d core level shifts continuously to lower binding energy with increasing coverage (total shift of 1.66 eV by roughly-equal60 A Ti deposition). The As core-level profile indicates immediate reaction, the formation of two Ti: As bonding configurations at low coverage, and the appearance of another which persists to very high Ti coverage (> or =160 A) and is characteristic of a Ti-metal-rich environment. Core-level intensity profiles show preferential out-diffusion of As at every stage of interface formation. Core studies of the evolving Ti 3p emission show gradual convergence to bulk Ti as the overlayer becomes increasingly Ti rich. Likewise, valence-band studies reveal predominantly As-derived states below metal d states at E/sub F/. Comparison to previous results for Cr, V, Ce, and Sm overlayers on GaAs shows parallel trends in interface formation with differences related to the metal overlayer

New insights on the synthesis and electronic transport in bulk polycrystalline Pr-doped SrTiO3−δ

International Nuclear Information System (INIS)

Dehkordi, Arash Mehdizadeh; Bhattacharya, Sriparna; Darroudi, Taghi; Alshareef, Husam N.; Tritt, Terry M.

2015-01-01

Recently, we have reported a significant enhancement in the electronic and thermoelectric properties of bulk polycrystalline SrTiO 3 ceramics via praseodymium doping. This improvement was originated from the simultaneous enhancement in the thermoelectric power factor and reduction in thermal conductivity, which was contributed to the non-uniform distribution of Pr dopants. In order to further understand the underlying mechanism, we herein investigate the role of praseodymium doping source (Pr 2 O 3 versus Pr 6 O 11 ) on the synthesis and electronic transport in Pr-doped SrTiO 3 ceramics. It was observed that the high-temperature electronic transport properties are independent of the choice of praseodymium doping source for samples prepared following our synthesis strategy. Theoretical calculations were also performed in order to estimate the maximum achievable power factor and the corresponding optimal carrier concentration. The result suggests the possibility of further improvement of the power factor. This study should shed some light on the superior electronic transport in bulk polycrystalline Pr-doped SrTiO 3 ceramics and provide new insight on further improvement of the thermoelectric power factor

New insights on the synthesis and electronic transport in bulk polycrystalline Pr-doped SrTiO3−δ

KAUST Repository

Dehkordi, Arash Mehdizadeh

2015-02-07

Recently, we have reported a significant enhancement in the electronic and thermoelectric properties of bulk polycrystalline SrTiO3 ceramics via praseodymium doping. This improvement was originated from the simultaneous enhancement in the thermoelectric power factor and reduction in thermal conductivity, which was contributed to the non-uniform distribution of Pr dopants. In order to further understand the underlying mechanism, we herein investigate the role of praseodymium doping source (Pr2O3 versus Pr6O11) on the synthesis and electronic transport in Pr-doped SrTiO3 ceramics. It was observed that the high-temperature electronic transport properties are independent of the choice of praseodymium doping source for samples prepared following our synthesis strategy. Theoretical calculations were also performed in order to estimate the maximum achievable power factor and the corresponding optimal carrier concentration. The result suggests the possibility of further improvement of the power factor. This study should shed some light on the superior electronic transport in bulk polycrystalline Pr-doped SrTiO3 ceramics and provide new insight on further improvement of the thermoelectric power factor.

Water on Graphene-Coated TiO2: Role of Atomic Vacancies

Science.gov (United States)

2018-01-01

Beyond two-dimensional (2D) materials, interfaces between 2D materials and underlying supports or 2D-coated metal or metal oxide nanoparticles exhibit excellent properties and promising applications. The hybrid interface between graphene and anatase TiO2 shows great importance in photocatalytic, catalytic, and nanomedical applications due to the excellent and complementary properties of the two materials. Water, as a ubiquitous and essential element in practical conditions and in the human body, plays a significant role in the applications of graphene/TiO2 composites for both electronic devices and nanomedicine. Carbon vacancies, as common defects in chemically prepared graphene, also need to be considered for the application of graphene-based materials. Therefore, the behavior of water on top and at the interface of defective graphene on anatase TiO2 surface was systematically investigated by dispersion-corrected hybrid density functional calculations. The presence of the substrate only slightly enhances the on-top adsorption and reduces the on-top dissociation of water on defective graphene. However, at the interface, dissociated water is largely preferred compared with undissociated water on bare TiO2 surface, showing a prominent cover effect. Reduced TiO2 may further induce oxygen diffusion into the bulk. Our results are helpful to understand how the presence of water in the surrounding environment affects structural and electronic properties of the graphene/TiO2 interface and thus its application in photocatalysis, electronic devices, and nanomedicine. PMID:29368503

Penetration resistance and ballistic-impact behavior of Ti/TiAl3 metal/intermetallic laminated composites (MILCs: A computational investigation

Directory of Open Access Journals (Sweden)

Jennifer S. Snipes

2016-06-01

Full Text Available A comprehensive computational engineering analysis is carried out in order to assess suitability of the Ti/TiAl3 metal/intermetallic laminated composites (MILCs for use in both structural and add-on armor applications. This class of composite materials consists of alternating sub-millimeter thick layers of Ti (the ductile and tough constituent and TiAl3 (the stiff and hard constituent. In recent years, this class of materials has been investigated for potential use in light-armor applications as a replacement for the traditional metallic or polymer-matrix composite materials. Within the computational analysis, an account is given to differing functional requirements for candidate materials when used in structural and add-on ballistic armor. The analysis employed is of a transient, nonlinear-dynamics, finite-element character, and the problem investigated involves normal impact (i.e. under zero obliquity angle of a Ti/TiAl3 MILC target plate, over a range of incident velocities, by a fragment simulating projectile (FSP. This type of analysis can provide more direct information regarding the ballistic limit of the subject armor material, as well as help with the identification of the nature and the efficacy of various FSP material-deformation/erosion and kinetic-energy absorption/dissipation phenomena and processes. The results obtained clearly revealed that Ti/TiAl3 MILCs are more suitable for use in add-on ballistic, than in structural armor applications.

Structural study of conventional and bulk metallic glasses during annealing

International Nuclear Information System (INIS)

Pineda, E.; Hidalgo, I.; Bruna, P.; Pradell, T.; Labrador, A.; Crespo, D.

2009-01-01

Metallic glasses with conventional glass-forming ability (Al-Fe-Nd, Fe-Zr-B, Fe-B-Nb compositions) and bulk metallic glasses (Ca-Mg-Cu compositions) were studied by synchrotron X-ray diffraction during annealing throughout glass transition and crystallization temperatures. The analysis of the first diffraction peak position during the annealing process allowed us to follow the free volume change during relaxation and glass transition. The structure factor and the radial distribution function of the glasses were obtained from the X-ray measurements. The structural changes occurred during annealing are analyzed and discussed.

Enhanced photoelectrochemical activity in all-oxide heterojunction devices based on correlated "metallic" oxides.

Science.gov (United States)

Apgar, Brent A; Lee, Sungki; Schroeder, Lauren E; Martin, Lane W

2013-11-20

n-n Schottky, n-n ohmic, and p-n Schottky heterojunctions based on TiO2 /correlated "metallic" oxide couples exhibit strong solar-light absorption driven by the unique electronic structure of the "metallic" oxides. Photovoltaic and photocatalytic responses are driven by hot electron injection from the "metallic" oxide into the TiO2 , enabling new modalities of operation for energy systems. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of MoSi2 Content on Dry Sliding Tribological Properties of Zr-Based Bulk Metallic Glass Composites

Science.gov (United States)

Liu, Longfei; Yang, Jun

2017-12-01

Zr55Cu30Al10Ni5 bulk metallic glass and its composites were prepared by suction casting into a copper mold. The effect of MoSi2 content on the tribological behavior of Zr55Cu30Al10Ni5 BMG was studied by using a high-speed reciprocating friction and wear tester. The results indicate that the friction coefficient and wear resistance of the BMGs can be improved by a certain amount of crystalline phase induced by MoSi2 content from 1 to 3% and deteriorated with MoSi2 content of 4%. The wear mechanism of both the metallic glass and its composite is abrasive wear. The mechanism of crystalline phase-dependent tribological properties of the composite was discussed based on the wear track and mechanical properties in the present work. The wear behavior of Zr55Cu30Al10Ni5 BMG and its composite indicates that a good combination of the toughness and the hardness can make the composite be well wear resistant.

Microstructure and bonding mechanism of Al/Ti bonded joint using Al-10Si-1Mg filler metal

International Nuclear Information System (INIS)

Sohn, Woong H.; Bong, Ha H.; Hong, Soon H.

2003-01-01

The microstructures and liquid state diffusion bonding mechanism of cp-Ti to 1050 Al using an Al-10.0wt.%Si-1.0wt.%Mg filler metal with 100 μm in thickness have been investigated at 620 deg. C under 1x10 -4 Torr. The effects of bonding process parameters on microstructure of bonded joint have been analyzed by using an optical microscope, AES, scanning electron microscopy and EDS. The interfacial bond strength of Al/Ti bonded joints was measured by the single lap shear test. The results show that the bonding at the interface between Al and filler metal proceeds by wetting the Al with molten filler metal, and followed by removal of oxide layer on surface of Al. The interface between Al and filler metal moved during the isothermal solidification of filler metal by the diffusion of Si from filler metal into Al layer. The interface between Al and filler metal became curved in shape with increasing bonding time due to capillary force at grain boundaries. The bonding at the interface between Ti and filler metal proceeds by the formation of two different intermetallic compound layers, identified as Al 5 Si 12 Ti 7 and Al 12 Si 3 Ti 5 , followed by the growth of the intermetallic compound layers. The interfacial bond strength at Al/Ti joint increased with increasing bonding time up to 25 min at 620 deg. C. However, the interfacial bond strength of Al/Ti joint decreased after bonding time of 25 min at 620 deg. C due to formation of cavities in Al near Al/intermetallic interfaces

Ti-dopant-enhanced photocatalytic activity of a CaFe{sub 2}O{sub 4}/MgFe{sub 2}O{sub 4} bulk heterojunction under visible-light irradiation

Energy Technology Data Exchange (ETDEWEB)

Borse, Pramod H. [International Advanced Research Center for Powder Metallurgy and New Materials, Hyderabad (India); Kim, Jae Y.; Lee, Jae S. [Pohang University of Science and Technology, Pohang (Korea, Republic of); Lim, Kwon T. [Pukyong National University, Busan (Korea, Republic of); Jeong, Euh D.; Bae, Jong S.; Yoon, Jang H.; Yu, Seong M.; Kim, Hyun G. [Korea Basic Science Institute, Busan (Korea, Republic of)

2012-07-15

The effect substitution of Ti{sup 4+} at the Fe{sup 3+} site in a CaFe{sub 2}O{sub 4{sup -}}MgFe{sub 2}O{sub 4} bulk hetero-junction (BH) lattice photocatalyst was explored and the Ti ion concentration was optimized to fabricate an efficient photocatalyst. A BH consisting of an optimum dopant concentration (Ti{sup +4}) level of x = 0.03 exhibited an increased band gap and generated a 1.5 times higher photocurrent. The newly fabricated Ti ion doped photocatalyst showed an enhanced quantum yield (up to ∼13.3%) for photodecomposition of a H{sub 2}O-CH{sub 3}OH mixture, as compared to its undoped BH counterpart under visible light (λ ≥ 420 nm). In contrast, the material doped with a very high Ti-dopant concentration displayed deteriorated photochemical properties. An efficient charge-separation induced by Ti-ion doping seems to be responsible for the higher photocatalytic activity in a doped bulk BH.

Effects of metal binder on the microstructure and mechanical properties of Ti(C,N)-based cermets

Energy Technology Data Exchange (ETDEWEB)

Xu, Qingzhong; Ai, Xing, E-mail: aixingsdu@163.com; Zhao, Jun; Gong, Feng; Pang, Jiming; Wang, Yintao

2015-09-25

Highlights: • Ni–Co binder improves the solid solution reaction and the wetting of hard phases. • Cermets with 25 wt.% binder have evenly distributed grains with moderate rims. • Co/(Ni + Co) ratios influence the grain sizes and microstructure features of cermets. • The cermets with pure Co as binder exhibit optimal mechanical properties. - Abstract: To optimize the mechanical properties of Ti(C,N)-based cermets used as tool materials, the cermets with different Ni–Co binder contents and Co/(Ni + Co) weight ratios were prepared. The effects of metal binder content and Co/(Ni + Co) ratio on the microstructure and mechanical properties of Ti(C,N)-based cermets were investigated by scanning electron microscope (SEM) with energy dispersive spectroscopy (EDS), X-ray diffraction (XRD), and measuring the transverse rupture strength (TRS), Vickers hardness (HV) and fracture toughness (K{sub IC}). The experimental results reveal that increasing Ni–Co binder content can increase the thickness of rim phases by improving the solid solution reaction and the wetting of hard phases. The cermets with 25 wt.% binder addition present good comprehensive mechanical properties, which is attributed to the moderate rim phases and uniformly distributed Ti(C,N) grains. The Co/(Ni + Co) weight ratios in binder have a great influence on the grain sizes and microstructure features of Ti(C,N)-based cermets, in virtue of the synergic effects between the wettability of Co and the solubilizing capacity of Ni on hard phases. The cermets with pure Co as binder exhibit optimal mechanical properties with a TRS of 1767 ± 81 MPa, a hardness of 12.26 ± 0.10 GPa and a K{sub IC} of 8.40 ± 0.47 MPa m{sup 1/2}, which meet the requirements for tool materials. And the cermets with a Co/(Ni + Co) ratio of 0.2 have the second best mechanical properties with a TRS of 1848 ± 201 MPa, a hardness of 11.12 ± 0.40 GPa and a K{sub IC} of 9.43 ± 0.54 MPa m{sup 1/2}, in which the lower hardness can

Nanoindentation study on the characteristic of shear transformation zone in a Pd-based bulk metallic glass during serrated flow

Science.gov (United States)

Liao, G. K.; Long, Z. L.; Zhao, M. S. Z.; Peng, L.; Chai, W.; Ping, Z. H.

2018-04-01

This paper presents the research on the evolution of shear transformation zone (STZ) in a Pd-based bulk metallic glass (BMG) during serrated flow under nanoindentation. A novel method of estimating the STZ volume through statistical analysis of the serrated flow behavior was proposed for the first time. Based on the proposed method, the STZ volume of the studied BMG at various peak loads have been systematically investigated. The results indicate that the measured STZ volumes are in good agreement with that documented in literature, and the STZ size exhibits an increasing trend during indentation. Moreover, the correlation between the serrated flow dynamics and the STZ activation has also been evaluated. It is found that the STZ activation can promote the formation of self-organized critical (SOC) state during serrated flow.

First-Principles Investigations of the Structural, Anisotropic Mechanical, Thermodynamic and Electronic Properties of the AlNi2Ti Compound

Directory of Open Access Journals (Sweden)

Shuli Tang

2018-02-01

Full Text Available In this paper, the electronic, mechanical and thermodynamic properties of AlNi2Ti are studied by first-principles calculations in order to reveal the influence of AlNi2Ti as an interfacial phase on ZTA (zirconia toughened alumina/Fe. The results show that AlNi2Ti has relatively high mechanical properties, which will benefit the impact or wear resistance of the ZTA/Fe composite. The values of bulk, shear and Young’s modulus are 164.2, 63.2 and 168.1 GPa respectively, and the hardness of AlNi2Ti (4.4 GPa is comparable to common ferrous materials. The intrinsic ductile nature and strong metallic bonding character of AlNi2Ti are confirmed by B/G and Poisson’s ratio. AlNi2Ti shows isotropy bulk modulus and anisotropic elasticity in different crystallographic directions. At room temperature, the linear thermal expansion coefficient (LTEC of AlNi2Ti estimated by quasi-harmonic approximation (QHA based on Debye model is 10.6 × 10−6 K−1, close to LTECs of zirconia toughened alumina and iron. Therefore, the thermal matching of ZTA/Fe composite with AlNi2Ti interfacial phase can be improved. Other thermodynamic properties including Debye temperature, sound velocity, thermal conductivity and heat capacity, as well as electronic properties, are also calculated.

Alkoxide-based precursors for direct drawing of metal oxide micro- and nanofibres

Energy Technology Data Exchange (ETDEWEB)

Taette, Tanel; Hussainov, Medhat; Paalo, Madis; Part, Marko; Talviste, Rasmus; Kiisk, Valter; Maendar, Hugo; Pohako, Kaija; Reivelt, Kaido; Lohmus, Ants [Institute of Physics, University of Tartu, Riia 142, Tartu 51014 (Estonia); Pehk, Tonis [National Institute of Chemical and Biological Physics, Akadeemia tee 23, Tallinn 12618 (Estonia); Natali, Marco [ICIS-CNR, Corso Stati Uniti 4, Padova 35127 (Italy); Gurauskis, Jonas [Instituto de Ciencia de Materiales de Aragon C.S.I.C., University of Zaragoza Fac. De Ciencias, c/Pedro Cerbuna 12, Zaragoza 50009 (Spain); Maeeorg, Uno, E-mail: tanelt@fi.tartu.ee [Institute of Chemistry, University of Tartu, Ravila 14a, Tartu 50411 (Estonia)

2011-06-15

The invention of electrospinning has solved the problem of producing micro- and nanoscaled metal oxide fibres in bulk quantities. However, until now no methods have been available for preparing a single nanofibre of a metal oxide. In this work, the direct drawing method was successfully applied to produce metal oxide (SnO{sub 2}, TiO{sub 2}, ZrO{sub 2}, HfO{sub 2} and CeO{sub 2}) fibres with a high aspect ratio (up to 10 000) and a diameter as small as 200 nm. The sol-gel processing includes consumption of precursors obtained from alkoxides by aqueous or non-aqueous polymerization. Shear thinning of the precursors enables pulling a material into a fibre. This rheological behaviour can be explained by sliding of particles owing to external forces. Transmission (propagation) of light along microscaled fibres and their excellent surface morphology suggest that metal oxide nanofibres can be directly drawn from sol precursors for use in integrated photonic systems.

Advanced Wear Simulation for Bulk Metal Forming Processes

Directory of Open Access Journals (Sweden)

Behrens Bernd-Arno

2016-01-01

Full Text Available In the recent decades the finite element method has become an essential tool for the cost-efficient virtual process design in the metal forming sector in order to counter the constantly increasing quality standards, particularly from the automotive industry as well as intensified international competition in the forging industry. An optimized process design taking precise tool wear prediction into account is a way to increase the cost-efficiency of the bulk metal forming processes. The main objective of the work presented in this paper is a modelling algorithm, which allows predicting die wear with respect to a geometry update during the forming simulation. Changes in the contact area caused by geometry update lead to the different die wear distribution. It primarily concerns the die areas, which undergo high thermal and mechanical loads.

Compressive yielding of tungsten fiber reinforced bulk metallic glass composites

Energy Technology Data Exchange (ETDEWEB)

Clausen, B.; Lee, S.-Y.; Uestuendag, E.; Aydiner, C.C.; Conner, R.D.; Bourke, M.A.M

2003-07-15

In-situ uniaxial compression tests were conducted on four tungsten fiber reinforced bulk metallic glass matrix composites using neutron diffraction. The results were interpreted with a finite element model. Both phases were seen to approximately obey the von Mises yield criterion. The fibers were observed to yield first and then transfer load to the matrix.

Compressive yielding of tungsten fiber reinforced bulk metallic glass composites

International Nuclear Information System (INIS)

Clausen, B.; Lee, S.-Y.; Uestuendag, E.; Aydiner, C.C.; Conner, R.D.; Bourke, M.A.M.

2003-01-01

In-situ uniaxial compression tests were conducted on four tungsten fiber reinforced bulk metallic glass matrix composites using neutron diffraction. The results were interpreted with a finite element model. Both phases were seen to approximately obey the von Mises yield criterion. The fibers were observed to yield first and then transfer load to the matrix

The metallic interface between the two band insulators LaGaO3 and SrTiO3

KAUST Repository

Nazir, Safdar; Schwingenschlö gl, Udo; Singh, Nirpendra

2011-01-01

The formation of metallic interface states between the two band insulators LaGaO3 and SrTiO3 is studied by the full-potential linearized augmented plane-wave method based on density functional theory.Structural optimization of the atomic positions points to only small changes of the chemical bonding at the interface. The n-type (LaO/TiO2) and p-type (GaO2/SrO) interfaces turn out to be metallic. Reduction of the O content increases the conductivity of the n-type interface, while the p-type interface can be turned gradually from a hole doped into an electron doped state.

The metallic interface between the two band insulators LaGaO3 and SrTiO3

KAUST Repository

Nazir, Safdar

2011-06-28

The formation of metallic interface states between the two band insulators LaGaO3 and SrTiO3 is studied by the full-potential linearized augmented plane-wave method based on density functional theory.Structural optimization of the atomic positions points to only small changes of the chemical bonding at the interface. The n-type (LaO/TiO2) and p-type (GaO2/SrO) interfaces turn out to be metallic. Reduction of the O content increases the conductivity of the n-type interface, while the p-type interface can be turned gradually from a hole doped into an electron doped state.

Transparent conductive electrodes of mixed TiO2−x–indium tin oxide for organic photovoltaics

KAUST Repository

Lee, Kyu-Sung

2012-05-22

A transparent conductive electrode of mixed titanium dioxide (TiO2−x)–indium tin oxide (ITO) with an overall reduction in the use of indium metal is demonstrated. When used in organic photovoltaicdevices based on bulk heterojunction photoactive layer of poly (3-hexylthiophene) and [6,6]-phenyl C61 butyric acid methyl ester, a power conversion efficiency of 3.67% was obtained, a value comparable to devices having sputtered ITO electrode. Surface roughness and optical efficiency are improved when using the mixed TiO2−x–ITO electrode. The consumption of less indium allows for lower fabrication cost of such mixed thin filmelectrode.

Work Function Tuning in Sub-20nm Titanium Nitride (TiN) Metal Gate: Mechanism and Engineering

KAUST Repository

Hasan, Mehdi

2011-07-01

Scaling of transistors (the building blocks of modern information age) provides faster computation at the expense of excessive power dissipation. Thus to address these challenges, high-k/metal gate stack has been introduced in commercially available microprocessors from 2007. Since then titanium nitride (TiN) metal gate’s work function (Wf) tunability with its thickness (thickness increases, work function increases) is a well known phenomenon. Many hypotheses have been made over the years which include but not limited to: trap charge and metal gate nucleation, nitrogen concentration, microstructure agglomeration and global stress, metal oxide formation, and interfacial oxide thickness. However, clear contradictions exist in these assumptions. Also, nearly all these reports skipped a comprehensive approach to explain this complex paradigm. Therefore, in this work we first show a comprehensive physical investigation using transmission electron microcopy/electron energy loss spectroscopy (TEM/EELS), x-ray diffraction (XRD), x-ray photoelectron spectroscopy (XPS) and secondary ion mass spectroscopy (SIMS) to show replacement of oxygen by nitrogen in the metal/dielectric interface, formation of TiONx, reduction of Ti/N concentration and grain size increment happen with TiN thickness increment and thus may increase the work function. Then, using these finding, we experimentally show 100meV of work function modulation in 10nm TiN Metal-oxide-semiconductor capacitor by using low temperature oxygen annealing. A low thermal budget flow (replicating gate-last) shows similar work function boost up. Also, a work function modulation of 250meV has been possible using oxygen annealing and applying no thermal budget. On the other hand, etch-back of TiN layer can decrease the work function. Thus this study quantifies role of various factors in TiN work function tuning; it also reproduces the thickness varied TiN work function modulation in single thickness TiN thus reducing the

[Ti8Zr2O12(COO)16] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks.

Science.gov (United States)

Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai

2018-01-24

Metal-organic frameworks (MOFs) based on Ti-oxo clusters (Ti-MOFs) represent a naturally self-assembled superlattice of TiO 2 nanoparticles separated by designable organic linkers as antenna chromophores, epitomizing a promising platform for solar energy conversion. However, despite the vast, diverse, and well-developed Ti-cluster chemistry, only a scarce number of Ti-MOFs have been documented. The synthetic conditions of most Ti-based clusters are incompatible with those required for MOF crystallization, which has severely limited the development of Ti-MOFs. This challenge has been met herein by the discovery of the [Ti 8 Zr 2 O 12 (COO) 16 ] cluster as a nearly ideal building unit for photoactive MOFs. A family of isoreticular photoactive MOFs were assembled, and their orbital alignments were fine-tuned by rational functionalization of organic linkers under computational guidance. These MOFs demonstrate high porosity, excellent chemical stability, tunable photoresponse, and good activity toward photocatalytic hydrogen evolution reactions. The discovery of the [Ti 8 Zr 2 O 12 (COO) 16 ] cluster and the facile construction of photoactive MOFs from this cluster shall pave the way for the development of future Ti-MOF-based photocatalysts.

Anomalous metallic state with strong charge fluctuations in BaxTi8O16 +δ revealed by hard x-ray photoemission spectroscopy

Science.gov (United States)

Dash, S.; Kajita, T.; Okawa, M.; Saitoh, T.; Ikenaga, E.; Saini, N. L.; Katsufuji, T.; Mizokawa, T.

2018-04-01

We have studied a charge-orbital driven metal-insulator transition (MIT) in hollandite-type BaxTi8O16 +δ by means of hard x-ray photoemission spectroscopy (HAXPES). The Ti 2 p HAXPES indicates strong Ti3 +/Ti4 + charge fluctuation in the metallic phase above the MIT temperature. The metallic phase is characterized by a power-law spectral function near the Fermi level which would be a signature of bad metal with non-Drude polaronic behavior. The power-law spectral shape is associated with the large Seebeck coefficient of the metallic phase in BaxTi8O16 +δ .

Cu-TiB metal matrix composites prepared by powder metallurgy route

Directory of Open Access Journals (Sweden)

Guo Z.

2015-01-01

Full Text Available Titanium boride (TiB is characterized by good conductivity, high strength and high melting point. In this work, TiB was used to make Cu-TiB metal matrix composites (MMCs. Amounts of TiB added into Cu matrix were 2wt.%, 5wt.%, 10 wt.% and 15 wt.%. The samples were pressed at pressures of 500MPa, 600MPa, 700MPa and 800MPa and sintered at 820o and 920o, respectively. The properties of the sintered composites such as hardness and impact toughness were studied. Hardness and impact toughness of samples increased with increasing pressures and decreased with increasing contents of TiB. Composite with good mechanical properties and high conductivity was obtained from the sample containing 2wt.%TiB compacted at 800MPa and sintered at 920o. It was shown that 2wt.% TiB is a suitable content to make Cu-TiB MMCs with good mechanical properties and excellent conductivity.

Resistive switching in ZrO{sub 2} based metal-oxide-metal structures

Energy Technology Data Exchange (ETDEWEB)

Kaerkkaenen, Irina

2014-07-01

detail for 20 nm thick ZrO{sub 2} films grown by an ozone based ALD process and integrated into Pt/ZrO{sub 2}/Ti/Pt cells while the thickness of the electrochemically active electrode (Ti) was varied from 0 nm to 40 nm. Cells with a thin EAE (<20 nm Ti) exhibited a UP-type RS behavior, while cells with thick EAE (>20 nm Ti) showed BP switching characteristics at a lower current compliance as the UP switching cells. A detailed structural analysis of the ozone grown ZrO{sub 2} films revealed a polycrystalline structure of columnar shaped grains with a meta-stable cubic-tetragonal ZrO{sub 2} phase. In the second part of the thesis an empirical model for the polarity dependence of the RS in the ALD ZrO{sub 2} based devices as a function of the EAE thickness was suggested. The model assumed a columnar shaped microstructure and certain impurity content for the ZrO{sub 2} films. In addition, the results of current-voltage behavior, temperature dependency of the resistance states and impedance spectroscopy (IS) measurements of different devices in different RS states were considered. Impedance spectroscopy measurements of UP and BP type switching devices with the same ZrO{sub 2} films but with different EAE thicknesses were carried out for the states prior to electroforming (pristine), after RS into the ON-state and after RS into the OFF-state. The different devices in their pristine states exhibited nearly identical IS characteristics while the ON and OFF states of the UP and BP devices revealed pronounced differences. In the model, the UP switching in ZrO{sub 2} based devices with thin EAE was described as a result of a noncomplete local reduction of the grain boundary cores, which might gave rise to a hard thermal breakdown and the formation of metallic like conduction paths. On the contrary, the suggested idea for BP switching of ZrO{sub 2} based devices with thick EAE based on the formation of local semiconducting oxygen depleted ZrO{sub 2-x} filament-like regions along

Effect of composition and technique of production, on the mechanical behaviour of based-zirconium metallic glasses

International Nuclear Information System (INIS)

Nowak, Sophie

2009-01-01

The metallic glasses are relatively new materials (50 years), produced by quenching a molten alloy. The amorphous structure of these materials gives them unique properties: very high strength (fracture stress is about 1.7 GPa for Zr based alloys), an elastic deformation reaching 2%, but little or no ductility. The compositions, which could produce both amorphous and bulk samples, are limited. The work, detailed in this manuscript, shows the possibility of sintering using SPS (Spark Plasma Sintering) amorphous powders obtained by atomization (Φaverage = 70 microns). The result is a fully densified and near fully amorphous sample. The optimization of this technique, with the composition Zr 57 Cu 20 Al 10 Ni 8 Ti 5 , gave samples for which mechanical behaviour is close to the bulk metallic glass behaviour. However, partial crystallization of the material occurs, localized at the contact points of particles, but could be reduced by deepening the sintering model outlined in this manuscript. In view of these results, new compositions are designed, and the production of ribbons was conducted. The characterization by nano-indentation estimates reliably the mechanical properties of these alloys. Finally, a new method, evaluating the activation volume, which is the elementary volume initiating plastic deformation, is presented. This technique is a statistical analysis of pseudo-creep tests performed by nano-indentation, at room temperature. In conclusion, this work opens new perspectives to develop bulk samples in broad range of compositions. (author)

Correlation between microstructure and internal friction in a Zr41.2-Ti13.8-Cu12.5-Ni8- Be22.5-Fe2 bulk metallic glass

International Nuclear Information System (INIS)

Wang, Q.; Pelletier, J.M.; Da Dong, Y.; Ji, Y.F.; Xiu, H.

2004-01-01

The microstructural evolution in a Zr-Ti-Cu-Ni-Be-Fe bulk metallic glass (BMG) has been investigated by measurements of dynamical shear modulus and internal friction combined with other analytical methods such as differential scanning calorimetry (DSC), X-ray diffraction (XRD) and high resolution transmission electron microscopy (TEM). When heated from room temperature up to 873 K, the as-received BMG exhibits an exponential increase in internal friction accompanying the strong decrease of storage modulus and the presence of the first loss modulus peak during the dynamic glass transition, which can be well described using quasi-point defect model. The correlative changes of the mechanical response at higher temperature are associated with the crystallisation process of the supercooled liquid phase, which occurs in four different stages. It is shown that the main crystallisation process is completed in the first two stages. With further increasing temperature, the remaining amorphous phases crystallise and/or the metastable crystalline phases are transformed into the stable ones. Isothermal annealing were also performed at temperatures in the supercooled liquid region far below the onset temperature of the crystallisation process (T x ). Their influence on microstucture and internal friction behaviour of the BMG is also presented in this paper. The most striking result is that the internal friction is very sensitive to the local atomic short range ordering induced by the preheating treatment

Zr61Ti2Cu25Al12 metallic glass for potential use in dental implants: Biocompatibility assessment by in vitro cellular responses

International Nuclear Information System (INIS)

Li, Jing; Shi, Ling-ling; Zhu, Zhen-dong; He, Qiang; Ai, Hong-jun; Xu, Jian

2013-01-01

In comparison with titanium and its alloys, Zr 61 Ti 2 Cu 25 Al 12 (ZT1) bulk metallic glass (BMG) manifests a good combination of high strength, high fracture toughness and lower Young's modulus. To examine its biocompatibility required for potential use in dental implants, this BMG was used as a cell growth subtract for three types of cell lines, L929 fibroblasts, human umbilical vein endothelial cells (HUVEC), and osteoblast-like MG63 cells. For a comparison, these cell lines were in parallel cultured and grown also on commercially pure titanium (CP-Ti) and Ti6–Al4–V alloy (Ti64). Cellular responses on the three metals, including adhesion, morphology and viability, were characterized using the SEM visualization and CCK-8 assay. Furthermore, real-time RT-PCR was used to measure the activity of integrin β, alkaline phosphatase (ALP) and type I collagen (COL I) in adherent MG63 cells. As indicated, in all cases of three cell lines, no significant differences in the initial attachment and viability/proliferation were found between ZT1, CP-Ti, and Ti64 until 5 d of incubation period. It means that the biocompatibility in cellular response for ZT1 BMG is comparable to Ti and its alloys. For gene expression of integrin β, ALP and COL I, mRNA level from osteoblast cells grown on ZT1 substrates is significantly higher than that on the CP-Ti and Ti64. It suggests that the adhesion and differentiation of osteoblasts grown on ZT1 are even superior to those on the CP-Ti and Ti64 alloy, then promoting bone formation. The good biocompatibility of ZT1 BMG is associated with the formation of zirconium oxide layer on the surface and good corrosion-resistance in physiological environment. Quantitative analysis of Real-time PCR for MG63 cells cultured on Zr 61 Ti 2 Cu 25 Al 12 BMG, CP-Ti, and Ti64 as well as plastic as a control at several incubation periods. Relative amounts of (a) integrin β, (b) ALP, and (c) COL I (*p < 0.05). Highlights: ► Cellular response to ZrTi

Structural and Electrochemical Study of Vanadium-Doped TiO2 Ramsdellite with Superior Lithium Storage Properties for Lithium-Ion Batteries.

Science.gov (United States)

Pérez-Flores, Juan Carlos; Hoelzel, Markus; García-Alvarado, Flaviano; Kuhn, Alois

2016-04-04

Titanium-oxide-based materials are considered attractive and safe alternatives to carbonaceous anodes in Li-ion batteries. In particular, the ramsdellite form TiO2 (R) is known for its superior lithium-storage ability as the bulk material when compared with other titanates. In this work, we prepared V-doped lithium titanate ramsdellites with the formula Li0.5 Ti1-x Vx O2 (0≤x≤0.5) by a conventional solid-state reaction. The lithium-free Ti1-x Vx O2 compounds, in which the ramsdellite framework remains virtually unaltered, are easily obtained by a simple aqueous oxidation/ion-extraction process. Neutron powder diffraction is used to locate the Li channel site in Li0.5 Ti1-x Vx O2 compounds and to follow the lithium extraction by difference-Fourier maps. Previously delithiated Ti1-x Vx O2 ramsdellites are able to insert up to 0.8 Li(+) per transition-metal atom. The initial gravimetric capacities of 270 mAh g(-1) with good cycle stability under constant current discharge conditions are among the highest reported for bulk TiO2 -related intercalation compounds for the threshold of one e(-) per formula unit. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Enhanced performance of P3HT/(PCBM:ZnO:TiO{sub 2}) blend based hybrid organic solar cells

Energy Technology Data Exchange (ETDEWEB)

Ikram, M., E-mail: mianraj.1981@gmail.com [Solar Application Lab, Department of Physics, Government College University Lahore, 54000 Pakistan (Pakistan); Murray, R. [Department of Physics and Astronomy, University of Delaware, Delaware 19716 (United States); Imran, M. [Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, 29 Zhongguancun East Road, Haidian District, Beijing 100190 (China); Ali, S. [Solar Application Lab, Department of Physics, Government College University Lahore, 54000 Pakistan (Pakistan); Shah, S.Ismat [Department of Materials Science and Engineering, University of Delaware, Delaware 19716 (United States); Department of Physics and Astronomy, University of Delaware, Delaware 19716 (United States)

2016-03-15

Highlights: • We fabricated hybrid bulk heterojunction organic solar cells. • TiO{sub 2} and ZnO nanoparticles replace PCBM with fixed amount of P3HT in active layer • PCE was significantly improved by the introduction of TiO{sub 2} and ZnO. • A possible route toward low-cost OPV. • To the best of my knowledge, this work is the first time going to report. - Abstract: Quaternary blend hybrid organic solar cells enjoy both an increased light absorption range and an easy method to fabricate because of the simple structure. In this study effects of mixing inorganic metal oxides (ZnO and TiO{sub 2}) nanoparticles to the active layer of organic photovoltaics devices were investigated. The active layer primarily consists of various ratios of electron donor poly (3-hexylthiophene) (P3HT) and an electron acceptor [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) together with nanostructured ZnO and TiO{sub 2} dispersed in chlorobenzene (CB) and 1,2-dichlorobenzene (DCB). The ratio of PCBM to nanoparticles was varied keeping the ratio of P3HT to acceptor material constant. Mixing of nanoparticle plays a significant role in the resulting power conversion efficiency (PCE) of the devices. An increased PCE for ZnO/TiO{sub 2} doped devices can be attributed to increased absorption in the visible region and enhanced charge collection due to the percolation networks formed by metal oxides nanoparticles.

Laser-Based Additive Manufacturing of Zirconium

Directory of Open Access Journals (Sweden)

Himanshu Sahasrabudhe

2018-03-01

Full Text Available Additive manufacturing of zirconium is attempted using commercial Laser Engineered Net Shaping (LENSTM technique. A LENSTM-based approach towards processing coatings and bulk parts of zirconium, a reactive metal, aims to minimize the inconvenience of traditional metallurgical practices of handling and processing zirconium-based parts that are particularly suited to small volumes and one-of-a-kind parts. This is a single-step manufacturing approach for obtaining near net shape fabrication of components. In the current research, Zr metal powder was processed in the form of coating on Ti6Al4V alloy substrate. Scanning electron microscopy (SEM and energy dispersive spectroscopy (EDS as well as phase analysis via X-ray diffraction (XRD were studied on these coatings. In addition to coatings, bulk parts were also fabricated using LENS™ from Zr metal powders, and measured part accuracy.

High-entropy bulk metallic glasses as promising magnetic refrigerants

International Nuclear Information System (INIS)

Huo, Juntao; Huo, Lishan; Li, Jiawei; Men, He; Wang, Xinmin; Chang, Chuntao; Wang, Jun-Qiang; Li, Run-Wei; Inoue, Akihisa

2015-01-01

In this paper, the Ho 20 Er 20 Co 20 Al 20 RE 20 (RE = Gd, Dy, and Tm) high-entropy bulk metallic glasses (HE-BMGs) with good magnetocaloric properties are fabricated successfully. The HE-BMGs exhibit a second-order magnetic phase transition. The peak of magnetic entropy change (ΔS M pk ) and refrigerant capacity (RC) reaches 15.0 J kg −1 K −1 and 627 J kg −1 at 5 T, respectively, which is larger than most rare earth based BMGs. The heterogeneous nature of glasses also contributes to the large ΔS M pk and RC. In addition, the magnetic ordering temperature, ΔS M pk and RC can be widely tuned by alloying different rare earth elements. These results suggest that the HE-BMGs are promising magnetic refrigerant at low temperatures

Influences of metallic doping on anatase crystalline titanium dioxide: From electronic structure aspects to efficiency of TiO2-based dye sensitized solar cell (DSSC)

International Nuclear Information System (INIS)

Nguyen, Thuy Trang; Tran, Van Nam; Bach, Thanh Cong

2014-01-01

In this work, we examined the influences of metallic X dopants (X = Be, Mg, Ca, Zn, Al, W and Nb) on the electronic structure of anatase TiO 2 in the framework of density functional theory (DFT). The dopant-induced electronic structure modifications are believed to directly change the photovoltaic (PV) behaviors of the X-doped TiO 2 based DSSCs. The dopants are shown to either directly inhibit the intrinsic Ti 3+ and oxygen vacancy surface defects of TiO 2 or enhance these defects depending on their valence states. These dopant-induced defect modifications, in turn, strongly affect the PV behaviors of the DSSCs. The combined effect of electronic structure and surface-defect modifications determined the photoelectric efficiency of the device. - Highlights: • Ca, Al and W dopants strongly distort the lattice and narrowed the band gap. • Nb negatively shifts while the others positive shift the conduction band bottom. • Nb and W dopants reduce Ti 4+ to Ti 3+ without forming oxygen vacancy. • Be, Mg, Ca, Zn and Al dopants induce oxygen vacancy without Ti 3+ . • Nb and W inhibit the surface defects while the others do the reversed manner

Noble metals can have different effects on photocatalysis over metal-organic frameworks (MOFs): a case study on M/NH₂-MIL-125(Ti) (M=Pt and Au).

Science.gov (United States)

Sun, Dengrong; Liu, Wenjun; Fu, Yanghe; Fang, Zhenxing; Sun, Fangxiang; Fu, Xianzhi; Zhang, Yongfan; Li, Zhaohui

2014-04-14

M-doped NH2-MIL-125(Ti) (M=Pt and Au) were prepared by using the wetness impregnation method followed by a treatment with H2 flow. The resultant samples were characterized by powder X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), X-ray absorption fine structure (XAFS) analyses, N2-sorption BET surface area, and UV/Vis diffuse reflectance spectroscopy (DRS). The photocatalytic reaction carried out in saturated CO2 with triethanolamine (TEOA) as sacrificial agent under visible-light irradiations showed that the noble metal-doping on NH2-MIL-125(Ti) promoted the photocatalytic hydrogen evolution. Unlike that over pure NH2-MIL-125(Ti), in which only formate was produced, both hydrogen and formate were formed over Pt- and Au-loaded NH2-MIL-125(Ti). However, Pt and Au have different effects on the photocatalytic performance for formate production. Compared with pure NH2-MIL-125(Ti), Pt/NH2-MIL-125(Ti) showed an enhanced activity for photocatalytic formate formation, whereas Au has a negative effect on this reaction. To elucidate the origin of the different photocatalytic performance, electron spin resonance (ESR) analyses and density functional theory (DFT) calculations were carried out over M/NH2-MIL-125(Ti).The photocatalytic mechanisms over M/NH2-MIL-125(Ti) (M=Pt and Au) were proposed. For the first time, the hydrogen spillover from the noble metal Pt to the framework of NH2-MIL-125(Ti) and its promoting effect on the photocatalytic CO2 reduction is revealed. The elucidation of the mechanism on the photocatalysis over M/NH2-MIL-125(Ti) can provide some guidance in the development of new photocatalysts based on MOF materials. This study also demonstrates the potential of using noble metal-doped MOFs in photocatalytic reactions involving hydrogen as a reactant, like hydrogenation reactions. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthesis and Isolation of the Titanium-Scandium Endohedral Fullerenes-Sc2 TiC@Ih -C80 , Sc2 TiC@D5h -C80 and Sc2 TiC2 @Ih -C80 : Metal Size Tuning of the Ti(IV) /Ti(III) Redox Potentials.

Science.gov (United States)

Junghans, Katrin; Ghiassi, Kamran B; Samoylova, Nataliya A; Deng, Qingming; Rosenkranz, Marco; Olmstead, Marilyn M; Balch, Alan L; Popov, Alexey A

2016-09-05

The formation of endohedral metallofullerenes (EMFs) in an electric arc is reported for the mixed-metal Sc-Ti system utilizing methane as a reactive gas. Comparison of these results with those from the Sc/CH4 and Ti/CH4 systems as well as syntheses without methane revealed a strong mutual influence of all key components on the product distribution. Whereas a methane atmosphere alone suppresses the formation of empty cage fullerenes, the Ti/CH4 system forms mainly empty cage fullerenes. In contrast, the main fullerene products in the Sc/CH4 system are Sc4 C2 @C80 (the most abundant EMF from this synthesis), Sc3 C2 @C80 , isomers of Sc2 C2 @C82 , and the family Sc2 C2 n (2 n=74, 76, 82, 86, 90, etc.), as well as Sc3 CH@C80 . The Sc-Ti/CH4 system produces the mixed-metal Sc2 TiC@C2 n (2 n=68, 78, 80) and Sc2 TiC2 @C2 n (2 n=80) clusterfullerene families. The molecular structures of the new, transition-metal-containing endohedral fullerenes, Sc2 TiC@Ih -C80 , Sc2 TiC@D5h -C80 , and Sc2 TiC2 @Ih -C80 , were characterized by NMR spectroscopy. The structure of Sc2 TiC@Ih -C80 was also determined by single-crystal X-ray diffraction, which demonstrated the presence of a short Ti=C double bond. Both Sc2 TiC- and Sc2 TiC2 -containing clusterfullerenes have Ti-localized LUMOs. Encapsulation of the redox-active Ti ion inside the fullerene cage enables analysis of the cluster-cage strain in the endohedral fullerenes through electrochemical measurements. © 2016 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Simplified TiO2 force fields for studies of its interaction with biomolecules

Science.gov (United States)

Luan, Binquan; Huynh, Tien; Zhou, Ruhong

2015-06-01

Engineered TiO2 nanoparticles have been routinely applied in nanotechnology, as well as in cosmetics and food industries. Despite active experimental studies intended to clarify TiO2's biological effects, including potential toxicity, the relation between experimentally inferred nanotoxicity and industry standards for safely applying nanoparticles remains somewhat ambiguous with justified concerns. Supplemental to experiments, molecular dynamics simulations have proven to be efficacious in investigating the molecular mechanism of a biological process occurring at nanoscale. In this article, to facilitate the nanotoxicity and nanomedicine research related to this important metal oxide, we provide a simplified force field, based on the original Matsui-Akaogi force field but compatible to the Lennard-Jones potentials normally used in modeling biomolecules, for simulating TiO2 nanoparticles interacting with biomolecules. The force field parameters were tested in simulating the bulk structure of TiO2, TiO2 nanoparticle-water interaction, as well as the adsorption of proteins on the TiO2 nanoparticle. We demonstrate that these simulation results are consistent with experimental data/observations. We expect that simulations will help to better understand the interaction between TiO2 and molecules.

TiO2 structures doped with noble metals and/or graphene oxide to improve the photocatalytic degradation of dichloroacetic acid.

Science.gov (United States)

Ribao, Paula; Rivero, Maria J; Ortiz, Inmaculada

2017-05-01

Noble metals have been used to improve the photocatalytic activity of TiO 2 . Noble metal nanoparticles prevent charge recombination, facilitating electron transport due to the equilibration of the Fermi levels. Furthermore, noble metal nanoparticles show an absorption band in the visible region due to a high localized surface plasmon resonance (LSPR) effect, which contributes to additional electron movements. Moreover, systems based on graphene, titanium dioxide, and noble metals have been used, considering that graphene sheets can carry charges, thereby reducing electron-hole recombination, and can be used as substrates of atomic thickness. In this work, TiO 2 -based nanocomposites were prepared by blending TiO 2 with noble metals (Pt and Ag) and/or graphene oxide (GO). The nanocomposites were mainly characterized via transmission electron microscopy (TEM), X-ray diffraction (XRD), Fourier transformed infrared (FTIR), Raman spectroscopy, and photocurrent analysis. Here, the photocatalytic performance of the composites was analyzed via oxidizing dichloroacetic acid (DCA) model solutions. The influence of the noble metal load on the composite and the ability of the graphene sheets to improve the photocatalytic activity were studied, and the composites doped with different noble metals were compared. The results indicated that the platinum structures show the best photocatalytic degradation, and, although the presence of graphene oxide in the composites is supposed to enhance their photocatalytic performance, graphene oxide does not always improve the photocatalytic process. Graphical abstract It is a schematic diagram. Where NM is Noble Metal and LSPR means Localized Surface Plasmon Resonance.

Phase stability, magnetic, electronic, half-metallic and mechanical properties of a new equiatomic quaternary Heusler compound ZrRhTiIn: A first-principles investigation

Science.gov (United States)

Wang, Jia-Xing; Chen, Z. B.; Gao, Y. C.

2018-05-01

In this manuscript, we have studied the electronic, magnetic, half-metallic and mechanical properties of a new Zr-based equiatomic quaternary Heusler (EQH) compound, ZrRhTiIn using first-principles calculations. The generalized gradient approximation (GGA) calculation results imply that at its equilibrium lattice constant of 6.70 Å, ZrRhTiIn is a half-metallic material (HMM) with a considerable band gap (Ebg) of 0.530 eV and a spin-filter/half-metallic band-gap (EHM) of 0.080 eV in the minority-spin channel. For ZrRhTiIn, the formation energy of -2.738 eV and the cohesive energy of 21.38 eV indicate that it is a thermodynamically stable material according to theory. The minority-spin EHM arises from the hybridization among Zr-4d, Ti-3d and Rh-4d electrons. The calculated total magnetic moment of ZrRhTiIn is 2 μB, meeting the well-known Slater-Pauling rule Mt = Zt -18. Furthermore, uniform strain and tetragonal strain were applied in this work to examine the magneto-electronic and half-metallic behaviors of the ZrRhTiIn system. Finally, we show that ZrRhTiIn is mechanically stable, ductile and anisotropic.

How Correlated is the FeSe /SrTiO3 System?

Science.gov (United States)

Mandal, Subhasish; Zhang, Peng; Ismail-Beigi, Sohrab; Haule, K.

2017-08-01

Recent observation of ˜10 times higher critical temperature in a FeSe monolayer compared with its bulk phase has drawn a great deal of attention because the electronic structure in the monolayer phase appears to be different than bulk FeSe. Using a combination of density functional theory and dynamical mean field theory, we find electronic correlations have important effects on the predicted atomic-scale geometry and the electronic structure of the monolayer FeSe on SrTiO3 . The electronic correlations are dominantly controlled by the Se-Fe-Se angle either in the bulk phase or the monolayer phase. But the angle sensitivity increases and the orbital differentiation decreases in the monolayer phase compared to the bulk phase. The correlations are more dependent on Hund's J than Hubbard U . The observed orbital selective incoherence to coherence crossover with temperature confirms the Hund's metallic nature of the monolayer FeSe. We also find electron doping by oxygen vacancies in SrTiO3 increases the correlation strength, especially in the dx y orbital by reducing the Se-Fe-Se angle.

Antimicrobial Activity of Nitric Oxide-Releasing Ti-6Al-4V Metal Oxide

Science.gov (United States)

Reger, Nina A.; Meng, Wilson S.; Gawalt, Ellen S.

2017-01-01

Titanium and titanium alloy materials are commonly used in joint replacements, due to the high strength of the materials. Pathogenic microorganisms can easily adhere to the surface of the metal implant, leading to an increased potential for implant failure. The surface of a titanium-aluminum-vanadium (Ti-6Al-4V) metal oxide implant material was functionalized to deliver an small antibacterial molecule, nitric oxide. S-nitroso-penicillamine, a S-nitrosothiol nitric oxide donor, was covalently immobilized on the metal oxide surface using self-assembled monolayers. Infrared spectroscopy was used to confirm the attachment of the S-nitrosothiol donor to the Ti-Al-4V surface. Attachment of S-nitroso-penicillamine resulted in a nitric oxide (NO) release of 89.6 ± 4.8 nmol/cm2 under physiological conditions. This low concentration of nitric oxide reduced Escherichia coli and Staphylococcus epidermidis growth by 41.5 ± 1.2% and 25.3 ± 0.6%, respectively. Combining the S-nitrosothiol releasing Ti-6Al-4V with tetracycline, a commonly-prescribed antibiotic, increased the effectiveness of the antibiotic by 35.4 ± 1.3%, which allows for lower doses of antibiotics to be used. A synergistic effect of ampicillin with S-nitroso-penicillamine-modified Ti-6Al-4V against S. epidermidis was not observed. The functionalized Ti-6Al-4V surface was not cytotoxic to mouse fibroblasts. PMID:28635681

The influence of metal interlayers on the structural and optical properties of nano-crystalline TiO 2 films

KAUST Repository

Yang, Yong

2012-03-01

TiO 2-M-TiO 2 (M = W, Co and Ag) multilayer films have been deposited on glass substrates using reactive magnetron sputtering, then annealed in air for 2 h at 500°C. The structure, surface morphology and optical properties of the films have been studied using X-ray diffraction, Raman spectroscopy, atomic force microscopy and UV-vis spectroscopy. The TiO 2-W-TiO 2 and TiO 2-Co-TiO 2 films showed crystalline phases, whereas the TiO 2-Ag-TiO 2 films remained in the amorphous state. The crystallization temperature for the TiO 2-M-TiO 2 films decreased significantly compared with pure TiO 2 film deposited on quartz. Detailed analysis of the Raman spectra suggested that the crystallization of TiO 2-M-TiO 2 films was associated with the large structural deformation imposed by the oxidation of intermediate metal layers. Moreover, the optical band gap of the films narrowed due to the appearance of impurity levels as the metal ions migrated into the TiO 2 matrix. These results indicate that the insertion of intermediate metal layers provides a feasible access to improve the structural and optical properties of anatase TiO 2 films, leading to promising applications in the field of photocatalysis. © 2011 Elsevier B.V. All rights reserved.

Contact spectroscopy on S/TI/N devices: Induced pairing on the surface of a topological insulator

Science.gov (United States)

Stehno, Martin P.; Ngabonziza, Prosper; Snelder, Marieke; Myoren, Hiroaki; Pan, Yu; de Visser, Anne; Huang, Y.; Golden, Mark S.; Brinkman, Alexander

Translating concepts of topological quantum computation into applications requires fine-tuning of parameters in the model Hamiltonians of candidate systems. Such level of control has proven difficult to achieve in devices where superconductors are used to induce pairing in topological insulator (TI) materials. While local probe experiments have indicated features of p-wave superconducting correlations in TIs (as suggested by theory), results on extended devices often remain ambiguous. We present contact spectroscopy data on superconductor/topological insulator/normal metal devices with bulk-insulating TI material and compare these with bulk conducting samples. We discuss the magnitude of the induced gap and unusual features in the conductance traces of the bulk-insulating samples that may suggest the presence of p-wave type correlations in the TI. This work is financially supported by the Dutch Foundation for Fundamental Research on Matter (FOM), the Netherlands Organization for Scientific Research (NWO), and by the European Research Council (ERC).

Theoretical investigations of the bulk modulus in the tetra-cubic transition of PbTiO3 material

Directory of Open Access Journals (Sweden)

Renan A. P. Ribeiro

2014-01-01

Full Text Available Resulting from ion displacement in a solid under pressure, piezoelectricity is an electrical polarization that can be observed in perovskite-type electronic ceramics, such as PbTiO3, which present cubic and tetragonal symmetries at different pressures. The transition between these crystalline phases is determined theoretically through the bulk modulus from the relationship between material energy and volume. However, the change in the material molecular structure is responsible for the piezoelectric effect. In this study, density functional theory calculations using the Becke 3-Parameter-Lee-Yang-Parr hybrid functional were employed to investigate the structure and properties associated with the transition state of the tetragonal-cubic phase change in PbTiO3 material.

Electrical and magnetic properties of Fe-based bulk metallic glass with minor Co and Ni addition

Energy Technology Data Exchange (ETDEWEB)

Jung, H.Y. [IFW Dresden, Institute for Complex Materials, D–01069 Dresden (Germany); Stoica, M. [IFW Dresden, Institute for Complex Materials, D–01069 Dresden (Germany); POLITEHNICA University of Timisoara, P-ta Victoriei 2, Timisoara (Romania); Yi, S. [Department of Materials Science and Metallurgical Engineering, Kyungpook National University, 702–701 Daegu (Korea, Republic of); Kim, D.H. [Center for Non-crystalline Materials, Department of Metallurgical Engineering, Yonsei University, 120–749 Seoul (Korea, Republic of); Eckert, J. [IFW Dresden, Institute for Complex Materials, D–01069 Dresden (Germany); University of Technology Dresden, Institute of Materials Science, D–01062 Dresden (Germany)

2014-09-01

The effect of minor Co and Ni alloying on soft magnetic properties and electrical resistivity of Fe{sub 75.5}C{sub 7.0}Si{sub 3.3}B{sub 5.5}P{sub 8.7} (at%) bulk metallic glass has been investigated. Within examined compositional range (Co and Ni up to 4 at%, respectively), the saturation magnetization and electrical resistivity of the alloys continuously decrease with increasing Co or Ni content, while the Curie temperature and initial permeability increase. Comparing the effect of Co and Ni additions, the alloys with Co addition have much higher Curie temperature and saturation magnetization than the alloy with Ni addition. Also, the Co-added alloys show smaller coercivity and larger permeability than the Ni-added alloys. The present results suggest that minor addition of Co can provide better effectiveness to enhance the magnetic softness of Fe-based BMGs than minor Ni addition. - Highlights: • Soft magnetic characteristics of CI-based BMGs can be enhanced with minor Co and Ni alloying. • Minor Co addition can provide better effectiveness to enhance the magnetic softness of CI-based BMG than Ni addition. • Optimum Co addition enlarges atomic packing density and randomness of amorphous structure.

A guide for validation of FE-Simulations in bulk metal forming

International Nuclear Information System (INIS)

Tekkaya, A. Erman

2005-01-01

Numerical analysis of metal forming processes is an everyday practice in industry. Forming loads, material flow, forming defects such as underfills, laps and even cracks, stresses in dies and punches, as well as product properties like new hardness distribution, dimensional accuracies and residual stresses are predicted by numerical analysis and used for technology generation. Most of the numerical analysis is done by the finite element method made available for engineers and technicians by numerous by powerful commercial software packages. These software packages act as black-boxes and usually hide the complicated numerical procedures and even their crucial parameters from the applier. Therefore, the question arises during the industrial applications: how accurate is the simulation and how can the results can be assessed? The aim of this paper is to provide a guideline to assess the results of metal forming simulations. Although some ideas are valid for any metal forming process, bulk forming is the process concern. The paper will address firstly the possible sources of error in a finite element analysis of bulk forming processes. Then, some useful elementary knowledge will be summarized. Various levels of validation such as result and ability validation and assessment will be discussed. Finally, interpretation of results will be treated. In this content also some suggestions will be given. (author)

The effect of TiB2 reinforcement on the mechanical properties of an Al-Cu-Li alloy-based metal-matrix composite

Science.gov (United States)

1991-01-01

The addition of ceramic particles to aluminum based alloys can substantially improve mechanical properties, especially Young's modulus and room and elevated temperature strengths. However, these improvements typically occur at the expense of tensile ductility. The mechanical properties are evaluated to a metal matrix composite (MMC) consisting of an ultrahigh strength aluminum lithium alloy, Weldalite (tm) 049, reinforced with TiB2 particles produced by an in situ precipitation technique called the XD (tm) process. The results are compared to the behavior of a nonreinforced Weldalite 049 variant. It is shown that both 049 and 049-TiB2 show very attractive warm temperature properties e.g., 625 MPa yield strength at 150 C after 100 h at temperature. Weldalite 049 reinforced with a nominal 4 v pct. TiB2 shows an approx. 8 pct. increase in modulus and a good combination of strength (529 MPa UTS) and ductility (6.5 pct.) in the T3 temper. And the high ductility of Weldalite 049 in the naturally aged and underaged tempers makes the alloy a good, high strength matrix for ceramic reinforcement.

Laser Shock Peening on Zr-based Bulk Metallic Glass and Its Effect on Plasticity: Experiment and Modeling

Science.gov (United States)

Cao, Yunfeng; Xie, Xie; Antonaglia, James; Winiarski, Bartlomiej; Wang, Gongyao; Shin, Yung C.; Withers, Philip J.; Dahmen, Karin A.; Liaw, Peter K.

2015-05-01

The Zr-based bulk metallic glasses (BMGs) are a new family of attractive materials with good glass-forming ability and excellent mechanical properties, such as high strength and good wear resistance, which make them candidates for structural and biomedical materials. Although the mechanical behavior of BMGs has been widely investigated, their deformation mechanisms are still poorly understood. In particular, their poor ductility significantly impedes their industrial application. In the present work, we show that the ductility of Zr-based BMGs with nearly zero plasticity is improved by a laser shock peening technique. Moreover, we map the distribution of laser-induced residual stresses via the micro-slot cutting method, and then predict them using a three-dimensional finite-element method coupled with a confined plasma model. Reasonable agreement is achieved between the experimental and modeling results. The analyses of serrated flows reveal plentiful and useful information of the underlying deformation process. Our work provides an easy and effective way to extend the ductility of intrinsically-brittle BMGs, opening up wider applications of these materials.

Zr-(Cu,Ag)-Al bulk metallic glasses

International Nuclear Information System (INIS)

Jiang, Q.K.; Wang, X.D.; Nie, X.P.; Zhang, G.Q.; Ma, H.; Fecht, H.-J.; Bendnarcik, J.; Franz, H.; Liu, Y.G.; Cao, Q.P.; Jiang, J.Z.

2008-01-01

In this paper, we report the formation of a series Zr-(Cu,Ag)-Al bulk metallic glasses (BMGs) with diameters at least 20 mm and demonstrate the formation of about 25 g amorphous metallic ingots in a wide Zr-(Cu,Ag)-Al composition range using a conventional arc-melting machine. The origin of high glass-forming ability (GFA) of the Zr-(Cu,Ag)-Al alloy system has been investigated from the structural, thermodynamic and kinetic points of view. The high GFA of the Zr-(Cu,Ag)-Al system is attributed to denser local atomic packing and the smaller difference in Gibbs free energy between amorphous and crystalline phases. The thermal, mechanical and corrosion properties, as well as elastic constants for the newly developed Zr-(Cu,Ag)-Al BMGs, are also presented. These newly developed Ni-free Zr-(Cu,Ag)-Al BMGs exhibit excellent combined properties: strong GFA, high strength, high compressive plasticity, cheap and non-toxic raw materials and biocompatible property, as compared with other BMGs, leading to their potential industrial applications

Effects of noble-metal ion implantation on corrosion inhibition and charge injection capability of surgical Ti and Ti-6Al-4V

International Nuclear Information System (INIS)

Lee, I.S.

1989-01-01

Studies are described involving effects of noble-metal ion implantation on corrosion inhibition and charge injection capabilities of surgical Ti and Ti-6Al-4V. With surgical alloys, harmful biological responses are principally due to the type and quantity of metal ions released by the corrosion process. One approach to improve long-term biological performance involves surface modifications to significantly reduce degradation rates. With regard to surface-modifications, one of the most effective methods is through ion implantation. Results are presented for ion-implanted Au, Rh, and Ir. For the static in vitro corrosion properties, the noble-metal ion implanted Ti-6Al-4V and commercially-pure (CP) Ti were investigated in non-passivating acid and passivating saline solutions. It was postulated that during the early stages of corrosion (or during a corrosion pretreatment) the implanted noble-metal would enrich at the surface and significantly reduce subsequent corrosion rates. The observed behavior for the Ir and Rh implanted materials appeared to follow the postulated mechanism, with both initial and time-dependent improvements in corrosion resistance. However, the Au implanted material yielded early benefits, but the enhanced corrosion resistance deteriorated with time. X-ray photoelectron spectroscopy (XPS) analysis indicated that the implanted Au atoms remained as pure metallic Au, while the Ir and Rh atoms were in some oxide state, which gave the good adhesion of the Ir or Rh enriched surface to the Ti substrate. For a stimulating neural electrode, the charge density should be as large as possible to provide adequate stimulation of the nervous system while allowing for miniaturization of the electrode. Activated Ir has been known as having the highest charge injection capability of any material known

A Difference in Using Atomic Layer Deposition or Physical Vapour Deposition TiN as Electrode Material in Metal-Insulator-Metal and Metal-Insulator-Silicon Capacitors

NARCIS (Netherlands)

Groenland, A.W.; Wolters, Robertus A.M.; Kovalgin, Alexeij Y.; Schmitz, Jurriaan

2011-01-01

In this work, metal-insulator-metal (MIM) and metal-insulator-silicon (MIS) capacitors are studied using titanium nitride (TiN) as the electrode material. The effect of structural defects on the electrical properties on MIS and MIM capacitors is studied for various electrode configurations. In the

Visible light active TiO2 films prepared by electron beam deposition of noble metals

International Nuclear Information System (INIS)

Hou Xinggang; Ma Jun; Liu Andong; Li Dejun; Huang Meidong; Deng Xiangyun

2010-01-01

TiO 2 films prepared by sol-gel method were modified by electron beam deposition of noble metals (Pt, Pd, and Ag). Effects of noble metals on the chemical and surface characteristics of the films were studied using XPS, TEM and UV-Vis spectroscopy techniques. Photocatalytic activity of modified TiO 2 films was evaluated by studying the degradation of methyl orange dye solution under visible light UV irradiation. The result of TEM reveals that most of the surface area of TiO 2 is covered by tiny particles of noble metals with diameter less than 1 nm. Broad red shift of UV-Visible absorption band of modified photocatalysts was observed. The catalytic degradation of methyl orange in aqueous solutions under visible light illumination demonstrates a significant enhancement of photocatalytic activity of these films compared with the un-loaded films. The photocatalytic efficiency of modified TiO 2 films by this method is affected by the concentration of impregnating solution.

Novel composite cBN-TiN coating deposition method: structure and performance in metal cutting

International Nuclear Information System (INIS)

Russell, W.C.; Malshe, A.P.; Yedave, S.N.; Brown, W.D.

2001-01-01

Cubic boron nitride coatings are under development for a variety of applications but stabilization of the pure cBN form and adhesion of films deposited by PVD and ion-based methods has been difficult. An alternative method for depositing a composite cBN-TiN film has been developed for wear related applications. The coating is deposited in a two-stage process utilizing ESC (electrostatic spray coating) and CVI (chemical vapor infiltration). Fully dense films of cBN particles evenly dispersed in a continuous TiN matrix have been developed. Testing in metal cutting has shown an increase in tool life (turning - 4340 steel) of three to seven times, depending of machining parameters, in comparison with CVD deposited TiN films. (author)

Low temperature incineration of mixed wastes using bulk metal oxide catalysts

International Nuclear Information System (INIS)

Gordon, M.J.; Gaur, S.; Kelkar, S.; Baldwin, R.M.

1996-01-01

Volume reduction of low-level mixed wastes from former nuclear weapons facilities is a significant environmental problem. Processing of these materials presents unique scientific and engineering problems due to the presence of minute quantities of radionuclides which must be contained and concentrated for later safe disposal. Low-temperature catalytic incineration is one option that has been utilized at the Rocky Flats facility for this purpose. This paper presents results of research regarding evaluation of bulk metal oxides as catalysts for low-temperature incineration of carbonaceous residues which are typical by-products of fluidized bed combustion of mixed wastes under oxygen-lean conditions. A series of 14 metal oxides were screened in a thermogravimetric analyzer, using on-line mass spectrometry for speciation of reaction product gases. Catalyst evaluation criteria focused on the thermal-redox activity of the metals using both carbon black and PVC char as surrogate waste materials. Results indicated that metal oxides which were P-type semiconductor materials were suitable as catalysts for this application. Oxides of cobalt, molybdenum, vanadium, and manganese were found to be particularly stable and active catalysts under conditions specific to this process (T<650C, low oxygen partial pressures). Bench-scale evaluation of these metal oxides with respect to stability to chlorine (HCl) attack was carried out at 550C using a TG/MS system. Cobalt oxide was found to be resistant to metal loss in a HCl/He gaseous environment while metal loss from Mo, Mn, and V-based catalysts was moderate to severe. XRD and SEM/EDX analysis of spent Co catalysts indicated the formation of non-stoichiometric cobalt chlorides. Regeneration of chlorinated cobalt was found to successfully restore the low-temperature combustion activity to that of the fresh metal oxide

Infiltrated TiC/Cu composites

International Nuclear Information System (INIS)

Frage, N.; Froumin, N.; Rubinovich, L.; Dariel, M.P.

2001-01-01

One approach for the fabrication of ceramic-metal composites is based on the pressureless impregnation of a porous ceramic preform by a molten metal. Molten Cu does not react with TiC and the wetting angle is close to 90 o . Nonetheless, molten Cu readily impregnates partially sintered TiC preforms. A model that describes the dependence of the critical contact angle for spontaneous impregnation by molten metals in partially sintered preforms on the level of densification and on the morphology of the particles was developed. For high aspect ratios of the particles forming the preform, wetting angles close to 90 o still allow impregnation by the molten metal. The results of the model were confirmed by infiltration of partially sintered TiC preforms with molten Cu and by fabrication of the TiC/Cu composites with various ceramic-to metal ratios. Decreasing of the metal content in the composite from 50 vol.% to 10 vol.% leads to a hardness increase from 250 to 1800 HV, and to the decrease of the bending strength from 960 to 280 MPa. The resistivity of these TiC/Cu composites decreases from 142 ohm cm to 25 ohm cm. (author)