Rate coefficients for the reaction of O(1D) with the atmospherically long-lived greenhouse gases NF3, SF5CF3, CHF3, C2F6, c-C4F8, n-C5F12, and n-C6F14

NASA Astrophysics Data System (ADS)

Baasandorj, M.; Hall, B. D.; Burkholder, J. B.

2012-12-01

The contribution of atmospherically persistent (long-lived) greenhouse gases to the radiative forcing of Earth has increased over the past several decades. The impact of highly fluorinated, saturated compounds, in particular perfluorinated compounds, on climate change is a concern because of their long atmospheric lifetimes, which are primarily determined by stratospheric loss processes, as well as their strong absorption in the infrared "window" region. A potentially key stratospheric loss process for these compounds is their gas-phase reaction with electronically excited oxygen atoms, O(1D). Therefore, accurate reaction rate coefficient data is desired for input to climate change models. In this work, rate coefficients, k, were measured for the reaction of O(1D) with several key long-lived greenhouse gases, namely NF3, SF5CF3, CHF3 (HFC-23), C2F6, c-C4F8, n-C5F12, and n-C6F14. Room temperature rate coefficients for the total reaction, kTot, corresponding to loss of O(1D), and reactive channel, kR, corresponding to the loss of the reactant compound, were measured for NF3 and SF5CF3 using competitive reaction and relative rate methods, respectively. kR was measured for the CHF3 reaction and improved upper-limits were determined for the perfluorinated compounds included in this study. For NF3, kTot was determined to be (2.55 ± 0.38) × 10-11 cm3 molecule-1 s-1 and kR, which was measured using CF3Cl, N2O, CF2ClCF2Cl (CFC-114), and CF3CFCl2 (CFC-114a) as reference compounds, was determined to be (2.21 ± 0.33) × 10-11 cm3 molecule-1 s-1. For SF5CF3, kTot = (3.24 ± 0.50) × 10-13 cm3 molecule-1 s-1 and kR < 5.8 × 10×14 cm3 molecule-1 s-1 were measured, where kR is a factor of three lower than the current recommendation of kTot for use in atmospheric modeling. For CHF3 kR was determined to be (2.35 ± 0.35) × 10-12 cm3 molecule-1 s-1, which corresponds to a reactive channel yield of 0.26 ± 0.04, and resolves a large discrepancy among previously reported values

Effect of surface contamination on adhesive bonding of cast pure titanium and Ti-6Al-4V alloy.

PubMed

Watanabe, I; Watanabe, E; Yoshida, K; Okabe, T

1999-03-01

There is little information regarding bond strengths of resin cements to cast titanium surfaces contaminated by investment material. This study examined the effect of surface contamination on the shear bond strength of resin cements to cast titanium and Ti-6Al-4V alloy. Two types of disks were cast from commercially pure titanium (CP-Ti) and Ti-6Al-4V alloy ingots using an argon-arc pressure casting unit and a phosphate-bonded Al2 O3 /LiAlSiO6 investment. After casting, disks were subjected to 3 surface treatments: (1) cast surface sandblasted (50 microm-sized Al2 O3 ) for 30 seconds; (2) metal surface sanded with silicon-carbide paper (600 grit) after grinding the contaminated cast surface (approximately 200 microm in thickness); and (3) metal surface sandblasted for 30 seconds after treatment 2. Surface structures were examined after each treatment with SEM and optical microscopy. Each type of disk was then bonded with 2 types of luting materials. Bonded specimens were subjected to thermocycling for up to 50,000 cycles, and shear bond strengths were determined after 0 (baseline) and 50,000 thermocycles. Results were statistically analyzed with 3-way ANOVA (P <.05). Microscopic observation of cast CP-Ti and Ti-6Al-4V exhibited noticeable structures on the cast surfaces apparently contaminated with investment material. However, there were no statistical differences (P >.05) in the bond strengths of both cements between contaminated (treatment 1) and uncontaminated surfaces (treatment 3) for both metals at baseline and after 50,000 thermocycles. The bond strength of specimens sanded with silicon-carbide paper (treatment 2) deteriorated dramatically after 50,000 thermocycles. Contamination of the cast metal surfaces by elements of the investment during casting did not affect bond strengths of the luting materials to CP-Ti and Ti-6Al-4V.

The Jak2 Inhibitor, G6, Alleviates Jak2-V617F-Mediated Myeloproliferative Neoplasia by Providing Significant Therapeutic Efficacy to the Bone Marrow1

PubMed Central

Kirabo, Annet; Park, Sung O; Majumder, Anurima; Gali, Meghanath; Reinhard, Mary K; Wamsley, Heather L; Zhao, Zhizhuang Joe; Cogle, Christopher R; Bisht, Kirpal S; Keserü, György M; Sayeski, Peter P

2011-01-01

We recently developed a Janus kinase 2 (Jak2) small-molecule inhibitor called G6 and found that it inhibits Jak2-V617F-mediated pathologic cell growth in vitro, ex vivo, and in vivo. However, its ability to inhibit Jak2-V617F-mediated myeloproliferative neoplasia, with particular emphasis in the bone marrow, has not previously been examined. Here, we investigated the efficacy of G6 in a transgenic mouse model of Jak2-V617F-mediated myeloproliferative neoplasia. We found that G6 provided therapeutic benefit to the peripheral blood as determined by elimination of leukocytosis, thrombocytosis, and erythrocytosis. G6 normalized the pathologically high plasma concentrations of interleukin 6 (IL-6). In the liver, G6 eliminated Jak2-V617F-driven extramedullary hematopoiesis. With respect to the spleen, G6 significantly reduced both the splenomegaly and megakaryocytic hyperplasia. In the critically important bone marrow, G6 normalized the pathologically high levels of phospho-Jak2 and phospho-signal transducer and activator of transcription 5 (STAT5). It significantly reduced the megakaryocytic hyperplasia in the marrow and completely normalized the M/E ratio. Most importantly, G6 selectively reduced the mutant Jak2 burden by 67%on average, with virtual elimination of mutant Jak2 cells in one third of all treated mice. Lastly, clonogenic assays using marrow stem cells from the myeloproliferative neoplasm mice revealed a time-dependent elimination of the clonogenic growth potential of these cells by G6. Collectively, these data indicate that G6 exhibits exceptional efficacy in the peripheral blood, liver, spleen, and, most importantly, in the bone marrow, thereby raising the possibility that this compound may alter the natural history of Jak2-V617F-mediated myeloproliferative neoplasia. PMID:22131881

The Effect of Coatings on the Wear Behavior of Ti6Al4V Alloy Used in Biomedical Applications

NASA Astrophysics Data System (ADS)

Danışman, Ş.; Odabas, D.; Teber, M.

2018-01-01

The properties expected from implant materials are biocompatibility, long service life and wear resistance. The wear resistance of the implant materials varies according to the type of implant, usage area and the movement. The ability of implant material to be more compatible with biological tissues and to increase the useful life depends on the surface properties. Today many different kind of surface modification techniques are applying on medical and dental implant surfaces to improve surface specifications and wear resistance. In this study TiN, TiAlN, TiCN coatings were applied on Ti6Al4V alloy used as implant material by reactive magnetron sputtering method. The wear resistances of uncoated Ti6Al4V alloy and TiN, TiAlN, TiCN coatings were investigated at room temperature under dry conditions. The wear resistance at different load and different sliding rates were compared using an wear tester. The wear losses, wear track widths and friction coefficients of coated and uncoated Ti6Al4V alloys are taken into account for comparison. The results show that a significant improvement in wear resistance of the alloy with the coating is achieved and TiN-coated Ti6Al4V alloy has the highest wear resistance.

JAK2 V617F, MPL W515L and JAK2 Exon 12 Mutations in Chinese Patients with Primary Myelofibrosis.

PubMed

Xia, Jun; Lu, Mi-Ze; Jiang, Yuan-Qiang; Yang, Guo-Hua; Zhuang, Yun; Sun, Hong-Li; Shen, Yun-Feng

2012-03-01

JAK2 V617F, MPL W515L and JAK2 exon 12 mutations are novel acquired mutations that induce constitutive cytokine-independent activation of the JAK-STAT pathway in myeloproliferative disorders (MPD). The discovery of these mutations provides novel mechanism for activation of signal transduction in hematopoietic malignancies. This research was to investigate their prevalence in Chinese patients with primary myelofibrosis (PMF). We introduced allele-specific PCR (AS-PCR) combined with sequence analysis to simultaneously screen JAK2 V617F, MPL W515L and JAK2 exon 12 mutations in 30 patients with PMF. Fifteen PMF patients (50.0%) carried JAK2 V617F mutation, and only two JAK2 V617F-negative patients (6.7%) harbored MPL W515L mutation. None had JAK2 exon 12 mutations. Furthermore, these three mutations were not detected in 50 healthy controls. MPL W515L and JAK2 V617F mutations existed in PMF patients but JAK2 exon 12 mutations not. JAK2 V617F and MPL W515L and mutations might contribute to the primary molecular pathogenesis in patients with PMF.

The Stilbenoid Tyrosine Kinase Inhibitor, G6, Suppresses Jak2-V617F-mediated Human Pathological Cell Growth in Vitro and in Vivo*

PubMed Central

Kirabo, Annet; Embury, Jennifer; Kiss, Róbert; Polgár, Tímea; Gali, Meghanath; Majumder, Anurima; Bisht, Kirpal S.; Cogle, Christopher R.; Keserű, György M.; Sayeski, Peter P.

2011-01-01

Using structure-based virtual screening, we previously identified a novel stilbenoid inhibitor of Jak2 tyrosine kinase named G6. Here, we hypothesized that G6 suppresses Jak2-V617F-mediated human pathological cell growth in vitro and in vivo. We found that G6 inhibited proliferation of the Jak2-V617F expressing human erythroleukemia (HEL) cell line by promoting marked cell cycle arrest and inducing apoptosis. The G6-dependent increase in apoptosis levels was concomitant with increased caspase 3/7 activity and cleavage of PARP. G6 also selectively inhibited phosphorylation of STAT5, a downstream signaling target of Jak2. Using a mouse model of Jak2-V617F-mediated hyperplasia, we found that G6 significantly decreased the percentage of blast cells in the peripheral blood, reduced splenomegaly, and corrected a pathologically low myeloid to erythroid ratio in the bone marrow by eliminating HEL cell engraftment in this tissue. In addition, drug efficacy correlated with the presence of G6 in the plasma, marrow, and spleen. Collectively, these data demonstrate that the stilbenoid compound, G6, suppresses Jak2-V617F-mediated aberrant cell growth. As such, G6 may be a potential therapeutic lead candidate against Jak2-mediated, human disease. PMID:21127060

Structures of M2(SO2)6B12F12 (M = Ag or K) and Ag2(H2O)4B12F12: Comparison of the Coordination of SO2 versus H2O and of B12F122- versus Other Weakly Coordinating Anions to Metal Ions in the Solid State.

PubMed

Malischewski, Moritz; Peryshkov, Dmitry V; Bukovsky, Eric V; Seppelt, Konrad; Strauss, Steven H

2016-12-05

The structures of three solvated monovalent cation salts of the superweak anion B 12 F 12 2- (Y 2- ), K 2 (SO 2 ) 6 Y, Ag 2 (SO 2 ) 6 Y, and Ag 2 (H 2 O) 4 Y, are reported and discussed with respect to previously reported structures of Ag + and K + with other weakly coordinating anions. The structures of K 2 (SO 2 ) 6 Y and Ag 2 (SO 2 ) 6 Y are isomorphous and are based on expanded cubic close-packed arrays of Y 2- anions with M(OSO) 6 + complexes centered in the trigonal holes of one expanded close-packed layer of B 12 centroids (⊙). The K + and Ag + ions have virtually identical bicapped trigonal prism MO 6 F 2 coordination spheres, with M-O distances of 2.735(1)-3.032(2) Å for the potassium salt and 2.526(5)-2.790(5) Å for the silver salt. Each M(OSO) 6 + complex is connected to three other cationic complexes through their six μ-SO 2 -κ 1 O,κ 2 O' ligands. The structure of Ag 2 (H 2 O) 4 Y is unique [different from that of K 2 (H 2 O) 4 Y]. Planes of close-packed arrays of anions are offset from neighboring planes along only one of the linear ⊙···⊙···⊙ directions of the close-packed arrays, with [Ag(μ-H 2 O) 2 Ag(μ-H 2 O) 2 )] ∞ infinite chains between the planes of anions. There are two nearly identical AgO 4 F 2 coordination spheres, with Ag-O distances of 2.371(5)-2.524(5) Å and Ag-F distances of 2.734(4)-2.751(4) Å. This is only the second structurally characterized compound with four H 2 O molecules coordinated to a Ag + ion in the solid state. Comparisons with crystalline H 2 O and SO 2 solvates of other Ag + and K + salts of weakly coordinating anions show that (i) N[(SO 2 ) 2 (1,2-C 6 H 4 )] - , BF 4 - , SbF 6 - , and Al(OC(CF 3 ) 3 ) 4 - coordinate much more strongly to Ag + than does Y 2- , (ii) SnF 6 2- coordinates somewhat more strongly to K + than does Y 2- , and (iii) B 12 Cl 12 2- coordinates to K + about the same as, if not slightly weaker than, Y 2- .

Microstructure and wear resistance of Ti-Cu-N composite coating prepared via laser cladding/laser nitriding technology on Ti-6Al-4V alloy

NASA Astrophysics Data System (ADS)

Yang, Yuling; Cao, Shiyin; Zhang, Shuai; Xu, Chuan; Qin, Gaowu

2017-07-01

Ti-Cu-N coatings with three different Cu contents on Ti-6Al-4V alloy (TC4) were obtained via laser cladding together with laser nitriding (LC/LN) technology. Phase constituents, microstructure, microhardness, and wear resistance of the coatings were investigated. The evolution of the coefficients of friction for the three coatings was measured under dry sliding conditions as a function of the revolutions until the coating failure. The results show that the coatings are mainly composed of TiN, CuTi3 and some TiO6 phases dispersed in the matrix. A good metallurgical bonding between the coating and substrate has been successfully obtained. The prepared Ti-Cu-N composite coatings almost doubly enhance the microhardness of the TC4 alloy and reduce the friction down to 1/4-1/2 of the TC4 alloy, and thus significantly improve the wear resistance. The coefficient of friction depends on the Cu content in the coating.

Effect of the Heat-Treated Ti6Al4V Alloy on the Fibroblastic Cell Response

PubMed Central

Chávez-Díaz, Mercedes Paulina; Escudero-Rincón, María Lorenza; Arce-Estrada, Elsa Miriam; Cabrera-Sierra, Román

2017-01-01

Two heat treatments were carried out below (Ti6Al4V800) and above (Ti6Al4V1050) Ti6Al4V beta-phase transformation temperature (980 °C), with the purpose of studying the effect of microstructure on the adhesion and proliferation of fibroblast cells, as well as their electrochemical behavior. These alloys were seeded with 10,000 L929 fibroblast cells and immersed for 7 days in the cell culture at 37 °C, pH 7.40, 5% CO2 and 100% relative humidity. Cell adhesion was characterized by Scanning Electron Microscopy (SEM) and Electrochemical Impedance Spectroscopy (EIS) techniques. Polygonal and elongated cell morphology was observed independent of Ti6Al4V microstructure. Besides, C, O, P, S, Na and Cl signals were detected by Energy Dispersive X-Ray Spectroscopy (EDX), associated with the synthesis of organic compounds excreted by the cells, including protein adsorption from the medium. In certain areas on Ti6Al4V and Ti6Al4V800 alloys, cells were agglomerated (island type), likely related to the globular microstructure; meanwhile, larger cellular coverage is shown for Ti6Al4V1050 alloy, forming more than one layer on the surface, where only Ca was recorded. Impedance diagrams showed a similar passive behavior for the different Ti6Al4V alloys, mainly due to TiO2 overlaying the contribution of the organic compounds excreted by fibroblast cells. PMID:29301205

Electrochemical corrosion, wear and cell behavior of ZrO2/TiO2 alloyed layer on Ti-6Al-4V.

PubMed

Li, Jianfang; He, Xiaojing; Zhang, Guannan; Hang, Ruiqiang; Huang, Xiaobo; Tang, Bin; Zhang, Xiangyu

2018-06-01

Ti-6Al-4V (TC4) has received increasing attention as biomaterial but also raised concerns about the long-term safety of releasing of metal ions and poor wear resistance. In this work, an ZrO 2 /TiO 2 alloyed layer was prepared on TC4 by plasma surface alloying with Zr and subsequently annealed in the air for improved corrosion and wear resistant. To assess the corrosion performance of the alloyed layer, the specimens were measured by open circuit potential, electrochemical impedance spectroscopy and potentiodynamic polarization in simulated body fluid solution. The result shows that the ZrO 2 /TiO 2 alloyed layer exhibits strikingly high polarization resistance, wide passive region and very low current density, indicating the excellent corrosion resistance. The layer also displays significant improvement of wear resistance. Furthermore, the alloyed layer restricts cell adhesion and spreading. We infer that the ZrO 2 /TiO 2 alloyed layer might be potentially useful implanted devices such as biosensors, bioelectronics or drug delivery devices. Copyright © 2018 Elsevier B.V. All rights reserved.

Preliminary study on the corrosion resistance, antibacterial activity and cytotoxicity of selective-laser-melted Ti6Al4V-xCu alloys.

PubMed

Guo, Sai; Lu, Yanjin; Wu, Songquan; Liu, Lingling; He, Mengjiao; Zhao, Chaoqian; Gan, Yiliang; Lin, Junjie; Luo, Jiasi; Xu, Xiongcheng; Lin, Jinxin

2017-03-01

In this study, a series of Cu-bearing Ti6Al4V-xCu (x=0, 2, 4, 6wt%) alloys (shorten by Ti6Al4V, 2C, 4C, and 6C, respectively.) with antibacterial function were successfully fabricated by selective laser melting (SLM) technology with mixed spherical powders of Cu and Ti6Al4V for the first time. In order to systematically investigate the effects of Cu content on the microstructure, phase constitution, corrosion resistance, antibacterial properties and cytotoxicity of SLMed Ti6Al4V-xCu alloys, experiments including XRD, SEM-EDS, electrochemical measurements, antibacterial tests and cytotoxicity tests were conducted with comparison to SLMed Ti6Al4V alloy (Ti6Al4V). Microstructural observations revealed that Cu had completely fused into the Ti6Al4V alloy, and presented in the form of Ti 2 Cu phase at ambient temperature. With Cu content increase, the density of the alloy gradually decreased, and micropores were obviously found in the alloy. Electrochemical measurements showed that corrosion resistance of Cu-bearing alloys were stronger than Cu-free alloy. Antibacterial tests demonstrated that 4C and 6C alloys presented strong and stable antibacterial property against Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) compared to the Ti6Al4V and 2C alloy. In addition, similar to the Ti6Al4V alloy, the Cu-bearing alloys also exerted good cytocompatibility to the Bone Marrow Stromal Cells (BMSCs) from Sprague Dawley (SD) rats. Based on those results, the preliminary study verified that it was feasible to fabricated antibacterial Ti6Al4V-xCu alloys direct by SLM processing mixed commercial Ti6Al4V and Cu powder. Copyright © 2016 Elsevier B.V. All rights reserved.

An empirical-statistical model for laser cladding of Ti-6Al-4V powder on Ti-6Al-4V substrate

NASA Astrophysics Data System (ADS)

Nabhani, Mohammad; Razavi, Reza Shoja; Barekat, Masoud

2018-03-01

In this article, Ti-6Al-4V powder alloy was directly deposited on Ti-6Al-4V substrate using laser cladding process. In this process, some key parameters such as laser power (P), laser scanning rate (V) and powder feeding rate (F) play important roles. Using linear regression analysis, this paper develops the empirical-statistical relation between these key parameters and geometrical characteristics of single clad tracks (i.e. clad height, clad width, penetration depth, wetting angle, and dilution) as a combined parameter (PαVβFγ). The results indicated that the clad width linearly depended on PV-1/3 and powder feeding rate had no effect on it. The dilution controlled by a combined parameter as VF-1/2 and laser power was a dispensable factor. However, laser power was the dominant factor for the clad height, penetration depth, and wetting angle so that they were proportional to PV-1F1/4, PVF-1/8, and P3/4V-1F-1/4, respectively. Based on the results of correlation coefficient (R > 0.9) and analysis of residuals, it was confirmed that these empirical-statistical relations were in good agreement with the measured values of single clad tracks. Finally, these relations led to the design of a processing map that can predict the geometrical characteristics of the single clad tracks based on the key parameters.

40 CFR 721.10559 - Morpholine, 4-C6-12 acyl derivs.

Code of Federal Regulations, 2014 CFR

2014-07-01

... subject to reporting. (1) The chemical substance identified as morpholine, 4-C6-12 acyl derivs. (PMN P-06...), (d), (e)(concentration set at 0.1 percent), (f), (g)(1)(systemic effects), (g)(2)(i), and (g)(2)(v...) through (h) are applicable to manufacturers, importers, and processors of this substance. (2) Limitations...

40 CFR 721.10559 - Morpholine, 4-C6-12 acyl derivs.

Code of Federal Regulations, 2013 CFR

2013-07-01

... subject to reporting. (1) The chemical substance identified as morpholine, 4-C6-12 acyl derivs. (PMN P-06...), (d), (e)(concentration set at 0.1 percent), (f), (g)(1)(systemic effects), (g)(2)(i), and (g)(2)(v...) through (h) are applicable to manufacturers, importers, and processors of this substance. (2) Limitations...

Fit of cast commercially pure titanium and Ti-6Al-4V alloy crowns before and after marginal refinement by electrical discharge machining.

PubMed

Contreras, Edwin Fernando Ruiz; Henriques, Guilherme Elias Pessanha; Giolo, Suely Ruiz; Nobilo, Mauro Antonio Arruda

2002-11-01

Titanium has been suggested as a replacement for alloys currently used in single-tooth restorations and fixed partial dentures. However, difficulties in casting have resulted in incomplete margins and discrepancies in marginal fit. This study evaluated and compared the marginal fit of crowns fabricated from a commercially pure titanium (CP Ti) and from Ti-6Al-4V alloy with crowns fabricated from a Pd-Ag alloy that served as a control. Evaluations were performed before and after marginal refinement by electrical discharge machining (EDM). Forty-five bovine teeth were prepared to receive complete cast crowns. Stone and copper-plated dies were obtained from impressions. Fifteen crowns were cast with each alloy (CP Ti, Ti-6Al-4V, and Pd-Ag). Marginal fit measurements (in micrometers) were recorded at 4 reference points on each casting with a traveling microscope. Marginal refinement with EDM was conducted on the titanium-based crowns, and measurements were repeated. Data were analyzed with the Kruskal-Wallis test, paired t test, and independent t test at a 1% probability level. The Kruskal-Wallis test showed significant differences among mean values of marginal fit for the as-cast CP Ti crowns (mean [SD], 83.9 [26.1] microm) and the other groups: Ti-6Al-4V (50.8 [17.2] microm) and Pd-Ag (45.2 [10.4] microm). After EDM marginal refinement, significant differences were detected among the Ti-6Al-4V crowns (24.5 [10.9] microm) and the other 2 groups: CP Ti (50.6 [20.0] microm) and Pd-Ag (not modified by EDM). Paired t test results indicated that marginal refinement with EDM effectively improved the fit of CP Ti crowns (from 83.9 to 50.6 microm) and Ti-6Al-4V crowns (from 50.8 to 24.5 microm). However, the difference in improvement between the two groups was not significant by t test. Within the limitations of this study, despite the superior results for Ti-6Al-4V, both groups of titanium-based crowns had clinically acceptable marginal fits. After EDM marginal refinement

Bottom-up substitution assembly of AuF4-n0,-+nPO3 (n = 1-4): a theoretical study of novel oxyfluoride hyperhalogen molecules and anions AuF4-n(PO3)n0,-

NASA Astrophysics Data System (ADS)

Yang, Yi-fan; Cui, Zhong-hua; Ding, Yi-hong

2014-06-01

Compounds with high electron affinity, i.e. superhalogens, have continued to attract chemists' attention, due to their potential importance in fundamental chemistry and materials science. It has now proven very effective to build up novel superhalogens with multi-positively charged centres, which are usually called 'hyperhalogens'. Herein, using AuF4- and PO3 as the model building blocks, we made the first attempt to design the Au,P-based hyperhalogen anions AuF4-n(PO3)n- (n = 1-4) at the B3LYP/6-311+G(d)&SDD and CCSD(T)/6-311+G(d)&SDD (single-point) levels (6-311+G(d) for O, F, P and SDD for Au). Notably, for all the considered Au,P systems, the ground state bears a dioxo-bonded structure with n ≤ 3, which is significantly more stable than the usually presumed mono-oxo-bonded one. Moreover, the clustering of the -PO3 moieties becomes energetically favoured for n ≥ 3. The ground states of AuP4O120,- are the first reported cage-like oxide hyperhalogens. Thus, the -PO3 moiety cannot be retained during the 'bottom-up' assembly. The vertical detachment energy (VDE) value of the most stable AuF4-n(PO3)n- (n = 1-4) ranges from 7.16 to 8.20 eV, higher than the VDE values of the corresponding building blocks AuF4- (7.08 eV) and PO3- (4.69 eV). The adiabatic detachment energy values of these four hyperhalogens exceed 6.00 eV. Possible generation routes for AuF4-n(PO3)n- (n = 1-4) were discussed. The presently designed oxyfluorides not only enriches the family of hyperhalogens, but also demonstrates the great importance of considering the structural transformation during the superhalogen → hyperhalogen design such as for the present Au-P based systems.

Dehydrogenation reactions of cyclic C(2)B(2)N(2)H(12) and C(4)BNH(12) isomers.

PubMed

Matus, Myrna H; Liu, Shih-Yuan; Dixon, David A

2010-02-25

The energetics for different dehydrogenation pathways of C(2)B(2)N(2)H(12) and C(4)BNH(12) cycles were calculated at the B3LYP/DGDZVP2 and G3(MP2) levels with additional calculations at the CCSD(T)/complete basis set level. The heats of formation of the different isomers were calculated from the G3(MP2) relative energies and the heats of formation of the most stable isomers of c-C(2)B(2)N(2)H(6), c-C(2)B(2)N(2)H(12), and c-C(4)BNH(12) at the CCSD(T)/CBS including additional corrections together with the previously reported value for c-C(4)BNH(6). Different isomers were analyzed for c-C(2)B(2)N(2)H(x) and c-C(4)BNH(x) (x = 6 and 12), and the most stable cyclic structures were those with C-C-B-N-B-N and C-C-C-C-B-N sequences, respectively. The energetics for the stepwise loss of three H(2) were predicted, and the most feasible thermodynamic pathways were found. Dehydrogenation of the lowest energy c-C(2)B(2)N(2)H(12) isomer (6-H(12)) is almost thermoneutral with DeltaH(3dehydro) = 3.4 kcal/mol at the CCSD(T)/CBS level and -0.6 kcal/mol at the G3(MP2) level at 298 K. Dehydrogenation of the lowest energy c-C(4)BNH(12) isomer (7-H(12)) is endothermic with DeltaH(3dehydro) = 27.9 kcal/mol at the CCSD(T)/CBS level and 23.5 kcal/mol at the G3(MP2) level at 298 K. Dehydrogenation across the B-N bond is more favorable as opposed to dehydrogenation across the B-C, N-C, and C-C bonds. Resonance stabilization energies in relation to that of benzene are reported as are NICS NMR chemical shifts for correlating with the potential aromatic character of the rings.

Laser Cladding of Ti-6Al-4V Alloy with Ti-Al2O3 Coating for Biomedical Applications

NASA Astrophysics Data System (ADS)

Mthisi, A.; Popoola, A. P. I.; Adebiyi, D. I.; Popoola, O. M.

2018-05-01

The indispensable properties of Ti-6Al-4V alloy coupled with poor tribological properties and delayed bioactivity make it a subject of interest to explore in biomedical application. A quite number of numerous coatings have been employed on titanium alloys, with aim to overcome the poor properties exhibited by this alloy. In this work, the possibility of laser cladding different ad-mixed powders (Ti - 5 wt.% Al2O3 and Ti - 8wt.% Al2O3) on Ti-6Al-4V at various laser scan speed (0.6 and 0.8 m/min) were investigated. The microstructure, phase constituents and corrosion of the resultant coatings were characterized by scanning electron microscope (SEM), Optical microscope, X-Ray diffractometer (XRD) and potentiostat respectively. The electrochemical behaviour of the produced coatings was studied in a simulated body fluid (Hanks solution). The microstructural results show that a defect free coating is achieved at low scan speed and ad-mixed of Ti-5 wt. % Al2O3. Cladding of Ti - Al2O3 improved the corrosion resistance of Ti-6Al-4V alloy regardless of varying neither scan speed nor ad-mixed percentage. However, Ti-5 wt.% Al2O3 coating produced at low scan speed revealed the highest corrosion resistance among the coatings due to better quality coating layer. Henceforth, this coating may be suitable for biomedical applications.

Synthesis of Ti-6Al-4V alloy with nano-TiN microstructure via spark plasma sintering technique

NASA Astrophysics Data System (ADS)

E Falodun, O.; Obadele, B. A.; Oke, S. R.; E Maja, M.; Olubambi, P. A.

2017-12-01

The effect of nano-TiN dispersion strengthened Ti-6Al-4V via spark plasma sintering method has been investigated. Ti-6Al-4V with 4 vol. percent of nano-TiN were mixed in a Turbula shaker mixer for 8 h at a speed of 49 rpm and the admixed powders were sintered at sintering temperature range of 1000 - 1100 °C, holding time of 10-30 mins, heating rate of 100 °C/min under an applied pressure of 50 MPa. The morphology of the as-received and sintered compacts was examined by scanning electron microscopy (SEM) equipped with energy dispersive X-ray spectroscopy (EDS) and phase analysis was done by X-ray diffractometry (XRD). The sintered compacts without nano-TiN reveal lamellar structure while reinforced Ti-6Al-4V with nano-TiN shows a bimodal structure and titanium nitride has a great influence on a grain growth at high temperature. Furthermore, the microstructural formation mechanism was investigated. With the addition of the content of Ti-6Al-4V with 4 vol.% of nano-TiN, the micro-hardness also improved and this was due to homogenous distribution of TiN in Ti-6Al-4V matrix.

Metal-Arc Welded Ti-6Al-4V, Ti-4Al-4V, and Ti-5Al-2 and 1/2 SN Titanium Alloys

DTIC Science & Technology

1959-05-01

x . 7 8 8 - x 2 . 1 2 i n c h ) V n o t c h Charpy i m p a c t spec imen . MATERIALS COHN* .25 . 2 3 The m a t e r i a l s u s e d d...i e d V n o t c h Charpy i m p a c t spec imen i n a s t a n d a r d i m p a c t machine w i th anvi l s modified so t h a t the center...of percussion of the pendulum coincided with the center of the impact specimen, This FIGURE 3: SUBSIZE T E N S I L E SPECIMEN FIGURE 4

Bioactivity of Ti-6Al-4V alloy implants treated with ibandronate after the formation of the nanotube TiO2 layer.

PubMed

Moon, So-Hee; Lee, Seung-Jae; Park, Il-Song; Lee, Min-Ho; Soh, Yun-Jo; Bae, Tae-Sung; Kim, Hyung-Seop

2012-11-01

Nanostructure surface of titanium implants treated with anodic oxidation, heat, and bisphosphonates, has been introduced to improve osseointegration of the implants. However, no information could be found about the efficiency of these approaches on Ti-6Al-4V alloy surfaces. This study examined the drug loading capacity of anodized nanotubular Ti-6Al-4V alloy surfaces in vitro as well as the bone response to surface immobilized bisphosphonates (BPs) on anodized nanotubular Ti-6Al-4V alloy surface in tibiae of rats. Ti-6Al-4V alloy titanium was divided into two groups: (1) control group (nontreated); (2) test group (anodized, heat-, and bisphosphonate-treated group). In vitro, amount of the drug released from the both groups' specimens was examined; all samples were 1 × 2 cm in size. In vivo, the 10 implants were placed inside of tibias of five rats. After 4 weeks, the bone response of the implants was evaluated using a removal torque test, and measuring bone contact and bone area. In addition, the surfaces of the extracted implants were observed by FE-SEM and EDS. In vitro, the drug loading capacity of the Ti-6Al-4V alloy surfaces was enhanced by anodizing surface modification. The values of the removal torque, bone contact, and bone area were significantly higher in the test group (p < 0.05). Furthermore, according to the EDS analysis, the amounts of Ca and P on the surface of the extracted implants were higher in the test group. Within the limits of this experiment, results of this research demonstrated that bisphosphonate-treated Ti-6Al-4V alloy implants with nanotubular surfaces have positive effects in bone-to-implant contact. Copyright © 2012 Wiley Periodicals, Inc.

Property Investigation of Laser Cladded, Laser Melted and Electron Beam Melted Ti-Al6-V4

DTIC Science & Technology

2006-05-01

UNCLASSIFIED/UNLIMITED UNCLASSIFIED/UNLIMITED Figure 3: Examples of electron beam melted net shape parts; powder bed [3]. 1.4 Laser Cladding ...description, www.arcam.com. [4] K.-H. Hermann, S. Orban, S. Nowotny, Laser Cladding of Titanium Alloy Ti6242 to Restore Damaged Blades, Proceedings...Property Investigation of Laser Cladded , Laser Melted and Electron Beam Melted Ti-Al6-V4 Johannes Vlcek EADS Deutschland GmbH Corporate Research

Electron-spin-resonance studies of 12CH3F + , 13CH3F + , and 12CH2DF + in neon matrices at 4 K: Comparison with theoretical calculations

NASA Astrophysics Data System (ADS)

Knight, Lon B., Jr.; Gregory, Brian W.; Hill, Devon W.; Arrington, C. A.; Momose, Takamasa; Shida, Tadamasa

1991-01-01

Various isotopic forms of the methyl fluoride cation 12CH3F+, 13CH3F+, and 12CH2DF+ have been generated by photoionization at 16.8 eV and separately by electron bombardment at 50 eV. The first electron-spin-resonance (ESR) results are reported for this radical cation which was isolated in neon matrices at 4 K. The measured A tensors or nuclear hyperfine parameters were compared with the results obtained from various computational approaches. Surprising observations were the large amounts of spin density on the methyl group, especially the hydrogen atoms, and the extreme differences in the deuterated spectra compared to the nondeuterated case. The presence of a single D atom apparently acts to prevent dynamic Jahn-Teller averaging which makes the methyl hydrogens equivalent on the ESR time scale. Such a dramatic Jahn-Teller effect has been previously observed for the similar methane cations CH+4 and CH2D+2. The magnetic parameters for CH2DF+ in neon at 4 K are gX=2.0032(5), gY=2.0106(8), and gZ=2.0120(5); for H: AX = 483(1), AY=476(1), and AZ=483(1) MHz; for D: ‖AX‖=5.0(3), ‖AY‖<3, and ‖AZ‖=7.1(3) MHz; for 19F : AX=965(1), AY=-130(2), and AZ=-166(1) MHz. For CH3F+, the g tensor and 19F A tensor were similar to those above but the H atoms were equivalent with values of AX=317(1), AY=323(2), and AZ=312 MHz.

Hydrothermal synthesis of (C6N2H14)2(UVI2UIVO4F12), a mixed-valent one-dimensional uranium oxyfluoride.

PubMed

Allen, S; Barlow, S; Halasyamani, P S; Mosselmans, J F; O'Hare, D; Walker, S M; Walton, R I

2000-08-21

A new hybrid organic-inorganic mixed-valent uranium oxyfluoride, (C6N2H14)2(U3O4F12), UFO-17, has been synthesized under hydrothermal conditions using uranium dioxide as the uranium source, hydrofluoric acid as mineralizer, and 1,4-diazabicyclo[2.2.2]octane as template. The single-crystal X-ray structure was determined. Crystals of UFO-17 belonged to the orthorhombic space group Cmcm (no. 63), with a = 14.2660(15) A, b = 24.5130(10) A, c = 7.201(2) A, and Z = 4. The structure reveals parallel uranium-containing chains of two types: one type is composed of edge-sharing UO2F5 units; the other has a backbone of edge-sharing UF8 units, each sharing an edge with a pendant UO2F5 unit. Bond-valence calculations suggest the UF8 groups contain UIV, while the UO2F5 groups contain UVI. EXAFS data give results consistent with the single-crystal X-ray structure determination, while comparison of the uranium LIII-edge XANES of UFO-17 with that of related UIV and UVI compounds supports the oxidation-state assignment. Variable-temperature magnetic susceptibility measurements on UFO-17 and a range of related hybrid organic-inorganic uranium(IV) and uranium(VI) fluorides and oxyfluorides further support the formulation of UFO-17 as a mixed-valent UIV/UVI compound.

Measurement of the 115In(n,γ)116 m In reaction cross-section at the neutron energies of 1.12, 2.12, 3.12 and 4.12 MeV

NASA Astrophysics Data System (ADS)

Lawriniang, Bioletty Mary; Badwar, Sylvia; Ghosh, Reetuparna; Jyrwa, Betylda; Vansola, Vibha; Naik, Haladhara; Goswami, Ashok; Naik, Yeshwant; Datrik, Chandra Shekhar; Gupta, Amit Kumar; Singh, Vijay Pal; Pol, Sudir Shibaji; Subramanyam, Nagaraju Balabenkata; Agarwal, Arun; Singh, Pitambar

2015-08-01

The 115In(n,γ)116 m In reaction cross section at neutron energies of 1.12, 2.12, 3.12 and 4.12 MeV was determined by using an activation and off-line γ-ray spectrometric technique. The monoenergetic neutron energies of 1.12 - 4.12 MeV were generated from the 7Li(p,n) reaction by using proton beam with energies of 3 and 4 MeV from the folded tandem ion beam accelerator (FOTIA) at Bhabha Atomic Research Centre (BARC) and with energies of 5 and 6 MeV from the Pelletron facility at Tata Institute of Fundamental Research (TIFR), Mumbai. The 197Au(n,γ)198Au reaction cross-section was used as the neutron flux monitor.The 115In(n,γ)116 m In reaction cross section at neutron energies of 1.12, 2.12, 3.12 and 4.12 MeV was determined by using an activation and off-line γ-ray spectrometric technique. The monoenergetic neutron energies of 1.12 - 4.12 MeV were generated from the 7Li(p,n) reaction by using proton beam with energies of 3 and 4 MeV from the folded tandem ion beam accelerator (FOTIA) at Bhabha Atomic Research Centre (BARC) and with energies of 5 and 6 MeV from the Pelletron facility at Tata Institute of Fundamental Research (TIFR), Mumbai. The 197Au(n,γ)198 Au reaction cross-section was used as the neutron flux monitor. The 115In(n,γ)116 m In reaction cross-sections at neutron energies of 1.12 - 4.12 MeV were compared with the literature data and were found to be in good agreement with one set of data, but not with others. The 115In(n,γ)116 m In cross-section was also calculated theoretically by using the computer code TALYS 1.6 and was found to be slightly lower than the experimental data from the present work and the literature.)198Au reaction cross-section was used as the neutron flux monitor. The 115In(n,γ)116 m In reaction cross-sections at neutron energies of 1.12 - 4.12 MeV were compared with the literature data and were found to be in good agreement with one set of data, but not with others. The 115In(n,γ)116 m In cross-section was also calculated

Effect of plasma welding parameters on the flexural strength of Ti-6Al-4V alloy.

PubMed

Lyra e Silva, João Paulo; Fernandes Neto, Alfredo Júlio; Raposo, Luís Henrique Araújo; Novais, Veridiana Resende; de Araujo, Cleudmar Amaral; Cavalcante, Luisa de Andrade Lima; Simamoto Júnior, Paulo Cezar

2012-01-01

The aim of this study was to assess the effect of different plasma arc welding parameters on the flexural strength of titanium alloy beams (Ti-6Al-4V). Forty Ti-6Al-4V and 10 NiCr alloy beam specimens (40 mm long and 3.18 mm diameter) were prepared and divided into 5 groups (n=10). The titanium alloy beams for the control group were not sectioned or subjected to welding. Groups PL10, PL12, and PL14 contained titanium beams sectioned and welded at current 3 A for 10, 12 or 14 ms, respectively. Group NCB consisted of NiCr alloy beams welded using conventional torch brazing. After, the beams were subjected to a three-point bending test and the values obtained were analyzed to assess the flexural strength (MPa). Statistical analysis was carried out by one-way ANOVA and Tukey's HSD test at 0.05 confidence level. Significant difference was verified among the evaluated groups (p<0.001), with higher flexural strength for the control group (p<0.05). No significant differences was observed among the plasma welded groups (p>0.05). The NCB group showed the lowest flexural strength, although it was statistically similar to the PL 14 group (p>0.05). The weld depth penetration was not significantly different among the plasma welded groups (p=0.05). Three representative specimens were randomly selected to be evaluated under scanning electron microcopy. The composition of the welded regions was analyzed by energy dispersive X-ray spectroscopy. This study provides an initial set of parameters supporting the use of plasma welding during fabrication of titanium alloy dental frameworks.

Rapid Growth of Nanostructured Diamond Film on Silicon and Ti–6Al–4V Alloy Substrates

PubMed Central

Samudrala, Gopi K.; Vohra, Yogesh K.; Walock, Michael J.; Miles, Robin

2014-01-01

Nanostructured diamond (NSD) films were grown on silicon and Ti–6Al–4V alloy substrates by microwave plasma chemical vapor deposition (MPCVD). NSD Growth rates of 5 μm/h on silicon, and 4 μm/h on Ti–6Al–4V were achieved. In a chemistry of H2/CH4/N2, varying ratios of CH4/H2 and N2/CH4 were employed in this research and their effect on the resulting diamond films were studied by X-ray photoelectron spectroscopy, Raman spectroscopy, scanning electron microscopy, and atomic force microscopy. As a result of modifying the stock cooling stage of CVD system, we were able to utilize plasma with high power densities in our NSD growth experiments, enabling us to achieve high growth rates. Substrate temperature and N2/CH4 ratio have been found to be key factors in determining the diamond film quality. NSD films grown as part of this study were shown to contain 85% to 90% sp3 bonded carbon. PMID:28788461

Effect of Tricalcium Magnesium Silicate Coating on the Electrochemical and Biological Behavior of Ti-6Al-4V Alloys

PubMed Central

Hadipour, Mohammadreza; Nadernezhad, Ali; Aghaie, Ermia; Behnamian, Yashar; Abu Osman, Noor Azuan

2015-01-01

In the current study, a sol-gel-synthesized tricalcium magnesium silicate powder was coated on Ti-6Al-4V alloys using plasma spray method. Composition of feed powder was evaluated by X-ray diffraction technique before and after the coating process. Scanning electron microscopy and atomic force microscopy were used to study the morphology of coated substrates. The corrosion behaviors of bare and coated Ti-6Al-4V alloys were examined using potentiodynamic polarization test and electrochemical impedance spectroscopy in stimulated body fluids. Moreover, bare and coated Ti-6Al-4V alloys were characterized in vitro by culturing osteoblast and mesenchymal stem cells for several days. Results demonstrated a meaningful improvement in the corrosion resistance of Ti-6Al-4V alloys coated with tricalcium magnesium silicate compared with the bare counterparts, by showing a decrease in corrosion current density from 1.84 μA/cm2 to 0.31 μA/cm2. Furthermore, the coating substantially improved the bioactivity of Ti-6Al-4Valloys. Our study on corrosion behavior and biological response of Ti-6Al-4V alloy coated by tricalcium magnesium silicate proved that the coating has considerably enhanced safety and applicability of Ti-6Al-4V alloys, suggesting its potential use in permanent implants and artificial joints. PMID:26383641

CLAES CH4, N2O and CCL2F2 (F12) global data. [Cryogenic Array Etalon Spectrometer

NASA Technical Reports Server (NTRS)

Kumer, J. B.; Mergenthaler, J. L.; Roche, A. E.

1993-01-01

Zonal mean comparisons of CH4 (for altitude regions above the 1.35 ppmv contour), of N2O (above the 210 ppbv contour), and of F12 (above the 360 pptv contour) with UARS prelaunch climatology and with recent models shows reasonable agreement, and some interesting differences in the details of equatorial uplift and descent near the winter poles, including apparent north-south differences. Prominent features such as the double peaked uplift structure in the April-May SAMS data are clearly evident in all three CLAES tracers. Contours of SAMS CH4 and N2O occur mostly at higher pressures than in the CLAES data, presumably due in part to increased tropospheric content of these gases, and/or perhaps some dynamic difference associated with the 15 years time difference between the data sets. The CLAES F12 are the first long time base global data sets. These show more tropical uplift than climatology or models. This might suggest a somewhat shorter lifetime of F12 in the stratosphere than is currently accepted.

Thermophysical Properties of Solid and Liquid Ti-6Al-4V (TA6V) Alloy

NASA Astrophysics Data System (ADS)

Boivineau, M.; Cagran, C.; Doytier, D.; Eyraud, V.; Nadal, M.-H.; Wilthan, B.; Pottlacher, G.

2006-03-01

Ti-6Al-4V (TA6V) titanium alloy is widely used in industrial applications such as aeronautic and aerospace due to its good mechanical properties at high temperatures. Experiments on two different resistive pulse heating devices (CEA Valduc and TU-Graz) have been carried out in order to study thermophysical properties (such as electrical resistivity, volume expansion, heat of fusion, heat capacity, normal spectral emissivity, thermal diffusivity, and thermal conductivity) of both solid and liquid Ti-6Al-4V. Fast time-resolved measurements of current, voltage, and surface radiation and shadowgraphs of the volume have been undertaken. At TU-Graz, a fast laser polarimeter has been used for determining the emissivity of liquid Ti-6Al-4V at 684.5 nm and a differential scanning calorimeter (DSC) for measuring the heat capacity of solid Ti-6Al-4V. This study deals with the specific behavior of the different solid phase transitions (effect of heating rate) and the melting region, and emphasizes the liquid state ( T > 2000 K).

Biomimetic Hydroxyapatite Growth on Functionalized Surfaces of Ti-6Al-4V and Ti-Zr-Nb Alloys

NASA Astrophysics Data System (ADS)

Pylypchuk, Ie V.; Petranovskaya, A. L.; Gorbyk, P. P.; Korduban, A. M.; Markovsky, P. E.; Ivasishin, O. M.

2015-08-01

A biomimetic approach for coating titanium-containing alloys with hydroxyapatite (HA) is reported in the article. Two types of Ti-containing alloys were chosen as an object for coating: Ti-6Al-4V (recommended for orthopedic application) and a novel highly biocompatible Ti-Zr-Nb alloy, with good mechanical compatibility due to a modulus that is more close to that of human bones (E ≈ 50 GPa instead of 110 GPa in Ti-6Al-4V). Coating process was carried out in a 10×-concentrated simulated body fluid (SBF)—synthetic analog of human body plasma. The effect of oxidized and carboxylated alloy surface on formation of biomimetic hydroxyapatite has been studied. By XRD, we found influence of thermal conditions on HA crystal formation and size. SEM images and Fourier transform infrared confirmed that hydroxyapatite with different morphology, crystallinity, and Ca/P ratio formed on metallic surfaces. X-ray photoelectron spectroscopy showed that in the Ti-6AL-4V sample the observed Ca/P ratio reach 0.97, whereas in the Ti-Zr-Nb sample the observed Ca/P ratio reach 1.15.

In situ synthesized TiB-TiN reinforced Ti6Al4V alloy composite coatings: microstructure, tribological and in-vitro biocompatibility.

PubMed

Das, Mitun; Bhattacharya, Kaushik; Dittrick, Stanley A; Mandal, Chitra; Balla, Vamsi Krishna; Sampath Kumar, T S; Bandyopadhyay, Amit; Manna, Indranil

2014-01-01

Wear resistant TiB-TiN reinforced Ti6Al4V alloy composite coatings were deposited on Ti substrate using laser based additive manufacturing technology. Ti6Al4V alloy powder premixed with 5wt% and 15wt% of boron nitride (BN) powder was used to synthesize TiB-TiN reinforcements in situ during laser deposition. Influences of laser power, scanning speed and concentration of BN on the microstructure, mechanical, in vitro tribological and biological properties of the coatings were investigated. Microstructural analysis of the composite coatings showed that the high temperature generated due to laser interaction with Ti6Al4V alloy and BN results in situ formation of TiB and TiN phases. With increasing BN concentration, from 5wt% to 15wt%, the Young's modulus of the composite coatings, measured by nanoindentation, increased from 170±5GPa to 204±14GPa. In vitro tribological tests showed significant increase in the wear resistance with increasing BN concentration. Under identical test conditions TiB-TiN composite coatings with 15wt% BN exhibited an order of magnitude less wear rate than CoCrMo alloy-a common material for articulating surfaces of orthopedic implants. Average top surface hardness of the composite coatings increased from 543±21HV to 877±75HV with increase in the BN concentration. In vitro biocompatibility and flow cytometry study showed that these composite coatings were non-toxic, exhibit similar cell-materials interactions and biocompatibility as that of commercially pure titanium (CP-Ti) samples. In summary, excellent in vitro wear resistance, high stiffness and suitable biocompatibility make these composite coatings as a potential material for load-bearing articulating surfaces towards orthopaedic implants. © 2013 Elsevier Ltd. All rights reserved.

Rate coefficients for the reaction of O(1D) with the atmospherically long-lived greenhouse gases NF3, SF3CF3, CHF3, C2F6, c-C3F8, n-C5F12, and n-C6F14

NASA Astrophysics Data System (ADS)

Baasandorj, M.; Hall, B. D.; Burkholder, J. B.

2012-09-01

The contribution of atmospherically persistent (long-lived) greenhouse gases to the radiative forcing of Earth has increased over the past several decades. The impact of highly fluorinated saturated compounds, in particular perfluorinated compounds, on climate change is a concern because of their long atmospheric lifetimes, which are primarily determined by stratospheric loss processes, as well as their strong absorption in the infrared "window" region. A potentially key stratospheric loss process for these compounds is their gas-phase reaction with electronically excited oxygen atoms, O(1D). Therefore, accurate reaction rate coefficient data is desired for input to climate change models. In this work, rate coefficients, k, were measured for the reaction of O(1D) with several key long-lived greenhouse gases, namely NF3, SF5CF3, CHF3 (HFC-23), C2F6, c-C4F8, n-C5F12, and n-C6F14. Room temperature rate coefficients for the total reaction, kTot, corresponding to loss of O(1D), and reactive channel, kR, corresponding to the loss of the reactant compound, were measured for NF3 and SF5CF3 using competitive reaction and relative rate methods, respectively. kR was measured for the CHF3 reaction and improved upper-limits were determined for the perfluorinated compounds included in this study. For NF3, kTot was determined to be (2.55 ± 0.38) × 10-11 cm3 molecule-1 s-1 and kR, which was measured using CF3Cl, N2O, CF2ClCF2Cl (CFC-114), and CF3CFCl2 (CFC-114a) as reference compounds, was determined to be (2.21 ± 0.33) × 10-11 cm3 molecule-1 s-1 corresponding to a reactive branching ratio of 0.87 ± 0.13. For SF5CF3, kTot = (3.24 ± 0.50) × 10-13 cm3 molecule-1 s-1 and kR < 5.8 × 10-14 cm3 molecule-1 s-1 were measured, where kR is a factor of three lower than the current recommendation of kTot for use in atmospheric modeling. For CHF3, kR was determined to be (2.35 ± 0.35) × 10-12 cm3 molecule-1 s-1, which corresponds to a reactive channel yield of 0.26 ± 0.04, and

Study on magnetic properties of (Nd0.8Ce0.2)2-xFe12Co2B (x = 0-0.6) alloys

NASA Astrophysics Data System (ADS)

Tan, G. S.; Xu, H.; Yu, L. Y.; Tan, X. H.; Zhang, Q.; Gu, Y.; Hou, X. L.

2017-09-01

In the present work, (Nd0.8Ce0.2)2-xFe12Co2B (x = 0-0.6) permanent alloys are prepared by melt-spinning method. The hard magnetic properties of (Nd0.8Ce0.2)2-xFe12Co2B (x = 0-0.6) alloys annealed at optimum temperatures have been investigated systematically. Depending on the Nd, Ce concentration, the maximum energy product ((BH)max) and remanence (Br) increase gradually with x in the range of 0 ≤ x ≤ 0.4, whereas decrease gradually in the alloys with 0.4 < x ≤ 0.6. It is found that the optimum magnetic properties are obtained at x = 0.4: Hci = 4.9 kOe, Br = 10.1 kG, (BH)max = 13.7 MGOe. Specifically, magnetic field heat treatment below the Curie temperature is applied for (Nd0.8Ce0.2)1.6Fe12Co2B (x = 0.4) annealed ribbons. The magnetic properties Br, (BH)max and squareness are all enhanced after the magnetic field heat treatment. The (BH)max shows a substantial increase from 13.7 MGOe to 16.0 MGOe after the heat treatment at 623 K with a magnetic field of 1 T, which gets 17% improvement compared with that of the sample without a magnetic field heat treatment. We demonstrate that the magnetic field heat treatment plays a certain role in the magnetization reversal behavior and can improve the microstructure of (Nd0.8Ce0.2)1.6Fe12Co2B alloy.

Microstructure and high-temperature oxidation resistance of TiN/Ti3Al intermetallic matrix composite coatings on Ti6Al4V alloy surface by laser cladding

NASA Astrophysics Data System (ADS)

Zhang, Xiaowei; Liu, Hongxi; Wang, Chuanqi; Zeng, Weihua; Jiang, Yehua

2010-11-01

A high-temperature oxidation resistant TiN embedded in Ti3Al intermetallic matrix composite coating was fabricated on titanium alloy Ti6Al4V surface by 6kW transverse-flow CO2 laser apparatus. The composition, morphology and microstructure of the laser clad TiN/Ti3Al intermetallic matrix composite coating were characterized by optical microscopy (OM), scanning electron microscopy (SEM), X-ray diffraction (XRD) and energy dispersive spectrometer (EDS). In order to evaluate the high-temperature oxidation resistance of the composite coatings and the titanium alloy substrate, isothermal oxidation test was performed in a conventional high-temperature resistance furnace at 600°C and 800°C respectively. The result shows that the laser clad intermetallic composite coating has a rapidly solidified fine microstructure consisting of TiN primary phase (granular-like, flake-like, and dendrites), and uniformly distributed in the Ti3Al matrix. It indicates that a physical and chemical reaction between the Ti powder and AlN powder occurred completely under the laser irradiation. In addition, the microhardness of the TiN/Ti3Al intermetallic matrix composite coating is 844HV0.2, 3.4 times higher than that of the titanium alloy substrate. The high-temperature oxidation resistance test reveals that TiN/Ti3Al intermetallic matrix composite coating results in the better modification of high-temperature oxidation behavior than the titanium substrate. The excellent high-temperature oxidation resistance of the laser cladding layer is attributed to the formation of the reinforced phase TiN and Al2O3, TiO2 hybrid oxide. Therefore, the laser cladding TiN/Ti3Al intermetallic matrix composite coating is anticipated to be a promising oxidation resistance surface modification technique for Ti6Al4V alloy.

Key improvements in machining of Ti6al4v alloy: A review

NASA Astrophysics Data System (ADS)

Katta, Sivakoteswararao; Chaitanya, G.

2017-07-01

Now a days the use of ti-6al-4v alloy is high in demand in many industries like aero space, bio medical automobile, space, military etc. the production rates in the industries are not sufficient because the machiniability of ti-6al-4v is the main problem, there are several cutting tools available for metal cutting operations still there is a gap in finding the proper cutting tool material for machining of ti-6al-4v. because the properties of titanium like high heat resistant, low thermal conductivity, low weight ratio, less corrosiveness, and more many properties attracting the industrialists to use titanium as their material for their products, many researchers done the research on machininbility of ti-6al-4v by using different tool materials. but as for my literature survey there is still lot of scope is available, to find better cutting tool with techniques for machining ti-6al-4v. in this paper iam discussing the work done by various researchers on ti-6al-4v alloy with different techniques.

5-(Furan-2-yl)-4-(3,4,5-trimethoxyphenyl)-3H-1,2-dithiol-3-one oxime (6f), a new synthetic compound, causes human fibrosarcoma HT-1080 cell apoptosis by disrupting tubulin polymerisation and inducing G2/M arrest.

PubMed

Zuo, Daiying; Pang, Lili; Shen, Jiwei; Guan, Qi; Bai, Zhaoshi; Zhang, Huijuan; Li, Yao; Lu, Guodong; Zhang, Weige; Wu, Yingliang

2017-06-01

In the current study, we synthesized a series of new compounds targeting tubulin and tested their anti-proliferative activities. Among these new synthetic com-pounds, 5-(furan-2-yl)-4-(3,4,5-trimethoxyphenyl)-3H-1,2-dithiol-3-one oxime (6f) exhibited significant anti-proliferative activity against different human cancer cell lines including human gastric adenocarcinoma SGC-7901, human non-small cell lung cancer A549, and human fibrosarcoma HT-1080. As a result, 6f was selected to further test the sensitivity to different cancer cell lines including human cervical cancer cell line HeLa, human breast cancer cell line MCF-7, non-small cell lung cancer cell line A549, human liver carcinoma cell line HepG-2, human oral squamous cell carcinoma cell lines KB, SGC-7901 and HT-1080. Among these cell lines, HT-1080 and HeLa are the most sensitive. Therefore, HT-1080 was selected to further explore the properties of anti-proliferative activity and the underlying mechanisms. Our data proved that 6f exhibited strong anti-proliferative effects against HT-1080 cells in a time- and dose-dependent manner. We showed that the growth inhibitory effect of 6f in HT-1080 cells was related with microtubule depolymerisation. Molecular docking studies revealed that 6f interacted and bound efficiently with the colchicine-binding site of tubulin. In addition, 6f treatment induced G2/M cell cycle arrest dose-dependently and subsequently induced cell apoptosis. Western blot study indicated that upregulation of cyclin B1 and p-cdc2 was related with G2/M arrest. 6f-induced cell apoptosis was associated with both mitochondrial and death receptor pathway. In conclusion, our data showed that 6f, among the newly synthetic compounds, exhibited highest anti-proliferative activity by disrupting the microtubule polymerisation, causing G2/M arrest and subsequently inducing cell apoptosis in HT-1080 cells. Hence, 6f is a promising microtubule depolymerising agent for the treatment of various cancers

Are new TiNbZr alloys potential substitutes of the Ti6Al4V alloy for dental applications? An electrochemical corrosion study.

PubMed

Ribeiro, Ana Lúcia Roselino; Hammer, Peter; Vaz, Luís Geraldo; Rocha, Luís Augusto

2013-12-01

The main aim of this work was to assess the electrochemical behavior of new Ti35Nb5Zr and Ti35Nb10Zr alloys in artificial saliva at 37 °C to verify if they are indicated to be used as biomaterials in dentistry as alternatives to Ti6Al4V alloys in terms of corrosion protection efficiency of the material. Electrochemical impedance spectroscopy (EIS) experiments were carried out for different periods of time (0.5-216 h) in a three-electrode cell, where the working electrode (Ti alloys) was exposed to artificial saliva at 37 °C. The near-surface region of the alloys was investigated using x-ray photoelectron spectroscopy (XPS). All alloys exhibited an increase in corrosion potential with the immersion time, indicating the growth and stabilization of the passive film. Ti35Nb5Zr and Ti6Al4V alloys had their EIS results interpreted by a double-layer circuit, while the Ti35Nb10Zr alloy was modeled by a one-layer circuit. In general, the new TiNbZr alloys showed similar behavior to that observed for the Ti6Al4V. XPS results suggest, in the case of the TiNbZr alloys, the presence of a thicker passive layer containing a lower fraction of TiO2 phase than that of Ti6Al4V. After long-term immersion, all alloys develop a calcium phosphate phase on the surface. The new TiNbZr alloys appear as potential candidates to be used as a substitute to Ti6Al4V in the manufacturing of dental implant-abutment sets.

Cross sections of the 144Sm(n,α)141Nd and 66Zn(n,α)63Ni reactions at 4.0, 5.0 and 6.0 MeV

NASA Astrophysics Data System (ADS)

Yury, Gledenov; Guohui, Zhang; Khuukhenkhuu, Gonchigdorj; Milana, Sedysheva; Lubos, Krupa; Sansarbayar, Enkhbold; Igor, Chuprakov; Zhimin, Wang; Xiao, Fan; Luyu, Zhang; Huaiyong, Bai

2017-09-01

Cross sections of the 144Sm(n,α)141Nd and 66Zn(n,α)63Ni reactions were measured at En = 4.0, 5.0 and 6.0 MeV performed at the 4.5-MV Van de Graaff Accelerator of Peking University, China. A double-section gridded ionization chamber was used to detect the alpha particles. The foil samples of 144Sm2O3 and enriched 66Zn were placed at the common cathode plate of the chamber. Monoenergetic neutrons were produced by a deuterium gas target through the 2H(d,n)3He reaction. The neutron flux was monitored by a BF3 long counter. Cross sections of the 238U(n,f) reaction were used as the standard to perform the (n,α) reaction measurement. Present results are compared with existing measurements and evaluations. They are generally in agreement with TALYS-1.6 code calculations. For the 144Sm(n,α)141Nd reaction our measurements support the data of JEF-2.2. For the 66Zn(n,α)63Ni reaction present results support the data of EAF-2010 and TENDL-2015 data.

Osteogenic potential of a novel microarc oxidized coating formed on Ti6Al4V alloys

NASA Astrophysics Data System (ADS)

Wang, Yaping; Lou, Jin; Zeng, Lilan; Xiang, Junhuai; Zhang, Shufang; Wang, Jun; Xiong, Fucheng; Li, Chenglin; Zhao, Ying; Zhang, Rongfa

2017-08-01

In order to improve the biocompatibility, Ti6Al4V alloys are processed by micro arc oxidation (MAO) in a novel electrolyte of phytic acid, a natural organic phosphorus-containing matter. The MAO coatings were characterized by scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD), Fourier Transform Infrared (FT-IR) and X-ray photoelectron spectroscopy (XPS). The cytocompatibility of Ti6A14V alloys before and after MAO were comprehensively evaluated. The results showed that the fabricated MAO coatings were composed of rutile, anatase, TiP2O7 as well as some OH- groups, exhibiting the excellent hydrophilicity and a porous structure with small micro pores. No cytotoxicity towards MC3T3-E1cells was observed in this study. In particular, MAO treated Ti6Al4V alloys presented comparable cell adhesion and proliferation as well as significantly enhanced alkaline phosphatase activity, extracellular matrix (ECM) mineralization and collagen secretion in comparison with the untreated control. The results suggest that the Ti6Al4V alloys treated by MAO in phytic acid can be used as implants for orthopaedic applications, providing a simple and practical method to widen clinical acceptance of titanium alloys.

Vibrational spectra of Mg2KH(XO4)2·15H2O (X=P, As) containing dimer units [H(XO4)2].

PubMed

Stefov, V; Koleva, V; Najdoski, M; Abdija, Z; Cahil, A; Šoptrajanov, B

2017-08-05

Infrared and Raman spectra of Mg 2 KH(PO 4 ) 2 ·15H 2 O and Mg 2 KH(AsO 4 ) 2 ·15H 2 O and a series of their partially deuterated analogues were recorded and analyzed. Compounds of the type Mg 2 KH(XO 4 ) 2 ·15H 2 O (X=P, As) are little-known and a rare case of phosphate and arsenate salts containing dimer units [H(XO 4 ) 2 ] in the crystal structure. The analysis of their IR spectra (recorded at room and liquid nitrogen temperature) and Raman spectra showed that the spectral characteristics of the XO 4 groups connected in a dimer through a proton are not consistent with the presence of X-O-H covalent linkage and C 1 crystallographic symmetry of the XO 4 groups. The observation of a singlet Raman band for the ν 1 (XO 4 ) mode as well as the absence of substantial splitting of the ν 3 (XO 4 ) modes and IR activation of the ν 1 (XO 4 ) mode suggest that the dimer units [H(XO 4 ) 2 ] are most probably symmetric rather than non-symmetric ones. It was found that, in the vibrational spectra of Mg 2 KH(AsO 4 ) 2 ·15H 2 O, both ν 1 (AsО 4 ) and ν 3 (AsО 4 ) modes have practically the same wavenumber around 830cm -1 . It was also established that the ν 4 (PО 4 ) modes in the deuterated hydrogendiphosphate compound are strongly coupled, most probably with HDO and/or D 2 O librations. As a whole, the spectral picture of Mg 2 KH(XO 4 ) 2 ·15H 2 O (X=P, As) very much resembles that observed for the struvite type compounds with the formula KMgXO 4 ·6H 2 O (X=P, As) which do not contain X-OH groups. This means that vibrations of the dimers [H(XO 4 ) 2 ] play a relatively small part in the general spectral appearance. Copyright © 2017 Elsevier B.V. All rights reserved.

Radiosynthesis and biological evaluation of N-(2-[18F]fluoropropionyl)-3,4-dihydroxy-l-phenylalanine as a PET tracer for oncologic imaging.

PubMed

Tang, Caihua; Nie, Dahong; Tang, Ganghua; Gao, Siyuan; Liu, Shaoyu; Wen, Fuhua; Tang, Xiaolan

2017-07-01

Several 11 C and 18 F labeled 3,4-dihydroxy-l-phenylalanine (l-DOPA) analogues have been used for neurologic and oncologic diseases, especially for brain tumors and neuroendocrine tumors PET imaging. However, 18 F-labeled N-substituted l-DOPA analogues have not been reported so far. In the current study, radiosynthesis and biological evaluation of a new 18 F-labeled l-DOPA analogue, N-(2-[ 18 F]fluoropropionyl)-3,4-dihydroxy-l-phenylalanine ([ 18 F]FPDOPA) for tumor PET imaging are performed. The synthesis of [ 18 F]FPDOPA was via a two-step reaction sequence from 4-nitrophenyl-2-[ 18 F]fluoropropionate ([ 18 F]NFP). The biodistribution of [ 18 F]FPDOPA was determined in normal Kunming mice. In vitro competitive inhibition and protein incorporation experiments were performed with SPC-A-1 lung adenocarcinoma cell lines. PET/CT studies of [ 18 F]FPDOPA were conducted in C6 rat glioma and SPC-A-1 human lung adenocarcinoma and H460 human large cell lung cancer-bearing nude mice. [ 18 F]FPDOPA was prepared with a decay-corrected radiochemical yield of 28±5% and a specific activity of 50±15GBq/μmol (n=10) within 125min. In vitro cell experiments showed that [ 18 F]FPDOPA uptake in SPC-A-1 cells was primarily transported through Na + -independent system L, with Na + -dependent system B 0,+ and system ASC partly involved in it. Biodistribution data in mice showed that renal-bladder route was the main excretory system of [ 18 F]FPDOPA. PET imaging demonstrated intense accumulation of [ 18 F]FPDOPA in several tumor xenografts, with (8.50±0.40)%ID/g in C6 glioma, (6.30±0.12)%ID/g in SPC-A-1 lung adenocarcinoma, and (6.50±0.10)%ID/g in H460 large cell lung cancer, respectively. A novel N-substituted 18 F-labeled L-DOPA analogue [ 18 F]FPDOPA is synthesized and evaluated in vitro and in vivo. The results support that [ 18 F]FPDOPA seems to be a potential PET tracer for tumor imaging, especially be a better potential PET tracer than [ 18 F]fluoro-2-deoxy-d-glucose ([ 18 F

Biocorrosion of TiO2 nanoparticle coating of Ti-6Al-4V in DMEM under specific in vitro conditions

NASA Astrophysics Data System (ADS)

Höhn, Sarah; Virtanen, Sannakaisa

2015-02-01

A TiO2 nanoparticle coating was prepared on a biomedical Ti-6Al-4V alloy using "spin-coating" technique with a colloidal suspension of TiO2 nanopowders with the aim to optimize the surface morphology (e.g., roughness) for improved biocompatibility. The influence of a TiO2 nanoparticle (NP) coating on the corrosion behavior, metal ion release, and biomimetic apatite formation was studied in DMEM, at 37.5 °C with a continuous supply of 5% CO2. Electrochemical impedance spectroscopy measurements indicate a formation of a new layer on the surface of the NP-coated sample upon 28 days immersion in DMEM. Scanning electron microscopy (SEM) and X-ray spectroscopy confirm that the surface of the NP-coated Ti-6Al-4V shows a complete coverage by a Ca-phosphate layer in contrast to the non-coated Ti-6Al-4V alloy. Hence, the TiO2-NP coating strongly enhances biomimetic apatite formation on the alloy surface. In addition, the TiO2-NP coating can efficiently reduce Al-release from the alloy, for which the bare Ti-6Al-4V alloy is significant for at least 28 days of immersion in DMEM.

Characterization and mechanical properties investigation of TiN-Ag films onto Ti-6Al-4V

NASA Astrophysics Data System (ADS)

Du, Dongxing; Liu, Daoxin; Zhang, Xiaohua; Tang, Jingang; Xiang, Dinggen

2016-03-01

To investigate their effect on fretting fatigue (FF) resistance of a Ti-6Al-4V alloy, hard solid lubricating composite films of TiN with varying silver contents (TiN-Ag) were deposited on a Ti-6Al-4V alloy using ion-assisted magnetron sputtering. The surface morphology and structure were analyzed by atomic force microscopy, X-ray diffractometry, X-ray photoelectron spectroscopy, and transmission electron microscopy. The hardness, bonding strength, and toughness of films were tested using a micro-hardness tester, scratch tester, and a repeated press-press test system that was manufactured in-house, respectively. The FF resistance of TiN-Ag composite films was studied using self-developed devices. The results show that the FF resistance of a titanium alloy can be improved by TiN-Ag composite films, which were fabricated using hard TiN coating doped with soft Ag. The FF life of Ag0.5, Ag2, Ag5, Ag10 and Ag20 composite films is 2.41, 3.18, 3.20, 2.94 and 2.87 times as great as that of the titanium alloy, respectively. This is because the composite films have the better toughness, friction lubrication, and high bonding strength. When the atomic fraction of Ag changes from 2% to 5%, the FF resistance of the composite films shows the best performance. This is attributed to the surface integrity of the composite film is sufficiently fine to prevent the initiation and early propagation of FF cracks.

TOXICITY OF TETRYL (N-METHYL-N,2,4,6-TETRANITROANILINE) IN F344 RATS

EPA Science Inventory

The toxicity of tetryl (N-methyl-N,2,4,6-tetranitroaniline) in male and female F344 rats was evaluated after adminstration in the diet for 14 or 90 days. The 14-day study diet concentrations used were 0, 500, 1250, 2000, 2500, and 5000 ppm; the 90-day study diet concentrations we...

A new insight into high-strength Ti62Nb12.2Fe13.6Co6.4Al5.8 alloys with bimodal microstructure fabricated by semi-solid sintering

PubMed Central

Liu, L. H.; Yang, C.; Kang, L. M.; Qu, S. G.; Li, X. Q.; Zhang, W. W.; Chen, W. P.; Li, Y. Y.; Li, P. J.; Zhang, L. C.

2016-01-01

It is well known that semi-solid forming could only obtain coarse-grained microstructure in a few alloy systems with a low melting point, such as aluminum and magnesium alloys. This work presents that semi-solid forming could also produce novel bimodal microstructure composed of nanostructured matrix and micro-sized (CoFe)Ti2 twins in a titanium alloy, Ti62Nb12.2Fe13.6Co6.4Al5.8. The semi-solid sintering induced by eutectic transformation to form a bimodal microstructure in Ti62Nb12.2Fe13.6Co6.4Al5.8 alloy is a fundamentally different approach from other known methods. The fabricated alloy exhibits high yield strength of 1790 MPa and plastic strain of 15.5%. The novel idea provides a new insight into obtaining nano-grain or bimodal microstructure in alloy systems with high melting point by semi-solid forming and into fabricating high-performance metallic alloys in structural applications. PMID:27029858

Structural transformations, strengthening, and wear resistance of titanium nickelide upon abrasive and adhesive wear

NASA Astrophysics Data System (ADS)

Korshunov, L. G.; Pushin, V. G.; Chernenko, N. L.; Makarov, V. V.

2010-07-01

Wear resistance and structural transformations upon abrasive and adhesive wear of titanium nickelide Ti49.4Ni50.6 in microcrystalline (MC) and submicrocrystalline (SMC) states have been investigated. It has been shown that the abrasive wear resistance of this alloy exceeds that of the steel 12Kh18N9 by a factor of about 2, that of the steel 110G13 (Hadfield steel), by a factor of 1.3, and is close to that of the steel 95Kh18. Upon adhesive wear in a testing-temperature range from -50 to +300°C, the Ti49.4Ni50.6 alloy, as compared to the steel 12Kh18N9, is characterized by the wear rate that is tens of times smaller and by a reduced (1.5-2.0 times) friction coefficient. The enhanced wear resistance of the Ti49.4Ni50.6 alloy is due to the development of intense strain hardening in it and to a high fracture toughness, which is a consequence of effective relaxation of high contact stresses arising in the surface layer of the alloy. The SMC state produced in the alloy with the help of equal-channel angular pressing (ECAP) has no effect on the abrasive wear resistance of the alloy. The favorable effect of ECAP on the wear resistance of the Ti49.4Ni50.6 alloy takes place under conditions of its adhesive wear at temperatures from -25 to +70°C. The electron-microscopic investigation showed that under conditions of wear at negative and room temperatures in the surface layer (1-5 μm thick) of titanium nickelide there arises a mixed structure consisting of an amorphous phase and nanocrystals of supposedly austenite and martensite. Upon friction at 200-300°C, a nanocrystalline structure of the B2 phase arises near the alloy surface, which, as is the case with the amorphous-nanocrystalline structure, is characterized by significant effective strength and wear resistance.

The Tribological Performance of Surface Treated Ti6A14V as Sliding Against Si3N4 Ball and 316L Stainless Steel Cylinder

NASA Astrophysics Data System (ADS)

Kao, W. H.; Su, Y. L.; Horng, J. H.; Huang, H. C.

2016-12-01

Closed field unbalanced magnetron sputtering was used to deposit diamond-like carbon (Ti-C:H) coatings on Ti6Al4V alloy and gas nitrided Ti6Al4V alloy. Four different specimens were prepared, namely untreated Ti6Al4V alloy (Ti6Al4V), gas nitrided Ti6Al4V alloy (N-Ti6Al4V), Ti-C:H-coated Ti6Al4V alloy (Ti-C:H/Ti6Al4V) and Ti-C:H-coated gas nitrided Ti6Al4V alloy (Ti-C:H/N-Ti6Al4V). The tribological properties of the four specimens were evaluated using a reciprocating wear tester sliding against a Si3N4 ball (point contact mode) and 316L stainless steel cylinder (line contact mode). The wear tests were performed in a 0.89 wt.% NaCl solution. The results showed that the nitriding treatment increased the surface roughness and hardness of the Ti6Al4V alloy and improved the wear resistance as a result. In addition, the Ti-C:H coating also improved the tribological performance of Ti6Al4V. For example, compared to the untreated Ti6Al4V sample, the Ti-C:H coating reduced the wear depth and friction coefficient by 340 times and 10 times, respectively, in the point contact wear mode, and 151 times and 9 times, respectively, in the line contact wear mode. It is thus inferred that diamond-like carbon coatings are of significant benefit in extending the service life of artificial biomedical implants.

New Powder Metallurgical Approach to Achieve High Fatigue Strength in Ti-6Al-4V Alloy

NASA Astrophysics Data System (ADS)

Cao, Fei; Ravi Chandran, K. S.; Kumar, Pankaj; Sun, Pei; Zak Fang, Z.; Koopman, Mark

2016-05-01

Recently, manufacturing of titanium by sintering and dehydrogenation of hydride powders has generated a great deal of interest. An overarching concern regarding powder metallurgy (PM) titanium is that critical mechanical properties, especially the high-cycle fatigue strength, are lower than those of wrought titanium alloys. It is demonstrated here that PM Ti-6Al-4V alloy with mechanical properties comparable (in fatigue strength) and exceeding (in tensile properties) those of wrought Ti-6Al-4V can be produced from titanium hydride powder, through the hydrogen sintering and phase transformation process. Tensile and fatigue behavior, as well as fatigue fracture mechanisms, have been investigated under three processing conditions. It is shown that a reduction in the size of extreme-sized pores by changing the hydride particle size distribution can lead to improved fatigue strength. Further densification by pneumatic isostatic forging leads to a fatigue strength of ~550 MPa, comparable to the best of PM Ti-6Al-4V alloys prepared by other methods and approaching the fatigue strengths of wrought Ti-6Al-4V alloys. The microstructural factors that limit fatigue strength in PM titanium have been investigated, and pathways to achieve greater fatigue strengths in PM Ti-6Al-4V alloys have been identified.

Effect of creep in titanium alloy Ti-6Al-4V at elevated temperature on aircraft design and flight test

NASA Technical Reports Server (NTRS)

Jenkins, J. M.

1984-01-01

Short-term compressive creep tests were conducted on three titanium alloy Ti-6Al-4V coupons at three different stress levels at a temperature of 714 K (825 F). The test data were compared to several creep laws developed from tensile creep tests of available literature. The short-term creep test data did not correlate well with any of the creep laws obtained from available literature. The creep laws themselves did not correlate well with each other. Short-term creep does not appear to be very predictable for titanium alloy Ti-6Al-4V. Aircraft events that result in extreme, but short-term temperature and stress excursions for this alloy should be approached cautiously. Extrapolations of test data and creep laws suggest a convergence toward predictability in the longer-term situation.

Vacuum Brazing TC4 Titanium Alloy to 304 Stainless Steel with Cu-Ti-Ni-Zr-V Amorphous Alloy Foil

NASA Astrophysics Data System (ADS)

Dong, Honggang; Yang, Zhonglin; Wang, Zengrui; Deng, Dewei; Dong, Chuang

2014-10-01

Dissimilar metal vacuum brazing between TC4 titanium alloy and 304 stainless steel was conducted with newly designed Cu-Ti-Ni-Zr-V amorphous alloy foils as filler metals. Solid joints were obtained due to excellent compatibility between the filler metal and stainless steel substrate. Partial dissolution of stainless steel substrate occurred during brazing. The shear strength of the joint brazed with Cu43.75Ti37.5Ni6.25Zr6.25V6.25 foil was 105 MPa and that with Cu37.5Ti25Ni12.5Zr12.5V12.5 was 116 MPa. All the joints fractured through the gray layer in the brazed seam, revealing brittle fracture features. Cr4Ti, Cu0.8FeTi, Fe8TiZr3 and Al2NiTi3C compounds were found in the fractured joint brazed with Cu43.75Ti37.5Ni6.25Zr6.25V6.25 foil, and Fe2Ti, TiCu, Fe8TiZr3 and NiTi0.8Zr0.3 compounds were detected in the joint brazed with Cu37.5Ti25Ni12.5Zr12.5V12.5 foil. The existence of Cr-Ti, Fe-Ti, Cu-Fe-Ti, and Fe-Ti-V intermetallic compounds in the brazed seam caused fracture of the resultant joints.

Increasing Ti-6Al-4V brazed joint strength equal to the base metal by Ti and Zr amorphous filler alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ganjeh, E., E-mail: navidganjehie@sina.kntu.ac.ir; Sarkhosh, H.; Bajgholi, M.E.

Microstructural features developed along with mechanical properties in furnace brazing of Ti-6Al-4V alloy using STEMET 1228 (Ti-26.8Zr-13Ni-13.9Cu, wt.%) and STEMET 1406 (Zr-9.7Ti-12.4Ni-11.2Cu, wt.%) amorphous filler alloys. Brazing temperatures employed were 900-950 Degree-Sign C for the titanium-based filler and 900-990 Degree-Sign C for the zirconium-based filler alloys, respectively. The brazing time durations were 600, 1200 and 1800 s. The brazed joints were evaluated by ultrasonic test, and their microstructures and phase constitutions analyzed by metallography, scanning electron microscopy and X-ray diffraction analysis. Since microstructural evolution across the furnace brazed joints primarily depends on their alloying elements such as Cu, Ni andmore » Zr along the joint. Accordingly, existence of Zr{sub 2}Cu, Ti{sub 2}Cu and (Ti,Zr){sub 2}Ni intermetallic compounds was identified in the brazed joints. The chemical composition of segregation region in the center of brazed joints was identical to virgin filler alloy content which greatly deteriorated the shear strength of the joints. Adequate brazing time (1800 s) and/or temperature (950 Degree-Sign C for Ti-based and 990 Degree-Sign C for Zr-based) resulted in an acicular Widmanstaetten microstructure throughout the entire joint section due to eutectoid reaction. This microstructure increased the shear strength of the brazed joints up to the Ti-6Al-4V tensile strength level. Consequently, Ti-6Al-4V can be furnace brazed by Ti and Zr base foils produced excellent joint strengths. - Highlights: Black-Right-Pointing-Pointer Temperature or time was the main factors of controlling braze joint strength. Black-Right-Pointing-Pointer Developing a Widmanstaetten microstructure generates equal strength to base metal. Black-Right-Pointing-Pointer Brittle intermetallic compounds like (Ti,Zr){sub 2}Ni/Cu deteriorate shear strength. Black-Right-Pointing-Pointer Ti and Zr base filler alloys were the best choice for

Insights into the photocatalytic mechanism of mediator-free direct Z-scheme g-C3N4/Bi2MoO6(010) and g-C3N4/Bi2WO6(010) heterostructures: A hybrid density functional theory study

NASA Astrophysics Data System (ADS)

Opoku, Francis; Govender, Krishna Kuben; Sittert, Cornelia Gertina Catharina Elizabeth van; Govender, Penny Poomani

2018-01-01

Graphite-like carbon nitride (g-C3N4)-based heterostructures have received much attention due to their prominent photocatalytic activity. The g-C3N4/Bi2WO6 and g-C3N4/Bi2MoO6 heterostructures, which follow a typical hetero-junction charge transfer mechanisms show a weak potential for hydrogen evolution and reactive radical generation under visible light irradiation. A mediator-free Z-scheme g-C3N4/Bi2MoO6(010) and g-C3N4/Bi2WO6(010) heterostructures photocatalyst are designed for the first time using first-principles studies. Moreover, theoretical understanding of the underlying mechanism, the effects of interfacial composition and the role the interface play in the overall photoactivity is still unexplained. The calculated band gap of the heterostructures is reduced compared to the bulk Bi2WO6 and Bi2MoO6. In this study, we systematically calculated energy band structure, optical properties and charge transfer of the g-C3N4/Bi2MoO6(010) and g-C3N4/Bi2WO6(010) heterostructures using the hybrid density functional theory approach. The results show that the charge transfer at the interface of the heterostructures induces a built-in potential, which benefits the separation of photogenerated charge carriers. The g-C3N4/Bi2MoO6(010) heterostructure with more negative adhesion energy (-1.10 eVA-2) is predicted to have a better adsorptive ability and can form more easily compared to the g-C3N4/Bi2WO6(010) interface (-1.16 eVA-2). Therefore, our results show that the g-C3N4 interaction with Bi2MoO6 is stronger than Bi2WO6, which is also verified by the smaller vertical separation (3.25 Å) between Bi2MoO6 and g-C3N4 compared to the g-C3N4/Bi2WO6(010) interface (3.36 Å). The optical absorption verifies that these proposed Z-scheme heterostructures are excellent visible light harvesting semiconductor photocatalyst materials. This enhancement is ascribed to the role of g-C3N4 monolayer as an electron acceptor and the direct Z-scheme charge carrier transfer at the interface of

Fluorcanasite, K3Na3Ca5Si12O30(F,OH)4 · H2O, a new mineral species from the Khibiny alkaline pluton, Kola Peninsula, Russia, and new data on canasite

NASA Astrophysics Data System (ADS)

Khomyakov, A. P.; Nechelyustov, G. N.; Krivokoneva, G. K.; Rastsvetaeva, R. K.; Rozenberg, K. A.; Rozhdestvenskaya, I. V.

2009-12-01

Fluorcanasite is described, a new mineral species found in dumps of the Kirovsk apatite mine, Mt. Kukisvumchorr, Khibiny alkaline pluton, Kola Peninsula, Russia. The new mineral is associated with microcline, nepheline, aegirine, scherbakovite, lamprophyllite, pectolite, mosandrite, villiaumite, rasvumite, and molybdenite. It occurs as prismatic crystals up to 0.2-0.3 × 1-2 mm in size extending along [010]. Fluorcanasite is purple, transparent, with white streak and vitreous luster. The fracture is hackly along the extension and stepped in other directions. The mineral is brittle. The cleavage is eminent parallel to {100} and {201} and perfect parallel to {001}. D(meas) = 2.68(2) g/cm3 (volumetric method); D(calc) = 2.69 g/cm3. Fluorcanasite is biaxial, negative, n α = 1.538(1), n β = 1.546(1), n γ = 1.549(1), 2 V(meas) = 60(2)°, 2 V(calc) = 63°. Dispersion r > v. The new mineral is pleochroic according to the scheme N β > N γ > N α; N β is purple, N γ is lilac, and N α is amber-yellow. Orientation is as follows: b = N β, a∧ N γ = 3°, c∧ N α = 19°. Fluorcanasite is not luminescent in UV light and slowly decomposes in acid. The new mineral is monoclinic, space group Cm, a = 18.846(4), b = 7.242(1), c = 12.650(2) Å, β = 111.84(2)°, V = 1602.6(4) Å3, Z = 2. The strongest reflections [ d, Å( I)] in the X-ray powder pattern of a grainoriented sample are 2.915(100), 4.204(40), 5.872(36), 4.712(36), 2.358(32), 3.012(24), 2.310(24), 3.082(24) and the same reflections in a randomly oriented sample are 3.082(100), 2.915(85), 4.712(46), 4.204(41), 3.340(35), 5.872(33), 2.658(30). The chemical composition, determined with an electron microprobe, is as follows, wt %: 7.19 Na2O, 10.91 K2O, 19.55 CaO, 0.27 FeO, 2.08 MnO, 55.84 SiO2, 4.10 F, 2.22 H2O (determined on the basis of structural data), 1.73-O = F2; the total is 100.43. The empirical formula, calculated on the basis of Si = 12, is K2.99Na3.00(Ca4.50Mn0.38·Fe{0.05/2+})Σ4.93Si12O29.93(F2.79OH1

On the interdiffusion in multilayered silicide coatings for the vanadium-based alloy V-4Cr-4Ti

NASA Astrophysics Data System (ADS)

Chaia, N.; Portebois, L.; Mathieu, S.; David, N.; Vilasi, M.

2017-02-01

To provide protection against corrosion at high temperatures, silicide diffusion coatings were developed for the V-4Cr-4Ti alloy, which can be used as the fuel cladding in next-generation sodium-cooled fast breeder reactors. The multilayered coatings were prepared by halide-activated pack cementation using MgF2 as the transport agent and pure silicon (high activity) as the master alloy. Coated pure vanadium and coated V-4Cr-4Ti alloy were studied and compared as substrates. In both cases, the growth of the silicide layers (V3Si, V5Si3, V6Si5 and VSi2) was controlled exclusively by solid-state diffusion, and the growth kinetics followed a parabolic law. Wagner's analysis was adopted to calculate the integrated diffusion coefficients for all silicides. The estimated values of the integrated diffusion coefficients range from approximately 10-9 to 10-13 cm2 s-1. Then, a diffusion-based numerical approach was used to evaluate the growth and consumption of the layers when the coated substrates were exposed at critical temperatures. The estimated lifetimes of the upper VSi2 layer were 400 h and 280 h for pure vanadium and the V-4Cr-4Ti alloy, respectively. The result from the numeric simulation was in good agreement with the layer thicknesses measured after aging the coated samples at 1150 °C under vacuum.

Microstructure-Tensile Properties Correlation for the Ti-6Al-4V Titanium Alloy

NASA Astrophysics Data System (ADS)

Shi, Xiaohui; Zeng, Weidong; Sun, Yu; Han, Yuanfei; Zhao, Yongqing; Guo, Ping

2015-04-01

Finding the quantitative microstructure-tensile properties correlations is the key to achieve performance optimization for various materials. However, it is extremely difficult due to their non-linear and highly interactive interrelations. In the present investigation, the lamellar microstructure features-tensile properties correlations of the Ti-6Al-4V alloy are studied using an error back-propagation artificial neural network (ANN-BP) model. Forty-eight thermomechanical treatments were conducted to prepare the Ti-6Al-4V alloy with different lamellar microstructure features. In the proposed model, the input variables are microstructure features including the α platelet thickness, colony size, and β grain size, which were extracted using Image Pro Plus software. The output variables are the tensile properties, including ultimate tensile strength, yield strength, elongation, and reduction of area. Fourteen hidden-layer neurons which can make ANN-BP model present the most excellent performance were applied. The training results show that all the relative errors between the predicted and experimental values are within 6%, which means that the trained ANN-BP model is capable of providing precise prediction of the tensile properties for Ti-6Al-4V alloy. Based on the corresponding relations between the tensile properties predicted by ANN-BP model and the lamellar microstructure features, it can be found that the yield strength decreases with increasing α platelet thickness continuously. However, the α platelet thickness exerts influence on the elongation in a more complicated way. In addition, for a given α platelet thickness, the yield strength and the elongation both increase with decreasing β grain size and colony size. In general, the β grain size and colony size play a more important role in affecting the tensile properties of Ti-6Al-4V alloy than the α platelet thickness.

Photocatalytic decomposition of N2O over TiO2/g-C3N4 photocatalysts heterojunction

NASA Astrophysics Data System (ADS)

Kočí, K.; Reli, M.; Troppová, I.; Šihor, M.; Kupková, J.; Kustrowski, P.; Praus, P.

2017-02-01

TiO2/g-C3N4 photocatalysts with the various TiO2/g-C3N4 weight ratios from 1:2 to 1:6 were fabricated by mechanical mixing in water suspension followed by calcination. Pure TiO2 was prepared by thermal hydrolysis and pure g-C3N4 was prepared from commercial melamine by thermal annealing at 620 °C. All the nanocomposites were characterized by X-ray powder diffraction, UV-vis diffuse reflectance spectroscopy, Raman spectroscopy, infrared spectroscopy, scanning electron microscopy, transmission electron microscopy, photoelectrochemical measurements and nitrogen physisorption. The prepared mixtures along with pure TiO2 and g-C3N4 were tested for the photocatalytic decomposition of nitrous oxide under UVC (λ = 254 nm), UVA (λ = 365 nm) and Vis (λ > 400 nm) irradiation. The TiO2/g-C3N4 nanocomposites showed moderate improvement compared to pure g-C3N4 but pure TiO2 proved to be a better photocatalyst under UVC irradiation. However, under UVA irradiation conditions, the photocatalytic activity of TiO2/g-C3N4 (1:2) nanocomposite exhibited an increase compared to pure TiO2. Nevertheless, further increase of g-C3N4 amount leads/led to a decrease in reactivity. These results are suggesting the nanocomposite with the optimal weight ratio of TiO2 and g-C3N4 have shifted absorption edge energy towards longer wavelengths and decreased the recombination rate of charge carriers compared to pure g-C3N4. This is probably due to the generation of heterojunction on the TiO2/g-C3N4 interface.

Infrared Spectroscopy of C_6D_6-Rg_n(n=1,2)

NASA Astrophysics Data System (ADS)

George, Jobin; Yousefi, Mahdi; Rezaei, Mojtaba; McKellar, Bob; Moazzen-Ahmadi, Nasser

2014-06-01

Benzene-noble gas complexes were one of the earliest topics of interest in spectroscopic investigation of van der Waals (vdW) complexes. Smalley et al. observed C_6H_6-(He)1,2 vdW complexes in the late 1970s by means of electronic spectroscopy. A recent study on the same species was done by M. Hayashi et al. Here, we present the infrared observation of C_6D_6-Rg_n (n=1,2) with the rare gas being He, Ne, or Ar, in the regions of νb{12} fundamental band of C_6D_6 (˜2289 wn) and the νb{2} + νb{13} combination band (˜2275 wn) which are coupled by a Fermi resonance. The spectra were observed at a resolution of 60 MHz using a tunable optical parametric oscillator to probe a pulsed supersonic-jet expansion from a slit nozzle. In the case of C_6D_6-Rg dimers, the spectra were assigned to a symmetric top with C6v symmetry with the rare gas atom being located on the C6 symmetry axis. To observe C_6D_6-Rg_2 trimers, the nozzle was cooled using a closed-cycle methanol refrigerator and the spectra were simulated with a rotational temperature of 1.3K. The spectra of the C_6D_6-Rg_2 trimers were in agreement with a D6h symmetry structure, where the rare gas atoms are positioned above and below the C_6D_6 plane. Data analysis and observation are presently ongoing. S. M. Beck, M. G. Liverman, D. L. Monts and R. E. Smalley, J. Chem. Phys. 70, 232 (1979). M. Hayashi, Y. Ohshima, Chem. Phys. 419, 131 (2013).

Wear studies on plasma-sprayed Al2O3 and 8mole% of Yttrium-stabilized ZrO2 composite coating on biomedical Ti-6Al-4V alloy for orthopedic joint application

PubMed Central

Ganapathy, Perumal; Manivasagam, Geetha; Rajamanickam, Asokamani; Natarajan, Alagumurthi

2015-01-01

This paper presents the wear characteristics of the composite ceramic coating made with Al2O3-40wt%8YSZ on the biomedical grade Ti-6Al-4V alloy (grade 5) used for total joint prosthetic components, with the aim of improving their tribological behavior. The coatings were deposited using a plasma spraying technique, and optimization of plasma parameters was performed using response surface methodology to obtain dense coating. The tribological behaviors of the coated and uncoated substrates were evaluated using a ball-on-plate sliding wear tester at 37°C in simulated body-fluid conditions. The microstructure of both the titanium alloy and coated specimen were examined using an optical microscope and scanning electron microscope. The hardness of the plasma-sprayed alumina–zirconia composite coatings was 2.5 times higher than that of the Ti-6Al-4V alloy, while the wear rate of Ti-6Al-4V alloy was 253 times higher than that of the composite-coated Ti-6Al-4V alloy. The superior wear resistance of the alumina–zirconia coated alloy is attributed to its enhanced hardness and intersplat bonding strength. Wear-track examination showed that the predominant wear mechanism of Ti-6Al-4V alloy was abrasive and adhesive wear, whereas, in the case of alumina–zirconia composite coated alloy, the wear was dominated by microchipping and microcracking. PMID:26491323

Improved organic p-i-n type solar cells with n-doped fluorinated hexaazatrinaphthylene derivatives HATNA-F{sub 6} and HATNA-F{sub 12} as transparent electron transport material

DOE Office of Scientific and Technical Information (OSTI.GOV)

Selzer, Franz, E-mail: franz.selzer@iapp.de; Falkenberg, Christiane, E-mail: Christiane.Falkenberg@heliatek.com; Leo, Karl, E-mail: karl.leo@iapp.de

2014-02-07

We study new electron transport materials (ETM) to replace the reference material C{sub 60} in p-i-n type organic solar cells. A comprehensive material characterization is performed on two fluorinated hexaazatrinaphthylene derivatives, HATNA-F{sub 6} and HATNA-F{sub 12}, to identify the most promising material for the application in devices. We find that both HATNA derivatives are equally able to substitute C{sub 60} as ETM as they exhibit large optical energy gaps, low surface roughness, and sufficiently high electron mobilities. Furthermore, large electron conductivities of 3.5×10{sup −5} S/cm and 2.0×10{sup −4} S/cm are achieved by n-doping with 4 wt. % W{sub 2}(hpp){sub 4}. HOMO levels of (7.72 ± 0.05) eVmore » and (7.73 ± 0.05) eV are measured by ultraviolet photoelectron spectroscopy and subsequently used for estimating LUMO values of (4.2 ± 0.8) eV and (4.3 ± 0.8) eV. Both fluorinated HATNA derivatives are successfully applied in p-i-n type solar cells. Compared to identical reference devices comprising the standard material C{sub 60}, the power conversion efficiency (PCE) can be increased from 2.1 % to 2.4 % by using the new fluorinated HATNA derivatives.« less

Shuttling of nickel oxidation states in N4S2 coordination geometry versus donor strength of tridentate N2S donor ligands.

PubMed

Chatterjee, Sudip K; Roy, Suprakash; Barman, Suman Kumar; Maji, Ram Chandra; Olmstead, Marilyn M; Patra, Apurba K

2012-07-16

Seven bis-Ni(II) complexes of a N(2)S donor set ligand have been synthesized and examined for their ability to stabilize Ni(0), Ni(I), Ni(II) and Ni(III) oxidation states. Compounds 1-5 consist of modifications of the pyridine ring of the tridentate Schiff base ligand, 2-pyridyl-N-(2'-methylthiophenyl)methyleneimine ((X)L1), where X = 6-H, 6-Me, 6-p-ClPh, 6-Br, 5-Br; compound 6 is the reduced amine form (L2); compound 7 is the amide analog (L3). The compounds are perchlorate salts except for 7, which is neutral. Complexes 1 and 3-7 have been structurally characterized. Their coordination geometry is distorted octahedral. In the case of 6, the tridentate ligand coordinates in a facial manner, whereas the remaining complexes display meridional coordination. Due to substitution of the pyridine ring of (X)L1, the Ni-N(py) distances for 1~5 < 3 < 4 increase and UV-vis λ(max) values corresponding to the (3)A(2g)(F)→(3)T(2g)(F) transition show an increasing trend 1~5 < 2 < 3 < 4. Cyclic voltammetry of 1-5 reveals two quasi-reversible reduction waves that correspond to Ni(II)→Ni(I) and Ni(I)→Ni(0) reduction. The E(1/2) for the Ni(II)/Ni(I) couple decreases as 1 > 2 > 3 > 4. Replacement of the central imine N donor in 1 by amine 6 or amide 7 N donors reveals that complex 6 in CH(3)CN exhibits an irreversible reductive response at E(pc) = -1.28 V, E(pa) = +0.25 V vs saturated calomel electrode (SCE). In contrast, complex 7 shows a reversible oxidation wave at E(1/2) = +0.84 V (ΔE(p) = 60 mV) that corresponds to Ni(II)→Ni(III). The electrochemically generated Ni(III) species, [(L3)(2)Ni(III)](+) is stable, showing a new UV-vis band at 470 nm. EPR measurements have also been carried out.

Effect of SiC interlayer between Ti6Al4V alloy and hydroxyapatite films.

PubMed

Azem, Funda Ak; Birlik, Isil; Braic, Viorel; Toparli, Mustafa; Celik, Erdal; Parau, Anca; Kiss, Adrian; Titorencu, Irina; Vladescu, Alina

2015-04-01

Bioactive coatings are frequently used to improve the osseointegration of the metallic implants used in dentistry or orthopaedics. Among different types of bioactive coatings, hydroxyapatite (Ca10(PO4)6(OH)2) is one of the most extensively used due to its chemical similarities to the components of bones and teeth. In this article, production and characterization of hydroxyapatite films deposited on Ti6Al4V alloy prepared by magnetron sputtering were reported. Besides, SiC was deposited on substrate surface to study the interlayer effect. Obtained coatings were annealed at 600 °C for 30 and 120 min in a mixed atmosphere of N2 + H2O vapours with the heating rate of 12 °C min(-1). The effects of SiC interlayer and heat treatment parameters on the structural, mechanical and corrosion properties were investigated. After heat treatment process, the crystalline hydroxyapatite was obtained. Additionally, cell viability tests were performed. The results show that the presence of the SiC interlayer contributes a decrease in surface roughness and improves the mechanical properties and corrosion performance of the hydroxyapatite coatings. Biological properties were not affected by the presence of the SiC interlayer. © IMechE 2015.

Ultrathin g-C3N4 films supported on Attapulgite nanofibers with enhanced photocatalytic performance

NASA Astrophysics Data System (ADS)

Xu, Yongshuai; Zhang, Lili; Yin, Minghui; Xie, Dengyu; Chen, Jiaqi; Yin, Jingzhou; Fu, Yongsheng; Zhao, Pusu; Zhong, Hui; Zhao, Yijiang; Wang, Xin

2018-05-01

A novel visible-light-responsive photocatalyst is fabricated by introducing g-C3N4 ultrathin films onto the surface of attapulgite (ATP) via a simple in-situ depositing technique, in which ATP was pre-grafted using (3-Glycidyloxypropyl) trimethoxysilane (KH560) as the surfactant. A combination of XRD, FT-IR, BET, XPS, UV-vis, TEM and SEM techniques are utilized to characterize the composition, morphology and optical properties of the products. The results show that with the help of KH560, g-C3N4 presented as ultrathin layer is uniformly loaded onto the surface of ATP by forming a new chemical bond (Sisbnd Osbnd C). Comparing with g-C3N4 and ATP, ATP/g-C3N4 exhibits remarkably enhanced visible-light photocatalytic activity in degradation of methyl orange (MO) because of its high surface area, appropriate band gap and the synergistic effect between g-C3N4 and ATP. To achieve the best photocatalyst, the ratio of g-C3N4 was adjusted by controlling the mass portion between ATP-KH560 and melamine (r = m (ATP-KH560)/m (melamine)). The highest decomposition rate of methyl orange (MO) was 96.06% when r = 0.5 and this degradation efficiency remained unchanged after 4 cycles, which is 10 times as that of pure g-C3N4 particles. Possible photocatalytic mechanism is presented.

Wear Resistance Enhancement of Ti-6Al-4 V Alloy by Applying Zr-Modified Silicide Coatings

NASA Astrophysics Data System (ADS)

Li, Xuan; Hu, Guangzhong; Tian, Jin; Tian, Wei; Xie, Wenling; Li, Xiulan

2018-03-01

Zr-modified silicide coatings were prepared on Ti-6Al-4 V alloy by pack cementation process to enhance its wear resistance. The microstructure and wear properties of the substrate and the coatings were comparatively investigated using GCr15 and Al2O3 as the counterparts under different sliding loads. The obtained Zr-modified silicide coating had a multilayer structure, consisting of a thick (Ti, X)Si2 (X represents Al, Zr and V elements) outer layer, a TiSi middle layer and a Ti5Si4 + Ti5Si3 inner layer. The micro-hardness of the coating was much higher than the substrate and displayed a decrease tendency from the coating surface to the interior. Sliding against either GCr15 or Al2O3 balls, the coatings showed superior anti-friction property to the Ti-6Al-4 V alloy, as confirmed by its much lower wear rate under each employed sliding condition.

Preventing structural degradation from Na3V2(PO4)3 to V2(PO4)3: F-doped Na3V2(PO4)3/C cathode composite with stable lifetime for sodium ion batteries

NASA Astrophysics Data System (ADS)

Chen, Yanjun; Xu, Youlong; Sun, Xiaofei; Zhang, Baofeng; He, Shengnan; Li, Long; Wang, Chao

2018-02-01

A prospective NASICON-type F-doped Na3V2(PO4)2.93F0.07/C (F-0.07-NVP/C) composite is synthesized by a solid-state reaction method. F-doping can restrain the structural degradation from Na3V2(PO4)3 to V2(PO4)3 and enhance the structural stability. Meanwhile, it can decrease the particle size to diminish the pathway of Na+ diffusion, which can increase ionic conductivity efficiently. The kinetic behavior is significantly improved and it is beneficial to reinforcing the electrochemical performance of F-doping composites. Compared with Undoped-NVP/C sample, F-0.07-NVP/C composite delivers a 113 mAh g-1 discharge capacity at 10 mA g-1, which is very close to the theoretical capacity (117 mAh g-1). As for cycle performance, a reversible capacity of 97.8 mAh g-1 can be obtained and it retains 86% capacity after 1000 cycles at 200 mA g-1. F-0.07-NVP/C composite presents the highest DNa+ (2.62 × 10-15 cm2s-1), two orders of magnitude higher than the undoped sample (4.8 × 10-17 cm2s-1). This outstanding electrochemical performance is ascribed to the synergetic effect from improved kinetic behavior and enhanced structural stability due to F-doping. Hence, the F-doped composite would be a promising cathode material in SIB for energy storage and conversion.

[Effect of KH2PO4 on the odonto- and osteogenic differentiation potential of human stem cells from apical papillae].

PubMed

Wang, Yan-ping; Wu, Jin-tao; Wang, Zi-lu; Zheng, Yang-yu; Zhang, Guang-dong; Yu, Jin-hua

2013-01-01

To determine the effects of KH2PO4 on the odonto- and osteogenic differentiation potential of human stem cells from apical papillae (SCAP) in vitro. SCAP were isolated and cultured respectively in alpha minimum essential medium (α-MEM) or α-MEM containing 1.8 mmol/L KH2PO4. Alkaline phosphatase (ALP) activity, alizarin red staining, real-time reverse transcription polymerase chain reaction (RT-PCR) and Western blotting were used to examine the odonto and osteogenic potential of SCAP in the two media. SCAP cultured in α-MEM containing 1.8 mmol/L KH2PO4 exhibited a higher ALP activity [(0.370 ± 0.013) Sigma unit×min(-1)×mg(-1)] at day 3 than control group [(0.285 ± 0.008) Sigma unit×min(-1)×mg(-1)] and KH2PO4-treated SCAP formed more calcified nodules at day 5 [(0.539 ± 0.007) µg/g] and day 7 [(1.617 ± 0.042) µg/g] than those in normal medium [(0.138 ± 0.037) µg/g, P < 0.01]. The expression of odonto- and osteogenic markers were significantly up-regulated after the stimulation of KH2PO4 at day 3 and 7 respectively, as compared with control group. 1.8 mmol/L KH2PO4 can promote the odonto and osteogenic differentiation potential of human SCAP.

In vitro biocorrosion of Ti-6Al-4V implant alloy by a mouse macrophage cell line.

PubMed

Lin, Hsin-Yi; Bumgardner, Joel D

2004-03-15

Corrosion of implant alloys releasing metal ions has the potential to cause adverse tissue reactions and implant failure. We hypothesized that macrophage cells and their released reactive chemical species (RCS) affect the alloy's corrosion properties. A custom cell culture corrosion box was used to evaluate how cell culture medium, macrophage cells and RCS altered the Ti-6Al-4V corrosion behaviors in 72 h and how corrosion products affected the cells. There was no difference in the charge transfer in the presence (75.2 +/- 17.7 mC) and absence (62.3 +/- 18.8 mC) of cells. The alloy had the lowest charge transfer (28.2 +/- 4.1 mC) and metal ion release (Ti < 10 ppb, V < 2 ppb) with activated cells (releasing RCS) compared with the other two conditions. This was attributed to an enhancement of the surface oxides by RCS. Metal ion release was very low (Ti < 20 ppb, V < 10 ppb) with nonactivated cells and did not change cell morphology, viability, and NO and ATP release compared with controls. However, IL-1beta released from the activated cells and the proliferation of nonactivated cells were greater on the alloy than the controls. In summary, macrophage cells and RCS reduced the corrosion of Ti-6Al-4V alloys as hypothesized. These data are important in understanding host tissue-material interactions. Copyright 2004 Wiley Periodicals, Inc. J Biomed Mater Res 68A: 717-724, 2004

The Role of Microtexture on the Fatigue Behavior of an alpha + beta Titanium Alloy, Ti-6Al-2Sn-4Zr-6Mo (Preprint)

DTIC Science & Technology

2011-03-01

Hall. Fatigue crack initiation in alpha-beta titanium alloys, International Journal of Fatigue, 31 (Suppl. 1), (1997) S23–S37. [ 4 ] G. Lutjering...Power Research Institute - October 1983. [ 6 ] F. Larson, A. Zarkades. Properties of Textured Titanium Alloys, MCIC Report - MCIC·74- 20 – Metals and...Figure 3 and 4 . Table II. The cycle count and relative rankings of fatigue crack growth rates measured from the cracks shown in Figure 5 and 6

Characteristics of surface modified Ti-6Al-4V alloy by a series of YAG laser irradiation

NASA Astrophysics Data System (ADS)

Zeng, Xian; Wang, Wenqin; Yamaguchi, Tomiko; Nishio, Kazumasa

2018-01-01

In this study, a double-layer Ti (C, N) film was successfully prepared on Ti-6Al-4V alloy by a series of YAG laser irradiation in nitrogen atmosphere, aiming at improving the wear resistance. The effects of laser irradiation pass upon surface chemical composition, microstructures and hardness were investigated. The results showed that the surface chemicals were independent from laser irradiation pass, which the up layer of film was a mixture of TiN and TiC0.3N0.7, and the down layer was nitrogen-rich α-Ti. Both the surface roughness and hardness increased as raising the irradiation passes. However, surface deformation and cracks happened in the case above 3 passes' irradiation. The wear resistance of laser modified sample by 3 passes was improved approximately by 37 times compared to the as received substrate. Moreover, the cytotoxic V ion released from laser modified sample was less than that of as received Ti-6Al-4V alloy in SBF, suggesting the potentiality of a new try to modify the sliding part of Ti-based hard tissue implants in future biomedical application.

The influence of temperature on fatigue-crack growth in a mill annealed Ti-6Al-4V alloy

NASA Technical Reports Server (NTRS)

Wei, R. P.; Ritter, D. L.

1972-01-01

To understand the influence temperature on the rate of fatigue crack growth in high strength metal alloys, constant load amplitude, fatigue crack growth experiments were carried out using a 1/4-inch-thick (6.35 mm) mill annealed Ti-6Al-4V alloy plate as a model material. The rates of fatigue crack growth were determined as a function of temperature, ranging from room temperature to about 290 C (or, about 550 F/563K) and as a function of the crack tip stress intensity factor in a dehumidified high purity argon environment. Limited correlative experiments indicate that dehumidified oxygen and hydrogen have no effect on the rate of fatigue crack growth in this alloy, while distilled water increased the rate of crack growth slightly in the range tested. Companion fractographic examinations suggest that the mechanisms for fatigue crack growth in the various environments are essentially the same.

Shot peening for Ti-6Al-4V alloy compressor blades

NASA Technical Reports Server (NTRS)

Carek, Gerald A.

1987-01-01

A text program was conducted to determine the effects of certain shot-peening parameters on the fatigue life of the Ti-6Al-4V alloys as well as the effect of a demarcation line on a test specimen. This demarcation line, caused by an abrupt change from untreated surface to shot-peened surface, was thought to have caused the failure of several blades in a multistage compressor at the NASA Lewis Research Center. The demarcation line had no detrimental effect upon bending fatigue specimens tested at room temperature. Procedures for shot peening Ti-6Al-4V compressor blades are recommended for future applications.

(C6N2H16)[Co(H2O)6](SO4)2.2H2O: A new hybrid material based on sulfate templated by diprotonated trans-1,4-diaminocyclohexane

NASA Astrophysics Data System (ADS)

Hamdi, N.; Ngopoh, F. A. I.; da Silva, I.; El Bali, B.; Lachkar, M.

2018-03-01

Employing trans-1,4-diaminocyclohexane (DACH) as template, the new hybrid sulphate (C6N2H16)[Co(H2O)6](SO4)2.2H2O was prepared in solution. Single-crystal X-ray diffraction analysis shows that it crystallizes in the monoclinic system (S.G.: P 21/n), with the following unit-cell parameters (Å,°): a = 6.2897(2), b = 12.3716(6), c = 13.1996(4), β = 98.091(3) V = 1016.89(7) Å3, Z = 4. Its 3D crystal structure is made upon isolated [Co(H2O)6] octahedra, regular [SO4] tetrahedra, protonated DACH and free H2O molecules, which interact through N-H···O and O-H···O hydrogen bonds. The Fourier transform infrared result exhibits bands corresponding to the vibrations of DACH, sulfate group and water molecules. The thermal decomposition of the phase consists mainly in the loss of the organic moiety and one sulfate group, leading thus to the formation of anhydrous cobalt sulfate.

Microstructural Influence on Mechanical Properties in Plasma Microwelding of Ti6Al4V Alloy

NASA Astrophysics Data System (ADS)

Baruah, M.; Bag, S.

2016-11-01

The complexity of joining Ti6Al4V alloy enhances with reduction in sheet thickness. The present work puts emphasis on microplasma arc welding (MPAW) of 500-μm-thick Ti6Al4V alloy in butt joint configuration. Using controlled and regulated arc current, the MPAW process is specifically designed to use in joining of thin sheet components over a wide range of process parameters. The weld quality is assessed by carefully controlling the process parameters and by reducing the formation of oxides. The combined effect of welding speed and current on the weld joint properties is evaluated for joining of Ti6Al4V alloy. The macro- and microstructural characterizations of the weldment by optical microscopy as well as the analysis of mechanical properties by microtensile and microhardness test have been performed. The weld joint quality is affected by specifically designed fixture that controls the oxidation of the joint and introduces high cooling rate. Hence, the solidified microstructure of welded specimen influences the mechanical properties of the joint. The butt joint of titanium alloy by MPAW at optimal process parameters is of very high quality, without any internal defects and with minimum residual distortion.

In vitro assessments on bacterial adhesion and corrosion performance of TiN coating on Ti6Al4V titanium alloy synthesized by multi-arc ion plating

NASA Astrophysics Data System (ADS)

Lin, Naiming; Huang, Xiaobo; Zhang, Xiangyu; Fan, Ailan; Qin, Lin; Tang, Bin

2012-07-01

TiN coating was synthesized on Ti6Al4V titanium alloy surface by multi-arc ion plating (MIP) technique. Surface morphology, cross sectional microstructure, elemental distributions and phase compositions of the obtained coating were analyzed by means of scanning electron microscope (SEM), optical microscope (OM), glow discharge optical emission spectroscope (GDOES) and X-ray diffraction (XRD). Bacterial adhesion and corrosion performance of Ti6Al4V and the TiN coating were assessed via in vitro bacterial adhesion tests and corrosion experiments, respectively. The results indicated that continuous and compact coating which was built up by pure TiN with a typical columnar crystal structure has reached a thickness of 1.5 μm. This TiN coating could significantly reduce the bacterial adhesion and enhance the corrosion resistance of Ti6Al4V substrate.

Molybdeno-Aluminizing of Powder Metallurgy and Wrought Ti and Ti-6Al-4V alloys by Pack Cementation process

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tsipas, Sophia A., E-mail: stsipas@ing.uc3m.es; Go

conditions •External TiN and internal a Mo-rich layer on all alloy substrates •Titanium aluminides and Ti-Al mixed nitrides are formed on Ti-6Al-4V •The presence of Al and V alloying elements modifies the diffusion of Mo.« less

Laser Powder Cladding of Ti-6Al-4V α/β Alloy

PubMed Central

Al-Sayed Ali, Samar Reda; Hussein, Abdel Hamid Ahmed; Nofal, Adel Abdel Menam Saleh; Elgazzar, Haytham Abdelrafea; Sabour, Hassan Abdel

2017-01-01

Laser cladding process was performed on a commercial Ti-6Al-4V (α + β) titanium alloy by means of tungsten carbide-nickel based alloy powder blend. Nd:YAG laser with a 2.2-KW continuous wave was used with coaxial jet nozzle coupled with a standard powder feeding system. Four-track deposition of a blended powder consisting of 60 wt % tungsten carbide (WC) and 40 wt % NiCrBSi was successfully made on the alloy. The high content of the hard WC particles is intended to enhance the abrasion resistance of the titanium alloy. The goal was to create a uniform distribution of hard WC particles that is crack-free and nonporous to enhance the wear resistance of such alloy. This was achieved by changing the laser cladding parameters to reach the optimum conditions for favorable mechanical properties. The laser cladding samples were subjected to thorough microstructure examinations, microhardness and abrasion tests. Phase identification was obtained by X-ray diffraction (XRD). The obtained results revealed that the best clad layers were achieved at a specific heat input value of 59.5 J·mm−2. An increase by more than three folds in the microhardness values of the clad layers was achieved and the wear resistance was improved by values reaching 400 times. PMID:29036935

Laser Powder Cladding of Ti-6Al-4V α/β Alloy.

PubMed

Al-Sayed Ali, Samar Reda; Hussein, Abdel Hamid Ahmed; Nofal, Adel Abdel Menam Saleh; Hasseb Elnaby, Salah Elden Ibrahim; Elgazzar, Haytham Abdelrafea; Sabour, Hassan Abdel

2017-10-15

Laser cladding process was performed on a commercial Ti-6Al-4V (α + β) titanium alloy by means of tungsten carbide-nickel based alloy powder blend. Nd:YAG laser with a 2.2-KW continuous wave was used with coaxial jet nozzle coupled with a standard powder feeding system. Four-track deposition of a blended powder consisting of 60 wt % tungsten carbide (WC) and 40 wt % NiCrBSi was successfully made on the alloy. The high content of the hard WC particles is intended to enhance the abrasion resistance of the titanium alloy. The goal was to create a uniform distribution of hard WC particles that is crack-free and nonporous to enhance the wear resistance of such alloy. This was achieved by changing the laser cladding parameters to reach the optimum conditions for favorable mechanical properties. The laser cladding samples were subjected to thorough microstructure examinations, microhardness and abrasion tests. Phase identification was obtained by X-ray diffraction (XRD). The obtained results revealed that the best clad layers were achieved at a specific heat input value of 59.5 J·mm -2 . An increase by more than three folds in the microhardness values of the clad layers was achieved and the wear resistance was improved by values reaching 400 times.

Microstructure and Corrosion Behavior of Laser Synthesized Cobalt Based Powder on Ti-6Al-4V

NASA Astrophysics Data System (ADS)

Adesina, O. S.; Popoola, A. P. I.; Pityana, S. L.; Oloruntoba, D. T.

2018-05-01

The corrosion behavior of titanium alloys when used for various dynamic offshore components has been a major concern of titanium drilling risers in deepwater energy extraction. A way of achieving specified requirement is the development of coatings suitable to protect the base material against corrosion. In this work, laser cladding technique which is known as a leading edge due to its distinctive properties and outcomes was used in synthesizing Co-based powder on titanium alloy. The processing parameters used were laser power of 900W; scan speed of 0.6 to 1.2 m/min; powderfeedrate1.0g/min;beamspotsize3mm;gasflowrate1.2L/min.The effects of cobalt addition and laser parameters on corrosion behavior of laser clad Ti6AL4V coating in 0.5M sulfuric medium were investigated using linear potentiodynamic polarization. The changes in microstructure and corrosion behavior were analyzed using scanning electron microscopy (SEM) while the X –ray diffraction (XRD) indicates the intermetallics in the coatings. Results showed that the coatings displayed good metallurgical bonding with dendritic formations between the coatings and the substrate. The anodic current density increased with lower scan speed. However, the corrosion current densities of laser-clad samples were lower than Ti6Al4V alloy.

Corrosion kinetics and topography analysis of Ti-6Al-4V alloy subjected to different mouthwash solutions.

PubMed

Faverani, Leonardo Perez; Barao, Valentim Adelino Ricardo; Pires, Maria Flávia Araújo; Yuan, Judy Chia-Chun; Sukotjo, Cortino; Mathew, Mathew T; Assunção, Wirley Gonçalves

2014-10-01

This study evaluated the corrosion kinetics and surface topography of Ti-6Al-4V alloy exposed to mouthwash solutions (0.12% chlorhexidine digluconate, 0.053% cetylpyridinium chloride and 3% hydrogen peroxide) compared to artificial saliva (pH6.5) (control). Twenty Ti-6Al-4V alloy disks were used and divided into 4 groups (n=5). For the electrochemical assay, standard tests as open circuit potential and electrochemical impedance spectroscopy (EIS) were applied at baseline, 7 and 14days after immersion in the solutions. Scanning electron microscopy, atomic force microscopy and profilometry (average roughness - Ra) were used for surface characterization. Total weight loss of disks was calculated. Data were analyzed by ANOVA and Bonferroni's test (α=0.05). Hydrogen peroxide generated the lowest polarization resistance (Rp) values for all periods (P<0.05). For the capacitance (Cdl), similar results were observed among groups at baseline (P=0.098). For the 7 and 14-day periods, hydrogen peroxide promoted the highest Cdl values (P<0.0001). Hydrogen peroxide promoted expressive superficial changes and greater Ra values than the others (P<0.0001). It could be concluded that solutions containing cetylpyridinium chloride and chlorhexidine digluconate might be the mouthwashes of choice during the post-operatory period of dental implants. However, hydrogen peroxide is counter-indicated in these situations. Further studies evaluating the dynamics of these solutions (tribocorrosion) and immersing the disks in daily cycles (two or three times a day) to mimic a clinical situation closest to the application of mouthwashes in the oral cavity are warranted to prove our results. Copyright © 2014 Elsevier B.V. All rights reserved.

Low Temperature Superplasticity of Ti-6Al-4V Processed by Warm Multidirectional Forging (Preprint)

DTIC Science & Technology

2012-07-01

microstructure in the two-phase titanium alloy Ti- 6Al - 4V . A microstructure with a grain size of 135 nm was attained, enabling low-temperature...the / titanium alloy Ti- 6Al - 4V [3]. The great interest in microstructure refinement is associated with significantly reduced superplastic (SP...consisted of the / titanium alloy Ti- 6Al - 4V with a nominal composition (in weight pct.) of 6.3 Al, 4.1 V, 0.18 Fe, 0.03 Si, 0.02 Zr, 0.01 C, 0.18 O, 0.01 N

[JAK2 V617F and exon 12 genetic variations in Korean patients with BCR/ABL1-negative myeloproliferative neoplasms].

PubMed

Kim, Jeong Tae; Cho, Yong Gon; Choi, Sam Im; Lee, Young Jin; Kim, Hye Ran; Jang, Sook Jin; Moon, Dae Soo; Park, Young Jin; Park, Geon

2010-12-01

JAK2 genetic variations have been described in a high proportion of patients with BCR/ABL1-negative myeloproliferative neoplasms (MPN). This study was designed to analyze the frequencies of JAK2 V617F and exon 12 variations, and their correlations with clinical characteristics of Korean patients with BCR/ABL1-negative MPN. We examined a total of 154 patients with BCR/ABL1-negative MPN that included 24, 26, 89, and 15 patients with polycythemia vera (PV), primary myelofibrosis (PMF), essential thrombocythemia (ET), and unclassified myeloproliferative neoplasms (MPNU), respectively. We performed allele-specific PCR to detect V617F in all BCR/ABL1-negative patients, and performed direct sequencing to detect exon 12 variations in 47 V617F-negative MPN patients. JAK2 c.1641+179_183del5 variation was detected by restriction fragment length polymorphism assay in 176 healthy subjects. JAK2 V617F was detected in 91 patients (59.1%): PV (91.6%), PMF (46.2%), ET (52.8%), and MPNU (66.7%). In V617F-negative MPN patients, no mutations were found in exon 12. The c.1641+179_183del5 was detected in 68.1% of V617F-negative MPN patients and 45.4% of healthy subjects (P=0.008). JAK2 V617F was closely correlated with age and leukocytosis in BCR/ABL1-negative MPN patients (P<0.05). However, c.1641+179_183del5 was not related to age, sex, or complete blood cell count parameters in V617F-negative MPN patients and healthy subjects. The c.1641+179_183del5 was associated with an increased odds ratio for MPN (odds ratio, 2.6; 95% confidences interval, 1.3-5.1; P=0.007). Frequencies of V617F are similar to reported results. JAK2 exon 12 mutations may be rare and c.1641+179_183del5 may influence the occurrence of MPN in Korean patients with V6 17F-negative MPN.

Vibrational spectra of Mg2KH(XO4)2·15H2O (X = P, As) containing dimer units [H(XO4)2

NASA Astrophysics Data System (ADS)

Stefov, V.; Koleva, V.; Najdoski, M.; Abdija, Z.; Cahil, A.; Šoptrajanov, B.

2017-08-01

Infrared and Raman spectra of Mg2KH(PO4)2·15H2O and Mg2KH(AsO4)2·15H2O and a series of their partially deuterated analogues were recorded and analyzed. Compounds of the type Mg2KH(XO4)2·15H2O (X = P, As) are little-known and a rare case of phosphate and arsenate salts containing dimer units [H(XO4)2] in the crystal structure. The analysis of their IR spectra (recorded at room and liquid nitrogen temperature) and Raman spectra showed that the spectral characteristics of the XO4 groups connected in a dimer through a proton are not consistent with the presence of X-O-H covalent linkage and C1 crystallographic symmetry of the XO4 groups. The observation of a singlet Raman band for the ν1(XO4) mode as well as the absence of substantial splitting of the ν3(XO4) modes and IR activation of the ν1(XO4) mode suggest that the dimer units [H(XO4)2] are most probably symmetric rather than non-symmetric ones. It was found that, in the vibrational spectra of Mg2KH(AsO4)2·15H2O, both ν1(AsО4) and ν3(AsО4) modes have practically the same wavenumber around 830 cm- 1. It was also established that the ν4(PО4) modes in the deuterated hydrogendiphosphate compound are strongly coupled, most probably with HDO and/or D2O librations. As a whole, the spectral picture of Mg2KH(XO4)2·15H2O (X = P, As) very much resembles that observed for the struvite type compounds with the formula KMgXO4·6H2O (X = P, As) which do not contain X-OH groups. This means that vibrations of the dimers [H(XO4)2] play a relatively small part in the general spectral appearance.

Thermodynamic analysis of binary Fe{sub 85}B{sub 15} to quinary Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} alloys for primary crystallizations of α-Fe in nanocrystalline soft magnetic alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Takeuchi, A., E-mail: takeuchi@imr.tohoku.ac.jp; Zhang, Y.; Takenaka, K.

2015-05-07

Fe-based Fe{sub 85}B{sub 15}, Fe{sub 84}B{sub 15}Cu{sub 1}, Fe{sub 82}Si{sub 2}B{sub 15}Cu{sub 1}, Fe{sub 85}Si{sub 2}B{sub 12}Cu{sub 1}, and Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} (NANOMET{sup ®}) alloys were experimental and computational analyzed to clarify the features of NANOMET that exhibits high saturation magnetic flux density (B{sub s}) nearly 1.9 T and low core loss than conventional nanocrystalline soft magnetic alloys. The X-ray diffraction analysis for ribbon specimens produced experimentally by melt spinning from melts revealed that the samples were almost formed into an amorphous single phase. Then, the as-quenched samples were analyzed with differential scanning calorimeter (DSC) experimentally for exothermicmore » enthalpies of the primary and secondary crystallizations (ΔH{sub x1} and ΔH{sub x2}) and their crystallization temperatures (T{sub x1} and T{sub x2}), respectively. The ratio ΔH{sub x1}/ΔH{sub x2} measured by DSC experimentally tended to be extremely high for the Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} alloy, and this tendency was reproduced by the analysis with commercial software, Thermo-Calc, with database for Fe-based alloys, TCFE7 for Gibbs free energy (G) assessments. The calculations exhibit that a volume fraction (V{sub f}) of α-Fe tends to increase from 0.56 for the Fe{sub 85}B{sub 15} to 0.75 for the Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} alloy. The computational analysis of the alloys for G of α-Fe and amorphous phases (G{sub α-Fe} and G{sub amor}) shows that a relationship G{sub α-Fe} ∼ G{sub amor} holds for the Fe{sub 85}Si{sub 2}B{sub 12}Cu{sub 1}, whereas G{sub α-Fe} < G{sub amor} for the Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} alloy at T{sub x1} and that an extremely high V{sub f} = 0.75 was achieved for the Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} alloy by including 2.8 at. % Si and 4.5 at. % P into α-Fe. These computational results indicate that the Fe{sub 85}Si

We are Family: the Conformations of 1-FLUOROALKANES, C_nH2n+1F (n = 2,3,4,5,6,7,8)

NASA Astrophysics Data System (ADS)

Obenchain, Daniel A.; Orellana, W.; Cooke, S. A.

2016-06-01

he pure rotational spectra of the n = 5, 6, 7, and 8 members of the 1-fluoroalkane family have been recorded between 7 GHz and 14 GHz using chirped pulse Fourier transform microwave spectroscopy. The spectra have been analyzed and results will be presented and compared with previous work on the n= 2, 3, and 4 members. The lowest energy conformer for all family members has the common feature that the fluorine is in a gauche position relative to the alkyl tail for which all other heavy atom dihedral angles, where appropriate, are 180 degrees. For the n = 3 and higher family members the second lowest energy conformer has all heavy atom dihedral angles equal to 180 degrees. For each family member transitions carried by both low energy conformers were observed in the collected rotational spectra. Quantum chemical calculations were performed and trends in the energy separations between these two common conformers will be presented as a function of chain length. Furthermore, longer chain lengths have been examined using only quantum chemical calculations and results will be presented. M. Hayashi, M. Fujitake, T. Inagusa, S. Miyazaki, J.Mol.Struct., 216, 9-26, 1990 W. Caminati, A. C. Fantoni, F. Manescalchi, F. Scappini, Mol.Phys., 64, 1089 ,1988 L. B. Favero, A. Maris, A. Degli Esposti, P. G. Favero, W. Caminati, G. Pawelke, Chem.Eur.J., 6(16), 3018-3025, 2000

Hot Deformation of Ti-6Al-4V Single-Colony Samples (Preprint)

DTIC Science & Technology

2008-02-01

Journal Article Preprint 4 . TITLE AND SUBTITLE HOT DEFORMATION OF Ti-6Al-4V SINGLE-COLONY SAMPLES (PREPRINT) 5a. CONTRACT NUMBER In-house 5b...GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 62102F 6 . AUTHOR(S) A.A. Salem (Universal Technology Corp.) S.L. Semiatin (AFRL/RXLMP) 5d. PROJECT...strength, corrosion resistance, and low density, Ti-6Al-4V is the most commonly used alpha/beta titanium alloy. It accounts for approximately 80

Micro-Raman observation on the H2PO4- association structures in a supersaturated droplet of potassium dihydrogen phosphate (KH2PO4)

NASA Astrophysics Data System (ADS)

Syed, Kamran Ajmal; Pang, Shu-Feng; Zhang, Yun; Zhang, Yun-Hong

2013-01-01

The efflorescence of an individual KH2PO4 droplet on Teflon substrate was investigated by micro-Raman spectroscopy. With the decrease of relative humidity (RH) from 98.0% to 73.0%, the KH2PO4 droplet lost water gradually and entered into supersaturated state, which was reflected by the area ratio between the water stretching band to the sum of νs-PO2 and νs-P(OH)2 bands of the H2PO4- (A_{H_2 O} /(A_{(ν _s -PO_2 } {+ A}_{ν _s -P(OH)_2 {)}} {)}). In 1.0 mol l-1 KH2PO4 solution, the νs-P(OH)2 and νs-PO2 bands appeared at 877 and 1077 cm-1. In the KH2PO4 droplet, the two bands shifted to 894 and 1039 cm-1 at 98.0% RH, to 899 and 1031 cm-1 at 89.6% RH, and then to 904 and 997 cm-1 at 73.0% RH. Moreover, the aggregation process between the H2PO4- ions was observed from the spectral characteristic of the νs-P(OH)2 band in the concentration process, including the transitions of the H2PO4- ions from monomer in bulk solutions (0.5-1.0 mol l-1) to possible dimers at 98.0% RH and then further to oligomers in the droplet with the RH decrease, which were indicated by the blueshift of the νs-P(OH)2 band and its full width at half-height as a function of the RH. When the RH reached at 72.0%, the anhydrous crystal was obtained. A strong peak appeared at 928 cm-1, implying that the four oxygen atoms of the H2PO4- were all hydrogen bonding through the bridge hydrogen atoms to get the extensive hydrogen-bonded network structure of the H2PO4- association, leading to the symmetric increase of the H2PO4- ion from C2v in dilute solution to quasi-Td in the anhydrous crystal.

Effect of surface nanostructuring on corrosion behavior of Ti–6Al–4V alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, Sanjeev, E-mail: sanjeevphy85@gmail.com; Ch

Surface nanostructure was induced in Ti–6Al–4V alloy by ultrasonic shot peening (USSP) for different durations, from 15 s to 30 min, and the modified surface was characterized by optical, scanning, atomic force and transmission electron microscopy. Nano size grains were observed to form on surface of the USSPed samples and surface roughness was increased with duration of USSP. Polarization study was carried out in Ringer's solution to examine the effect of surface nanostructuring on corrosion resistance of this alloy. Electrochemical corrosion was carried out for all the USSPed specimens as well as the non-USSPed sample in Ringer's solution. Surface morphologymore » of the corroded samples was examined by SEM. In general, corrosion resistance was improved by USSP up to the duration of 15 min and there was maximum improvement in the specimen USSPed for 1 min. However, corrosion resistance was drastically reduced due to USSP for long duration of 30 min. - Highlights: •Nanostructure was induced by USSP on alloy Ti–6Al–4V of about 28 nm. •Grain refinement was confirmed by XRD and TEM. •USSP is an effective technique for the improvement in corrosion resistance. •Nanostructured surface promotes formation of protective surface layer of TiO{sub 2}.« less

Structural evolution of atomically precise thiolated bimetallic [Au(12+n)Cu₃₂(SR)(30+n)]⁴⁻ (n = 0, 2, 4, 6) nanoclusters.

PubMed

Yang, Huayan; Wang, Yu; Yan, Juanzhu; Chen, Xi; Zhang, Xin; Häkkinen, Hannu; Zheng, Nanfeng

2014-05-21

A series of all-thiol stabilized bimetallic Au-Cu nanoclusters, [Au(12+n)Cu32(SR)(30+n)](4-) (n = 0, 2, 4, 6 and SR = SPhCF3), are successfully synthesized and characterized by X-ray single-crystal analysis and density functional theory (DFT) calculations. Each cluster consists of a Keplerate two-shell Au12@Cu20 core protected by (6 - n) units of Cu2(SR)5 and n units of Cu2Au(SR)6 (n = 0, 2, 4, 6) motifs on its surface. The size and structural evolution of the clusters is atomically controlled by the Au precursors and countercations used in the syntheses. The clusters exhibit similar optical absorption properties that are not dependent on the number of surface Cu2Au(SR)6 units. Although DFT suggests an electronic structure with an 18-electron superatom shell closure, the clusters display different thermal stabilities. [Au(12+n)Cu32(SR)(30+n)](4-) clusters with n = 0 and 2 are more stable than those with n = 4 and 6. Moreover, an oxidation product of the clusters, [Au13Cu12(SR)20](4-), is structurally identified to gain insight into how the clusters are oxidized.

Stress-corrosion crack-growth study of titanium alloy Ti-6Al-4V exposed to freon PCA and nitrogen tetroxide MON-1

NASA Technical Reports Server (NTRS)

Bjorklund, R. A.

1983-01-01

An experimental fracture mechanics program was performed to determine the stress corrosion crack growth sensitivity of the propellant tank material, titanium alloy Ti-6Al-4V, for aerospace satellite applications involving long term exposure to Freon PCA and nitrogen tetroxide MON-1. Sustained load tests were made at a 49 C (120 F) constant temperature using thin gauge tensile test specimens containing semielliptical surface flaws. Test specimen types included parent metal, center of weld, and weld heat affected zone. It was concluded that Ti-6Al-4V alloy is not adversely affected in a stress environment when exposed to Freon PCA for 1000 hours followed by exposure to nitrogen tetroxide MON-1 for 2000 hours at stress levels up to 80% of the experimental critical plane strain stress intensity factor.

Optimization of preparation of NDV F Gene encapsulated in N-2-HACC-CMC nanoparticles

NASA Astrophysics Data System (ADS)

Li, S. S.; Zhang, Y.; Zhao, K.; Wang, X. H.

2018-01-01

In this study, the biodegradable materials N-2-hydroxypropyl trimethyl ammonium chloride chitosan (N-2-HACC) and N, O-carboxymethyl chitosan (CMC) are used as delivery carrier for the pVAX I -F(o)-C3d6. The optimal preparation condition is as follows: concentration of N-2-HACC is 1.0 mg/ml, concentration of CMC is 0.85 mg/ml, concentration of pVAX I -F(o)-C3d6 is 100 μg ml. The results show that the prepared N-2-HACC-CMC/pFDNA NPs have regular round shape, smooth surface and good dispersion, the particle size is 310 nm, Zeta potential is 50 mV, the entrapment efficiency is 92 %, the loading capacity is 51 % (n=3).

Enhanced visible light photocatalytic water reduction from a g-C 3N 4/SrTa 2O 6 heterojunction

DOE PAGES

Adhikari, Shiba P.; Hood, Zachary D.; Wang, Hui; ...

2017-06-02

In this paper, a new g-C 3N 4/SrTa 2O 6 heterojunction photocatalyst was designed and prepared by chimie douce (soft chemistry) method where carbon nitride (g-C 3N 4) was deposited over the metastable perovskite phase of SrTa 2O 6. The morphological study of the heterojunction using SEM and STEM revealed that g-C 3N 4 nanofibers are dispersed uniformly on the surface of SrTa 2O 6 plates leading to the intimate contact between them. The heterojunction could achieve a high and stable visible light photocatalytic H 2 generation of 137 mmol/h/mole of g-C 3N 4, which is much larger than themore » amount of hydrogen generated by one mole of pristine g-C 3N 4. Finally, a plausible mechanism for the observed enhanced photocatalytic activity for the heterojunction is proposed on the basis of effective charge separation of photogenerated electron-hole pairs, supported by band position calculations and photo-physical properties of g-C 3N 4 and SrTa 2O 6.« less

Enhanced visible light photocatalytic water reduction from a g-C 3N 4/SrTa 2O 6 heterojunction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adhikari, Shiba P.; Hood, Zachary D.; Wang, Hui

In this paper, a new g-C 3N 4/SrTa 2O 6 heterojunction photocatalyst was designed and prepared by chimie douce (soft chemistry) method where carbon nitride (g-C 3N 4) was deposited over the metastable perovskite phase of SrTa 2O 6. The morphological study of the heterojunction using SEM and STEM revealed that g-C 3N 4 nanofibers are dispersed uniformly on the surface of SrTa 2O 6 plates leading to the intimate contact between them. The heterojunction could achieve a high and stable visible light photocatalytic H 2 generation of 137 mmol/h/mole of g-C 3N 4, which is much larger than themore » amount of hydrogen generated by one mole of pristine g-C 3N 4. Finally, a plausible mechanism for the observed enhanced photocatalytic activity for the heterojunction is proposed on the basis of effective charge separation of photogenerated electron-hole pairs, supported by band position calculations and photo-physical properties of g-C 3N 4 and SrTa 2O 6.« less

Syntheses, crystal structures and Raman spectra of Ba(BF{sub 4})(PF{sub 6}), Ba(BF{sub 4})(AsF{sub 6}) and Ba{sub 2}(BF{sub 4}){sub 2}(AsF{sub 6})(H{sub 3}F{sub 4}); the first examples of metal salts containing simultaneously tetrahedral BF{sub 4}{sup -} and octahedral AF{sub 6}{sup -} anions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lozinsek, Matic; Bunic, Tina; Goreshnik, Evgeny, E-mail: evgeny.goreshnik@ijs.s

2009-10-15

In the system BaF{sub 2}/BF{sub 3}/PF{sub 5}/anhydrous hydrogen fluoride (aHF) a compound Ba(BF{sub 4})(PF{sub 6}) was isolated and characterized by Raman spectroscopy and X-ray diffraction on the single crystal. Ba(BF{sub 4})(PF{sub 6}) crystallizes in a hexagonal P6-bar2m space group with a=10.2251(4) A, c=6.1535(4) A, V=557.17(5) A{sup 3} at 200 K, and Z=3. Both crystallographically independent Ba atoms possess coordination polyhedra in the shape of tri-capped trigonal prisms, which include F atoms from BF{sub 4}{sup -} and PF{sub 6}{sup -} anions. In the analogous system with AsF{sub 5} instead of PF{sub 5} the compound Ba(BF{sub 4})(AsF{sub 6}) was isolated and characterized.more » It crystallizes in an orthorhombic Pnma space group with a=10.415(2) A, b=6.325(3) A, c=11.8297(17) A, V=779.3(4) A{sup 3} at 200 K, and Z=4. The coordination around Ba atom is in the shape of slightly distorted tri-capped trigonal prism which includes five F atoms from AsF{sub 6}{sup -} and four F atoms from BF{sub 4}{sup -} anions. When the system BaF{sub 2}/BF{sub 3}/AsF{sub 5}/aHF is made basic with an extra addition of BaF{sub 2}, the compound Ba{sub 2}(BF{sub 4}){sub 2}(AsF{sub 6})(H{sub 3}F{sub 4}) was obtained. It crystallizes in a hexagonal P6{sub 3}/mmc space group with a=6.8709(9) A, c=17.327(8) A, V=708.4(4) A{sup 3} at 200 K, and Z=2. The barium environment in the shape of tetra-capped distorted trigonal prism involves 10 F atoms from four BF{sub 4}{sup -}, three AsF{sub 6}{sup -} and three H{sub 3}F{sub 4}{sup -} anions. All F atoms, except the central atom in H{sub 3}F{sub 4} moiety, act as mu{sub 2}-bridges yielding a complex 3-D structural network. - Graphical abstract: The first three compounds, containing simultaneously tetrahedral BF{sub 4}{sup -} and octahedral AF{sub 6}{sup -} (A=P, As) anions have been synthesized and characterized by Raman spectroscopy and X-ray single crystal diffraction. In the system BaF{sub 2}/BF{sub 3}/PF{sub 5}/anhydrous hydrogen

First measurement of the 2.4 MeV and 2.9 MeV 6He three-cluster resonant states via the 3H(4He, pα)2n four-body reaction

NASA Astrophysics Data System (ADS)

Mandaglio, Giuseppe; Povoroznyk, Orest; Gorpinich, Olga K.; Jachmenjov, Olexiy O.; Anastasi, Antonio; Curciarello, Francesca; de Leo, Veronica; Mokhnach, Hanna V.; Ponkratenko, Oleg; Roznyuk, Yuri; Fazio, Giovanni; Giardina, Giorgio

2014-06-01

Two new low-lying 6He levels at excitation energies of about 2.4 MeV and 2.9 MeV were observed in the experimental investigation of the p-α coincidence spectra obtained by the 3H(4He, pα)2n four-body reaction at E4He beam energy of 27.2 MeV. The relevant E* peak energy and Γ energy width spectroscopic parameters for such 6He* excited states decaying into the α+n+n channel were obtained by analyzing the bidimensional (Ep, Eα) energy spectra. The present new result of two low-lying 6He* excited states above the 4He+2n threshold energy of 0.974 MeV is important for the investigation of the nuclear structure of neutron-rich light nuclei and also as a basic test for theoretical models in the study of the three-cluster resonance feature of 6He.

EPR spectra of Cu(2+) in KH(2)PO(4) single crystals.

PubMed

Biyik, Recep; Tapramaz, Recep

2008-01-01

Cu(2+) doped single crystals of KH(2)PO(4) were investigated using EPR technique at room temperature. The spectra of the complex contains large number of overlapping lines. Five sites are resolved and four of them are compatible with the tetragonal symmetry, and the fifth one belongs to an interstitial site. The results are discussed and compared with previous studies. Detailed investigation of the EPR spectra indicate that Cu(2+) substitute with K(+) ions. The principal values of the g and hyperfine tensors and the ground state wave function of Cu(2+) ions are obtained.

Tribocorrosion mechanisms of Ti6Al4V biomedical alloys in artificial saliva with different pHs

NASA Astrophysics Data System (ADS)

Licausi, M. P.; Igual Muñoz, A.; Amigó Borrás, V.

2013-10-01

Titanium and its alloys has been widely used for the design of dental implants because of its biocompatibility, mechanical properties and corrosion resistance. The powder-metallurgy process is a promising alternative to the casting fabrication process of titanium alloys for bone implants design as the porous structure mimics the natural bone structures, allowing the bone to grow into the pores which results in a better fixation of the artificial implant. However, under in vivo conditions the implants are subjected to tribocorrosion phenomenon, which consists in the degradation mechanisms due to the combined effect of wear and corrosion. The aim of this study is to evaluate the tribocorrosion behaviour of cast and sintered Ti6Al4V biomedical alloy for dental applications using the cast material as reference. Titanium samples were tested in artificial human saliva solution with three different pHs (3, 6, 9) and in an acidic saliva with 1000 ppm fluorides (AS-3-1000F-) by different electrochemical techniques (potentiodynamic curves, potentiostatic tests and tribo-electrochemical tests). Cast and sintered titanium alloys exhibit the same tribocorrosion mechanisms in AS independently of the pH which consists in plastic deformation with passive dissolution, but the addition of fluorides to the acidified solution changes the degradation mechanism towards active dissolution of the titanium alloys.

Highly efficient alkane oxidation catalyzed by [Mn(V)(N)(CN)4](2-). Evidence for [Mn(VII)(N)(O)(CN)4](2-) as an active intermediate.

PubMed

Ma, Li; Pan, Yi; Man, Wai-Lun; Kwong, Hoi-Ki; Lam, William W Y; Chen, Gui; Lau, Kai-Chung; Lau, Tai-Chu

2014-05-28

The oxidation of various alkanes catalyzed by [Mn(V)(N)(CN)4](2-) using various terminal oxidants at room temperature has been investigated. Excellent yields of alcohols and ketones (>95%) are obtained using H2O2 as oxidant and CF3CH2OH as solvent. Good yields (>80%) are also obtained using (NH4)2[Ce(NO3)6] in CF3CH2OH/H2O. Kinetic isotope effects (KIEs) are determined by using an equimolar mixture of cyclohexane (c-C6H12) and cyclohexane-d12 (c-C6D12) as substrate. The KIEs are 3.1 ± 0.3 and 3.6 ± 0.2 for oxidation by H2O2 and Ce(IV), respectively. On the other hand, the rate constants for the formation of products using c-C6H12 or c-C6D12 as single substrate are the same. These results are consistent with initial rate-limiting formation of an active intermediate between [Mn(N)(CN)4](2-) and H2O2 or Ce(IV), followed by H-atom abstraction from cyclohexane by the active intermediate. When PhCH2C(CH3)2OOH (MPPH) is used as oxidant for the oxidation of c-C6H12, the major products are c-C6H11OH, c-C6H10O, and PhCH2C(CH3)2OH (MPPOH), suggesting heterolytic cleavage of MPPH to generate a Mn═O intermediate. In the reaction of H2O2 with [Mn(N)(CN)4](2-) in CF3CH2OH, a peak at m/z 628.1 was observed in the electrospray ionization mass spectrometry, which is assigned to the solvated manganese nitrido oxo species, (PPh4)[Mn(N)(O)(CN)4](-)·CF3CH2OH. On the basis of the experimental results the proposed mechanism for catalytic alkane oxidation by [Mn(V)(N)(CN)4](2-)/ROOH involves initial rate-limiting O-atom transfer from ROOH to [Mn(N)(CN)4](2-) to generate a manganese(VII) nitrido oxo active species, [Mn(VII)(N)(O)(CN)4](2-), which then oxidizes alkanes (R'H) via a H-atom abstraction/O-rebound mechanism. The proposed mechanism is also supported by density functional theory calculations.

^2H(^18F,p)^19F Study at 6 MeV/u

NASA Astrophysics Data System (ADS)

Kozub, R. L.; Nesaraja, C. D.; Moazen, B. H.; Scott, J. P.; Bardayan, D. W.; Blackmon, J. C.; Gross, C. J.; Shapira, D.; Smith, M. S.; Batchelder, J. C.; Brune, C. R.; Champagne, A. E.; Sahin, L.; Cizewski, J. A.; Thomas, J. S.; Davinson, T.; Woods, P. J.; Greife, U.; Jewett, C.; Livesay, R. J.; Ma, Z.; Parker, P. D.

2003-04-01

The degree to which the (p,α) and (p,γ) reactions destroy ^18F at temperatures ˜1-4 x 10^8 K is important for understanding the synthesis of nuclei in nova explosions and for using ^18F as a monitor of nova mechanisms in gamma ray astronomy. The reactions are dominated by low-lying proton resonances near the ^18F+p threshold (E_x=6.411 MeV excitation energy in ^19Ne). To gain further information about these resonances, we have used the inverse ^18F(d,p)^19F neutron transfer reaction at the Holifield Radioactive Ion Beam Facility to selectively populate corresponding mirror states in ^19F. Proton angular distributions were measured for states in ^19F in the excitation energy range 0-9 MeV. Results and implications for the ^18F+p reactions and nuclear structure will be presented. ^1Supported by DOE. ^2ORNL is managed by UT-Battelle, LLC, for the USDOE.

Synthesis, characterization and cytotoxic activity of substituted benzyl iminoether Pt(II) complexes of the type cis- and trans-[PtCl2{E-N(H)=C(OMe)CH2-C6H4-p-R}2] (R=Me, OMe, F). X-ray structure of trans-[PtCl2{E-N(H)=C(OMe)CH2-C6H4-p-F}2].

PubMed

Mazzega Sbovata, Silvia; Bettio, Frazia; Marzano, Christine; Tassan, Augusto; Mozzon, Mirto; Bertani, Roberta; Benetollo, Franco; Michelin, Rino A

2008-04-01

New substituted benzyl iminoether derivatives of the type cis- and trans-[PtCl(2){E-N(H)C(OMe)CH(2)-C(6)H(4)-p-R}(2)] (R=Me (1a, 2a), OMe (3a, 4a), F (5a, 6a)) have been synthesized and characterized by elemental analyses, FT-IR spectroscopy and NMR techniques. The iminoether ligands are in the E configuration, which is stable in solution and in the solid state, as confirmed by the (1)H NMR data. Complex trans-[PtCl(2){E-N(H)C(OMe)CH(2)-C(6)H(4)-p-F}(2)] (6a) was also characterized by an X-ray diffraction study. Complexes 1a-6a have been tested against a panel of human tumor cell lines in order to evaluate their cytotoxic activity. cis-Isomers were significant more potent than the corresponding trans-isomers against all tumor cell lines tested; moreover, complexes 1a and 5a showed IC(50) values from about 2-fold to 6-fold lower than those exhibited by cisplatin, used as reference platinum anticancer drug.

A Comparison in Mechanical Properties of Cermets of Calcium Silicate with Ti-55Ni and Ti-6Al-4V Alloys for Hard Tissues Replacement

PubMed Central

Pramanik, Sumit; Shirazi, Seyed Farid Seyed; Mehrali, Mehdi; Yau, Yat-Huang; Abu Osman, Noor Azuan

2014-01-01

This study investigated the impact of calcium silicate (CS) content on composition, compressive mechanical properties, and hardness of CS cermets with Ti-55Ni and Ti-6Al-4V alloys sintered at 1200°C. The powder metallurgy route was exploited to prepare the cermets. New phases of materials of Ni16Ti6Si7, CaTiO3, and Ni31Si12 appeared in cermet of Ti-55Ni with CS and in cermet of Ti-6Al-4V with CS, the new phases Ti5Si3, Ti2O, and CaTiO3, which were emerged during sintering at different CS content (wt%). The minimum shrinkage and density were observed in both groups of cermets for the 50 and 100 wt% CS content, respectively. The cermets with 40 wt% of CS had minimum compressive Young's modulus. The minimum of compressive strength and strain percentage at maximum load were revealed in cermets with 50 and 40 wt% of CS with Ti-55Ni and Ti-6Al-4V cermets, respectively. The cermets with 80 and 90 wt% of CS showed more plasticity than the pure CS. It concluded that the composition and mechanical properties of sintered cermets of Ti-55Ni and Ti-6Al-4V with CS significantly depend on the CS content in raw cermet materials. Thus, the different mechanical properties of the cermets can be used as potential materials for different hard tissues replacements. PMID:25538954

Improved Osteoblast and Chondrocyte Adhesion and Viability by Surface-Modified Ti6Al4V Alloy with Anodized TiO2 Nanotubes Using a Super-Oxidative Solution

PubMed Central

Beltrán-Partida, Ernesto; Moreno-Ulloa, Aldo; Valdez-Salas, Benjamín; Velasquillo, Cristina; Carrillo, Monica; Escamilla, Alan; Valdez, Ernesto; Villarreal, Francisco

2015-01-01

Titanium (Ti) and its alloys are amongst the most commonly-used biomaterials in orthopedic and dental applications. The Ti-aluminum-vanadium alloy (Ti6Al4V) is widely used as a biomaterial for these applications by virtue of its favorable properties, such as high tensile strength, good biocompatibility and excellent corrosion resistance. TiO2 nanotube (NTs) layers formed by anodization on Ti6Al4V alloy have been shown to improve osteoblast adhesion and function when compared to non-anodized material. In his study, NTs were grown on a Ti6Al4V alloy by anodic oxidation for 5 min using a super-oxidative aqueous solution, and their in vitro biocompatibility was investigated in pig periosteal osteoblasts and cartilage chondrocytes. Scanning electron microscopy (SEM), energy dispersion X-ray analysis (EDX) and atomic force microscopy (AFM) were used to characterize the materials. Cell morphology was analyzed by SEM and AFM. Cell viability was examined by fluorescence microscopy. Cell adhesion was evaluated by nuclei staining and cell number quantification by fluorescence microscopy. The average diameter of the NTs was 80 nm. The results demonstrate improved cell adhesion and viability at Day 1 and Day 3 of cell growth on the nanostructured material as compared to the non-anodized alloy. In conclusion, this study evidences the suitability of NTs grown on Ti6Al4V alloy using a super-oxidative water and a short anodization process to enhance the adhesion and viability of osteoblasts and chondrocytes. The results warrant further investigation for its use as medical implant materials. PMID:28787976

Feasibility study of the production of biomedical Ti-6Al-4V alloy by powder metallurgy.

PubMed

Bolzoni, L; Ruiz-Navas, E M; Gordo, E

2015-04-01

Titanium and its alloys are characterized by an exceptional combination of properties like high strength, good corrosion resistance and biocompatibility which makes them suitable materials for biomedical prosthesis and devices. The wrought Ti-6Al-4V alloy is generally favored in comparison to other metallic biomaterials due to its relatively low elastic modulus and it has been long used to obtain products for biomedical applications. In this work an alternative route to fabricate biomedical implants made out of the Ti-6Al-4V alloy is investigated. Specifically, the feasibility of the conventional powder metallurgy route of cold uniaxial pressing and sintering is addressed by considering two types of powders (i.e. blended elemental and prealloyed). The characterization of physical properties, chemical analysis, mechanical behavior and microstructural analysis is carried out in-depth and the properties are correlated among them. On the base of the results found, the produced alloys are promising materials for biomedical applications as well as cheaper surgical devices and tools. Copyright © 2015 Elsevier B.V. All rights reserved.

Comparison of Ion Chemistries in Octafluoro-2-butene (2-C4F8) and in Octfluorocyclobutane (c-C4F8)

NASA Astrophysics Data System (ADS)

Jiao, Charles; Dejoseph, Charles; Garscadden, Alan

2007-10-01

2-C4F8 is one of the promising candidates to replace c-C4F8 that has been widely used for dielectric etching but is not environmentally friendly. In this study we have investigated electron impact ionization and ion-molecule reactions of 2-C4F8 using Fourier transform mass spectrometry (FTMS), and compared the results with those of c-C4F8 we have studied previously. Electron impact ionization of 2-C4F8 produces 15 ionic species including C4F7,8^+, C3F3,5,6^+, C2F4^+ and CF1-3^+ as the major ions. The total ionization cross section of 2-C4F8 reaches a maximum of 1.8x10-15 cm^2 at 90 eV. The ionization is dominated by the channel forming the parent ion C4F8^+ from 12 to 18 eV, and by the channel forming C3F5^+ from 18 to 70 eV. After 70 eV, CF3^+ becomes the dominant product ion. Among the major ions generated from the electron impact ionization of 2-C4F8, only CF^+, CF2^+ and CF3^+ are found to react with 2-C4F8, via F^- abstraction or charge transfer mechanism. The charge transfer reaction of Ar^++2-C4F8 produces primarily C4F7^+.

Structures of exocyclic R,R- and S,S-N(6),N(6)-(2,3-dihydroxybutan-1,4-diyl)-2'-deoxyadenosine adducts induced by 1,2,3,4-diepoxybutane.

PubMed

Kowal, Ewa A; Seneviratne, Uthpala; Wickramaratne, Susith; Doherty, Kathleen E; Cao, Xiangkun; Tretyakova, Natalia; Stone, Michael P

2014-05-19

1,3-Butadiene (BD) is an industrial and environmental chemical present in urban air and cigarette smoke, and is classified as a human carcinogen. It is oxidized by cytochrome P450 to form 1,2,3,4-diepoxybutane (DEB); DEB bis-alkylates the N(6) position of adenine in DNA. Two enantiomers of bis-N(6)-dA adducts of DEB have been identified: R,R-N(6),N(6)-(2,3-dihydroxybutan-1,4-diyl)-2'-deoxyadenosine (R,R-DHB-dA), and S,S-N(6),N(6)-(2,3-dihydroxybutan-1,4-diyl)-2'-deoxyadenosine (S,S-DHB-dA) [ Seneviratne , U. , Antsypovich , S. , Dorr , D. Q. , Dissanayake , T. , Kotapati , S. , and Tretyakova , N. ( 2010 ) Chem. Res. Toxicol. 23 , 1556 -1567 ]. Herein, the R,R-DHB-dA and S,S-DHB-dA adducts have been incorporated into the 5'-d(C(1)G(2)G(3)A(4)C(5)X(6)A(7)G(8)A(9)A(10)G(11))-3':5'-d(C(12)T(13)T(14)C(15)T(16)T(17)G(18)T(19)C(20)C(21)G(22))-3' duplex [X(6) = R,R-DHB-dA (R(6)) or S,S-DHB-dA (S(6))]. The structures of the duplexes were determined by molecular dynamics calculations, which were restrained by experimental distances obtained from NMR data. Both the R,R- and S,S-DHB-dA adducts are positioned in the major groove of DNA. In both instances, the bulky 3,4-dihydroxypyrrolidine rings are accommodated by an out-of-plane rotation about the C6-N(6) bond of the bis-alkylated adenine. In both instances, the directionality of the dihydroxypyrrolidine ring is evidenced by the pattern of NOEs between the 3,4-dihydroxypyrrolidine protons and DNA. Also in both instances, the anti conformation of the glycosyl bond is maintained, which combined with the out-of-plane rotation about the C6-N(6) bond, allows the complementary thymine, T(17), to remain stacked within the duplex, and form one hydrogen bond with the modified base, between the imine nitrogen of the modified base and the T(17) N3H imino proton. The loss of the second Watson-Crick hydrogen bonding interaction at the lesion sites correlates with the lower thermal stabilities of the R,R- and S,S-DHB-dA duplexes, as

Ruxolitinib reduces JAK2 p.V617F allele burden in patients with polycythemia vera enrolled in the RESPONSE study.

PubMed

Vannucchi, Alessandro Maria; Verstovsek, Srdan; Guglielmelli, Paola; Griesshammer, Martin; Burn, Timothy C; Naim, Ahmad; Paranagama, Dilan; Marker, Mahtab; Gadbaw, Brian; Kiladjian, Jean-Jacques

2017-07-01

In patients with polycythemia vera (PV), an elevated JAK2 p.V617F allele burden is associated with indicators of more severe disease (e.g., leukocytosis, splenomegaly, and increased thrombosis risk); however, correlations between allele burden reductions and clinical benefit in patients with PV have not been extensively evaluated in a randomized trial. This exploratory analysis from the multicenter, open-label, phase 3 Randomized Study of Efficacy and Safety in Polycythemia Vera With JAK Inhibitor INCB018424 Versus Best Supportive Care trial evaluated the long-term effect of ruxolitinib treatment on JAK2 p.V617F allele burden in patients with PV. Evaluable JAK2 p.V617F-positive patients randomized to ruxolitinib (n = 107) or best available therapy (BAT) who crossed over to ruxolitinib at week 32 (n = 97) had consistent JAK2 p.V617F allele burden reductions throughout the study. At all time points measured (up to weeks 208 [ruxolitinib-randomized] and 176 [ruxolitinib crossover]), mean changes from baseline over time in JAK2 p.V617F allele burden ranged from -12.2 to -40.0% (ruxolitinib-randomized) and -6.3 to -17.8% (ruxolitinib crossover). Complete or partial molecular response was observed in 3 patients (ruxolitinib-randomized, n = 2; ruxolitinib crossover, n = 1) and 54 patients (ruxolitinib-randomized, n = 33; ruxolitinib crossover, n = 20; BAT, n = 1), respectively. Among patients treated with interferon as BAT (n = 13), the mean maximal reduction in allele burden from baseline was 25.6% after crossover to ruxolitinib versus 6.6% before crossover. Collectively, the data from this exploratory analysis suggest that ruxolitinib treatment for up to 4 years provides progressive reductions in JAK2 p.V617F allele burden in patients with PV who are resistant to or intolerant of hydroxyurea. The relationship between allele burden changes and clinical outcomes in patients with PV remains unclear.

High-temperature corrosion of UNS N10003 in molten Li 2BeF 4 (FLiBe) salt

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zheng, Guiqiu; Kelleher, Brian; He, Lingfeng

2015-07-30

Here, corrosion testing of Hastelloy N in molten fluoride salt was performed in purified molten 2 7LiF-BeF 2 (66-34mol%) (FLiBe) salt at 700°C for 1000 hours, in pure nickel and graphite capsules. In the nickel capsule tests, the near-surface region of the alloy exhibited an about 200 nm porous structure, an approximately 3.5 μm chromium depleted region, and MoSi 2 precipitates. In tests performed in graphite capsules, the alloy samples gained weight due to the formation of a variety of Cr 3C 2, Cr 7C 3, Mo 2C and Cr 23C 6, carbide phases on the surface and in themore » subsurface regions of the alloy. A Cr depleted region was observed in the near-surface region where Mo thermally diffused toward either surface or grain boundary, which induced approximately 1.4 μm Ni 3Fe alloy layer in this region. The carbide containing layer extended to about 7 μm underneath the Ni 3Fe layer. The presence of graphite dramatically changes the mechanisms of corrosion attack in Hastelloy N in molten FLiBe salt. Evaluated by in terms of the depth of attack, graphite clearly accelerates corrosion, but the results appear to indicate that the formation of Cr 23C 6 phase might stabilize the Cr and mitigate its dissolution in molten FLiBe salt.« less

Qualification of Ti6Al4V ELI Alloy Produced by Laser Powder Bed Fusion for Biomedical Applications

NASA Astrophysics Data System (ADS)

Yadroitsev, I.; Krakhmalev, P.; Yadroitsava, I.; Du Plessis, A.

2018-03-01

Rectangular Ti6Al4V extralow interstitials (ELI) samples were manufactured by laser powder bed fusion (LPBF) in vertical and horizontal orientations relative to the build platform and subjected to various heat treatments. Detailed analyses of porosity, microstructure, residual stress, tensile properties, fatigue, and fracture surfaces were performed based on x-ray micro-computed tomography, scanning electron microscopy, and x-ray diffraction methods. The types of fracture and the tensile fracture mechanisms of the LPBF Ti6Al4V ELI alloy were also studied. Detailed analysis of the microstructure and the corresponding mechanical properties were compared against standard specifications for conventional Ti6Al4V alloy for use in surgical implant applications. Conclusions regarding the mechanical properties and heat treatment of LPBF Ti6Al4V ELI for biomedical applications are made.

TiF(4) and NaF at pH 1.2 but not at pH 3.5 are able to reduce dentin erosion.

PubMed

Wiegand, Annette; Magalhães, Ana Carolina; Sener, Beatrice; Waldheim, Elena; Attin, Thomas

2009-08-01

This study aimed to analyse and compare the protective effect of buffered (pH 3.5) and native (pH 1.2) TiF(4) in comparison to NaF solutions of same pH on dentin erosion. Bovine samples were pretreated with 1.50% TiF(4) or 2.02% NaF (both 0.48M F) solutions, each with a pH of 1.2 and 3.5. The control group received no fluoride pretreatment. Ten samples in each group were eroded with HCl (pH 2.6) for 10x60s. Erosion was analysed by determination of calcium release into the acid. Additionally, the surface and the elemental surface composition were examined by scanning electron microscopy (two samples in each group) and X-ray energy-dispersive spectroscopy in fluoridated but not eroded samples (six samples in each group). Cumulative calcium release (nmol/mm(2)) was statistically analysed by repeated measures ANOVA and one-way ANOVA at t=10min. TiF(4) and NaF at pH 1.2 decreased calcium release significantly, while TiF(4) and NaF at pH 3.5 were not effective. Samples treated with TiF(4) at pH 1.2 showed a significant increase of Ti, while NaF pretreatment increased F concentration significantly. TiF(4) at pH 1.2 led to the formation of globular precipitates occluding dentinal tubules, which could not be observed on samples treated with TiF(4) at pH 3.5. NaF at pH 1.2 but not at pH 3.5 induced the formation of surface precipitates covering dentinal tubules. Dentin erosion can be significantly reduced by TiF(4) and NaF at pH 1.2, but not at pH 3.5.

Base-Displaced Intercalated Conformation of the 2-Amino-3-methylimidazo[4,5-f]quinoline N2-dG DNA Adduct Positioned at the Nonreiterated G1 in the NarI Restriction Site

PubMed Central

2016-01-01

The conformation of an N2-dG adduct arising from the heterocyclic amine 2-amino-3-methylimidazo[4,5-f]quinoline (IQ), a potent food mutagen, was determined in 5′-d(C1T2C3X4G5C6G7C8C9A10T11C12)-3′:5′-d(G13A14T15G16G17C18G19C20C21G22A23G24)-3′; X = N2-dG-IQ, in which the modified nucleotide X4 corresponds to G1 in the 5′-d(G1G2CG3CC)-3′ NarI restriction endonuclease site. Circular dichroism (CD) revealed blue shifts relative to the unmodified duplex, consistent with adduct-induced twisting, and a hypochromic effect for the IQ absorbance in the near UV region. NMR revealed that the N2-dG-IQ adduct adopted a base-displaced intercalated conformation in which the modified guanine remained in the anti conformation about the glycosidic bond, the IQ moiety intercalated into the duplex, and the complementary base C21 was displaced into the major groove. The processing of the N2-dG-IQ lesion by hpol η is sequence-dependent; when placed at the reiterated G3 position, but not at the G1 position, this lesion exhibits a propensity for frameshift replication [Choi, J. Y., et al. (2006) J. Biol. Chem., 281, 25297–25306]. The structure of the N2-dG-IQ adduct at the nonreiterated G1 position was compared to that of the same adduct placed at the G3 position [Stavros, K. M., et al. (2014) Nucleic Acids Res., 42, 3450–3463]. CD indicted minimal spectral differences between the G1 vs G3N2-dG-IQ adducts. NMR indicated that the N2-dG-IQ adduct exhibited similar base-displaced intercalated conformations at both the G1 and G3 positions. This result differed as compared to the corresponding C8-dG-IQ adducts placed at the same positions. The C8-dG-IQ adduct adopted a minor groove conformation when placed at position G1 but a base-displaced intercalated conformation when placed at position G3 in the NarI sequence. The present studies suggest that differences in lesion bypass by hpol η may be mediated by differences in the 3′-flanking sequences, perhaps modulating the ability

Formation of g-C3N4@Ni(OH)2 Honeycomb Nanostructure and Asymmetric Supercapacitor with High Energy and Power Density.

PubMed

Dong, Bitao; Li, Mingyan; Chen, Sheng; Ding, Dawei; Wei, Wei; Gao, Guoxin; Ding, Shujiang

2017-05-31

Nickel hydroxide (Ni(OH) 2 ) has been regarded as a potential next-generation electrode material for supercapacitor owing to its attractive high theoretical capacitance. However, practical application of Ni(OH) 2 is hindered by its lower cycling life. To overcome the inherent defects, herein we demonstrate a unique interconnected honeycomb structure of g-C 3 N 4 and Ni(OH) 2 synthesized by an environmentally friendly one-step method. In this work, g-C 3 N 4 has excellent chemical stability and supports a perpendicular charge-transporting direction in charge-discharge process, facilitating electron transportation along that direction. The as-prepared composite exhibits higher specific capacities (1768.7 F g -1 at 7 A g -1 and 2667 F g -1 at 3 mV s -1 , respectively) compared to Ni(OH) 2 aggregations (968.9 F g -1 at 7 A g -1 ) and g-C 3 N 4 (416.5 F g -1 at 7 A g -1 ), as well as better cycling performance (∼84% retentions after 4000 cycles). As asymmetric supercapacitor, g-C 3 N 4 @Ni(OH) 2 //graphene exhibits high capacitance (51 F g -1 ) and long cycle life (72% retentions after 8000 cycles). Moreover, high energy density of 43.1 Wh kg -1 and power density of 9126 W kg -1 has been achieved. This attractive performance reveals that g-C 3 N 4 @Ni(OH) 2 with honeycomb architecture could find potential application as an electrode material for high-performance supercapacitors.

Functionalization of Biomedical Ti6Al4V via In Situ Alloying by Cu during Laser Powder Bed Fusion Manufacturing.

PubMed

Krakhmalev, Pavel; Yadroitsev, Igor; Yadroitsava, Ina; de Smidt, Olga

2017-10-03

The modern medical industry successfully utilizes Laser Powder Bed Fusion (LPBF) to manufacture complex custom implants. Ti6Al4V is one of the most commonly used biocompatible alloys. In surgery practice, infection at the bone-implant interface is one of the key reasons for implant failure. Therefore, advanced implants with biocompatibility and antibacterial properties are required. Modification of Ti alloy with Cu, which in small concentrations is a proven non-toxic antibacterial agent, is an attractive way to manufacture implants with embedded antibacterial functionality. The possibility of achieving alloying in situ, during manufacturing, is a unique option of the LPBF technology. It provides unique opportunities to manufacture customized implant shapes and design new alloys. Nevertheless, optimal process parameters need to be established for the in situ alloyed materials to form dense parts with required mechanical properties. This research is dedicated to an investigation of Ti6Al4V (ELI)-1 at % Cu material, manufactured by LPBF from a mixture of Ti6Al4V (ELI) and pure Cu powders. The effect of process parameters on surface roughness, chemical composition and distribution of Cu was investigated. Chemical homogeneity was discussed in relation to differences in the viscosity and density of molten Cu and Ti6Al4V. Microstructure, mechanical properties, and fracture behavior of as-built 3D samples were analyzed and discussed. Pilot antibacterial functionalization testing of Ti6Al4V (ELI) in situ alloyed with 1 at % Cu showed promising results and notable reduction in the growth of pure cultures of Escherichia coli and Staphylococcus aureus.

Structures of Exocyclic R,R- and S,S-N6,N6-(2,3-Dihydroxybutan-1,4-diyl)-2′-Deoxyadenosine Adducts Induced by 1,2,3,4-Diepoxybutane

PubMed Central

2015-01-01

1,3-Butadiene (BD) is an industrial and environmental chemical present in urban air and cigarette smoke, and is classified as a human carcinogen. It is oxidized by cytochrome P450 to form 1,2,3,4-diepoxybutane (DEB); DEB bis-alkylates the N6 position of adenine in DNA. Two enantiomers of bis-N6-dA adducts of DEB have been identified: R,R-N6,N6-(2,3-dihydroxybutan-1,4-diyl)-2′-deoxyadenosine (R,R-DHB-dA), and S,S-N6,N6-(2,3-dihydroxybutan-1,4-diyl)-2′-deoxyadenosine (S,S-DHB-dA) [SeneviratneU., AntsypovichS., DorrD. Q., DissanayakeT., KotapatiS., and TretyakovaN. (2010) Chem. Res. Toxicol.23, 1556−156720873715]. Herein, the R,R-DHB-dA and S,S-DHB-dA adducts have been incorporated into the 5′-d(C1G2G3A4C5X6A7G8A9A10G11)-3′:5′-d(C12T13T14C15T16T17G18T19C20C21G22)-3′ duplex [X6 = R,R-DHB-dA (R6) or S,S-DHB-dA (S6)]. The structures of the duplexes were determined by molecular dynamics calculations, which were restrained by experimental distances obtained from NMR data. Both the R,R- and S,S-DHB-dA adducts are positioned in the major groove of DNA. In both instances, the bulky 3,4-dihydroxypyrrolidine rings are accommodated by an out-of-plane rotation about the C6-N6 bond of the bis-alkylated adenine. In both instances, the directionality of the dihydroxypyrrolidine ring is evidenced by the pattern of NOEs between the 3,4-dihydroxypyrrolidine protons and DNA. Also in both instances, the anti conformation of the glycosyl bond is maintained, which combined with the out-of-plane rotation about the C6-N6 bond, allows the complementary thymine, T17, to remain stacked within the duplex, and form one hydrogen bond with the modified base, between the imine nitrogen of the modified base and the T17 N3H imino proton. The loss of the second Watson–Crick hydrogen bonding interaction at the lesion sites correlates with the lower thermal stabilities of the R,R- and S,S-DHB-dA duplexes, as compared to the corresponding unmodified duplex. The reduced base stacking at the

Technological capabilities of surface layers formation on implant made of Ti-6Al-4V ELI alloy.

PubMed

Kiel-Jamrozik, Marta; Szewczenko, Janusz; Basiaga, Marcin; Nowińska, Katarzyna

2015-01-01

The aim of the presented research was to find a combination of surface modification methods of implants made of the Ti-6Al-4V ELI alloy, that lead to formation of effective barrier for metallic ions that may infiltrate into solution. To this end, the following tests were carried out: roughness measurement, the voltamperometric tests (potentiodynamic and potentiostatic), and the ion infiltration test. The electropolishing process resulted in the lowering of surface roughness in comparison with mechanical treatment of the surface layer. The anodization process and steam sterilization increased corrosion resistance regardless of the mechanical treatment or electropolishing. The crevice corrosion tests revealed that independent of the modification method applied, the Ti-6Al-4V ELI alloy has excellent crevice corrosion resistance. The smallest quantity of ions infiltrated to the solution was observed for surface modification consisting in the mechanical treatment and anodization with the potential of 97 V. Electric parameters deter- mined during studies were the basis for effectiveness estimation of particular surface treatment methods. The research has shown that the anodization process significantly influences the pitting corrosion resistance of the Ti-6Al-4V ELI alloy independent of the previous surface treatment methods (mechanical and electrochemical). The surface layer after such modification is a protective barrier for metallic ions infiltrated to solution and protects titanium alloy against corrosive environment influence.

Formation of Ca/P ceramic coatings by Plasma Electrolytic Oxidation (PEO) on Ti6Al4V ELI alloy

NASA Astrophysics Data System (ADS)

Rodriguez-Jaimes, Y.; Naranjo, D. I.; Blanco, S.; García-Vergara, S. J.

2017-12-01

The formation of PEO ceramic coatings on Ti6Al4V ELI alloy was investigated using a phosphate/calcium containing electrolyte at 300 and 400V at 310K for different times. The Plasma Electrolytic Oxidation (PEO) coated specimens were then heat treated at 873 and 1073K for 2 hours. Scanning electron microscopy, Energy Dispersive X-Ray Spectroscopy (EDS) and X-ray diffraction analysis were used to study the composition and the morphology of the ceramic coatings. The corrosion behaviour of the coatings was studied by Electrochemical Impedance Spectroscopy (EIS) in Simulated Body Fluid (SBF). The PEO-treated specimens primarily revealed a porous structure with thickness between 4 and 12μm, according to the voltage and process time used. The coatings are mainly composed of hydroxyapatite; however, as the voltage and anodizing time increase, the Ca/P ratio decreases. Generally, the corrosion resistance of the alloy was improved by the PEO-treated coatings, although the specimens treated at 1073K showed the presence of cracks that reduced the protective effect of the coatings.

Manganese Vanadate Chemistry in Hydrothermal BaF 2 Brines: Ba 3 Mn 2 (V 2 O 7 ) 2 F 2 and Ba 7 Mn 8 O 2 (VO 4 ) 2 F 23

DOE PAGES

Sanjeewa, Liurukara D.; McMillen, Colin D.; McGuire, Michael A.; ...

2016-12-05

We synthesized manganese vanadate fluorides using high-temperature hydrothermal techniques with BaF 2 as a mineralizer. Ba 3Mn 2(V 2O 7) 2F 2 crystallizes in space group C2/c and consists of dimers built from edge-sharing MnO 4F 2 trigonal prisms with linking V 2O 7 groups. Ba 7Mn 8O 2(VO 4) 2F 23 crystallizes in space group Cmmm, with a manganese oxyfluoride network built from edge- and corner-sharing Mn 2+/3+(O,F) 6 octahedra. The resulting octahedra form alternating Mn 2+ and Mn 2+/3+ layers separated by VO 4 tetrahedra. This latter compound exhibits a canted antiferromagnetic order below TN = 25 K.

In situ cell culture monitoring on a Ti-6Al-4V surface by electrochemical techniques.

PubMed

García-Alonso, M C; Saldaña, L; Alonso, C; Barranco, V; Muñoz-Morris, M A; Escudero, M L

2009-05-01

In this work, the in situ interaction between Ti-6Al-4V alloy and osteoblastic cells has been studied by electrochemical techniques as a function of time. The interaction has been monitored for cell adhesion and growth of human osteoblastic Saos-2 cells on Ti-6Al-4V samples. The study has been carried out by electrochemical techniques, e.g., studying the evolution of corrosion potential with exposure time and by electrochemical impedance spectroscopy. The impedance results have been analyzed by using different equivalent circuit models that simulate the interface state at each testing time. The adhesion of the osteoblastic cells on the Ti-6Al-4V alloy leads to surface areas with different cell coverage rates, thus showing the different responses in the impedance diagrams with time. The effect of the cells on the electrochemical response of Ti-6Al-4V alloy is clearly seen after 4 days of testing, in which two isolated and well-differentiated time constants are clearly observed. One of these is associated with the presence of the cells and the other with a passive film on the Ti-6Al-4V alloy. After 7 days of culture, the system is governed by a resistive component over a wide frequency range which is associated with an increase in the cell coverage rate on the surface due to the extracellular matrix.

The machinability of cast titanium and Ti-6Al-4V.

PubMed

Ohkubo, C; Watanabe, I; Ford, J P; Nakajima, H; Hosoi, T; Okabe, T

2000-02-01

This study investigated the machinability (ease of metal removal) of commercially pure (CP) titanium and Ti-6Al-4V alloy. Both CP Ti and Ti-6Al-4V were cast into magnesia molds. Two types of specimens (with alpha-case and without alpha-case) were made for CP Ti and Ti-6Al-4V. Machinability (n = 5) was evaluated as volume loss (mm3) by cutting/grinding the 3.0 mm surface using fissure burs and silicon carbide (SiC) under two machining conditions: (1) two machining forces (100 or 300 gf) at two rotational speeds (15000 or 30000 rpm) for 1 min, and (2) constant machining force of 100 gf and rotational speed of 15000 rpm for 1, 2, 5, 10, and 30 min. As controls, conventionally cast Co-Cr and Type IV gold alloys were evaluated in the same manner as the titanium. When fissure burs were used, there was a significant difference in the machinability between CP titanium with alpha-case and without alpha-case. On the other hand, there was no appreciable difference in the amount of metal removed for each tested metal when using the SiC points.

Interactions of 2.1 GeV/n He-4, C-12, N-14 and O-16 nuclei in emulsion

NASA Technical Reports Server (NTRS)

Heckman, H. H.; Greiner, D. E.; Lindstrom, P. J.; Shwe, H.

1975-01-01

The interaction mean-free-path lengths for He-4, C-12, N-14 and O-16 nuclei at 2.1 GeV/n have been measured in nuclear emulsion detectors. The angular distributions of Z equals 1 and 2 secondaries from the interactions of C, N and O beams are determined, and the topology of projectile fragmentation of these ions is examined.

C=C bond cleavage on neutral VO3(V2O5)n clusters.

PubMed

Dong, Feng; Heinbuch, Scott; Xie, Yan; Bernstein, Elliot R; Rocca, Jorge J; Wang, Zhe-Chen; Ding, Xun-Lei; He, Sheng-Gui

2009-01-28

The reactions of neutral vanadium oxide clusters with alkenes (ethylene, propylene, 1-butene, and 1,3-butadiene) are investigated by experiments and density function theory (DFT) calculations. Single photon ionization through extreme ultraviolet radiation (EUV, 46.9 nm, 26.5 eV) is used to detect neutral cluster distributions and reaction products. In the experiments, we observe products (V(2)O(5))(n)VO(2)CH(2), (V(2)O(5))(n)VO(2)C(2)H(4), (V(2)O(5))(n)VO(2)C(3)H(4), and (V(2)O(5))(n)VO(2)C(3)H(6), for neural V(m)O(n) clusters in reactions with C(2)H(4), C(3)H(6), C(4)H(6), and C(4)H(8), respectively. The observation of these products indicates that the C=C bonds of alkenes can be broken on neutral oxygen rich vanadium oxide clusters with the general structure VO(3)(V(2)O(5))(n=0,1,2...). DFT calculations demonstrate that the reaction VO(3) + C(3)H(6) --> VO(2)C(2)H(4) + H(2)CO is thermodynamically favorable and overall barrierless at room temperature. They also provide a mechanistic explanation for the general reaction in which the C=C double bond of alkenes is broken on VO(3)(V(2)O(5))(n=0,1,2...) clusters. A catalytic cycle for alkene oxidation on vanadium oxide is suggested based on our experimental and theoretical investigations. The reactions of V(m)O(n) with C(6)H(6) and C(2)F(4) are also investigated by experiments. The products VO(2)(V(2)O(5))(n)C(6)H(4) are observed for dehydration reactions between V(m)O(n) clusters and C(6)H(6). No product is detected for V(m)O(n) clusters reacting with C(2)F(4). The mechanisms of the reactions between VO(3) and C(2)F(4)/C(6)H(6) are also investigated by calculations at the B3LYP/TZVP level.

TG101209, a small molecule JAK2-selective kinase inhibitor potently inhibits myeloproliferative disorder-associated JAK2V617F and MPLW515L/K mutations.

PubMed

Pardanani, A; Hood, J; Lasho, T; Levine, R L; Martin, M B; Noronha, G; Finke, C; Mak, C C; Mesa, R; Zhu, H; Soll, R; Gilliland, D G; Tefferi, A

2007-08-01

JAK2V617F and MPLW515L/K represent recently identified mutations in myeloproliferative disorders (MPD) that cause dysregulated JAK-STAT signaling, which is implicated in MPD pathogenesis. We developed TG101209, an orally bioavailable small molecule that potently inhibits JAK2 (IC(50)=6 nM), FLT3 (IC(50)=25 nM) and RET (IC(50)=17 nM) kinases, with significantly less activity against other tyrosine kinases including JAK3 (IC(50)=169 nM). TG101209 inhibited growth of Ba/F3 cells expressing JAK2V617F or MPLW515L mutations with an IC(50) of approximately 200 nM. In a human JAK2V617F-expressing acute myeloid leukemia cell line, TG101209-induced cell cycle arrest and apoptosis, and inhibited phosphorylation of JAK2V617F, STAT5 and STAT3. Therapeutic efficacy of TG101209 was demonstrated in a nude mouse model. Furthermore, TG101209 suppressed growth of hematopoietic colonies from primary progenitor cells harboring JAK2V617F or MPL515 mutations.

Dipropyl 3,6-diphenyl-1,2-dihydro-1,2,4,5-tetrazine-1,2-dicarboxylate.

PubMed

Rao, Guo-Wu; Hu, Wei-Xiao

2003-05-01

The title compound, C(22)H(24)N(4)O(4), was prepared from propyl chloroformate and 3,6-diphenyl-1,2-dihydro-s-tetrazine. This reaction yields the title compound rather than dipropyl 3,6-diphenyl-1,4-dihydro-s-tetrazine-1,4-dicarboxylate. The 2,3-diazabutadiene group in the central six-membered ring is not planar; the C=N double-bond length is 1.285 (2) A, and the average N-N single-bond length is 1.401 (3) A, indicating a lack of conjugation. The ring has a twist conformation, in which adjacent N atoms lie +/- 0.3268 (17) A from the plane of the ring. The molecule has twofold crystallographic symmetry.

Effect of KH2PO4 on gene expression, morphological and biochemical characteristics of stevia rebaudiana Bertoni under in vitro conditions.

PubMed

Kahrizi, D; Ghari, S M; Ghaheri, M; Fallah, F; Ghorbani, T; Beheshti Ale Agha, A; Kazemi, E; Ansarypour, Z

2017-08-15

Stevia rebaudiana is one of the most important biologically sourced and low-calorie sweeteners Bertoni that has a lot of steviol glycosides. Tissue culture is the best for propagation of stevia and micro nutrients can affect both morphological traits and steviol glycosides production. Therefore, the effect of different concentrations of KH2PO4on stevia growth factors and gene expression had been studied by tissue culture methods, RT-PCR and HPLC. According the results, bud numbers had increased significantly in MS + 0.034 mMKH2PO4 media and the highest measured length was seen in plants grown under MS + 0.034 mM KH2PO4 treatment. Also, the highest growth rate (1.396 mm/d) was observed in MS + 0.034 mMKH2PO4.The best concentration of KH2PO4 for expression of UGT74G1 was 0.00425mMand the best one for UGT76G1 expression was 0.017mM. Interestingly, the best media for both stevioside and rebaudioside A accumulation was 0.017mM KH2PO4containing media. There was positive correlation between the best media for gene expression and the best one for steviol glycosides production.

Casting of Ti-6Al-4V alloy compared with pure Ti in an Ar-arc casting machine.

PubMed

Syverud, M; Okabe, T; Herø, H

1995-10-01

Dental prostheses of Ti are normally cast in pure Ti. Some appliances, however, require higher yield strength. Casting of Ti alloys is of interest in such cases. The objective of the present work was to study the quality of castings made of Ti-6Al-4V compared with those made of pure Ti. Casting was made into a mold kept at room temperature using a MgO-Al2O3 investment. A standardized five-unit bridge was cast, consisting of two cylindrical crowns with sharp margins and three pontics. The overall mold filling was satisfactory. The margins of the casting alloys were, however, more rugged and incomplete than those of pure Ti. The most likely reason for this difference is the increased formation of dendrites in the alloy and thus more resistance to fluid flow. Furthermore, the sprue of the alloy was also found to contain some spherical, internal pores. Such pores were rare in the pure Ti castings. The surface reactions were found to be minimal for both of the materials. Increased casting deficiencies observed in the cast bridges of the Ti-6Al-4V alloy, compared with pure Ti, were: 1) the margins of the crowns in the bridge were less complete and 2) there was a tendency to an increased internal porosity, particularly in the sprues.

NCI calculations for understanding a physical phase transition in (C6H14N2)[Mn(H2O)6](SeO4)2

NASA Astrophysics Data System (ADS)

Naïli, Houcine; François, Michel; Norquist, Alexander J.; Rekik, Walid

2017-12-01

An organically templated manganese selenate, (C6H14N2)[Mn(H2O)6](SeO4)2, has been synthesized by slow evaporation and crystallographically characterized. The title compound crystallizes at room temperature in the monoclinic centrosymmetric space group P21/n, with the following unit cell parameters: a = 7.2373(4) Å; b = 12.5600(7) Å; c = 10.1945(7) Å; β = 91.155(4)°, V = 926.50(10) Å3and Z = 2. Its crystal structure is built of manganese(II) cations coordinated by six water molecules in octahedral geometry, disordered dabcodiium cations and selenate anions, resulting in an extensive hydrogen-bonding network. Differential scanning calorimetry (DSC) measurement indicated that the precursor undergoes a reversible phase transition at about 216 and 218 K during the cooling and heating processes respectively. Below this temperature the title compound is noncentrosymmetric with space group P21 and lattice parameters a = 7.2033(8) Å; b = 12.4981(13) Å; c = 10.0888(11) Å; β = 91.281(2)°, V = 908.04(17) Å3 and Z = 2. The disorder-order transformation of the C atoms of (C6H14N2)2+ cation may drive the structural phase transition. The low temperature phase obtained by breaking symmetry presents a fully ordered structure. The noncovalent interaction (NCI) method was used not only to locate, quantify, and visualize intermolecular interactions in the high and low temperature phases but also to confirm the phase transition detected by DSC measurement. The thermal decomposition of this new compound proceeds through four stages giving rise to the manganese oxide as final product at 850 °C.

Increased frequency of co-existing JAK2 exon-12 or MPL exon-10 mutations in patients with low JAK2(V617F) allelic burden.

PubMed

Nussenzveig, Roberto H; Pham, Ha T; Perkins, Sherrie L; Prchal, Josef T; Agarwal, Archana M; Salama, Mohamed E

2016-01-01

The frequency of co-existing JAK2(V617F)/MPL and JAK2(V617F)/JAK2 exon-12 mutations has not been previously investigated in MPNs. Poor survival was reported in primary myelofibrosis with low JAK2(V617F) allelic burden. However, mutational status of JAK2 exon-12 or MPL were not reported in these patients. This study developed a cost-effective multiplex high resolution melt assay that screens for mutations in JAK2 gene exons-12 and -14 ((V617F)) and MPL gene exon-10. Co-existing mutations with JAK2(V617F) were detected in 2.9% (6/208; two JAK2 exon-12 and four MPL exon-10) patient specimens with known JAK2(V617F) (allelic-burden range: 0.1-96.8%). Co-existing mutations were detected in specimens with < 12% JAK2(V617F) allelic burden. Current WHO guidelines do not recommend further testing once JAK2(V617F) mutation is detected in MPNs. The findings, however, indicate that quantification of JAK2(V617F) allele burden may be clinically relevant in MPNs and in those with low allelic burden additional testing for JAK2 exon-12 and MPL exon-10 mutation should be pursued.

Functionalization of Biomedical Ti6Al4V via In Situ Alloying by Cu during Laser Powder Bed Fusion Manufacturing

PubMed Central

Krakhmalev, Pavel; Yadroitsev, Igor; Yadroitsava, Ina; de Smidt, Olga

2017-01-01

The modern medical industry successfully utilizes Laser Powder Bed Fusion (LPBF) to manufacture complex custom implants. Ti6Al4V is one of the most commonly used biocompatible alloys. In surgery practice, infection at the bone–implant interface is one of the key reasons for implant failure. Therefore, advanced implants with biocompatibility and antibacterial properties are required. Modification of Ti alloy with Cu, which in small concentrations is a proven non-toxic antibacterial agent, is an attractive way to manufacture implants with embedded antibacterial functionality. The possibility of achieving alloying in situ, during manufacturing, is a unique option of the LPBF technology. It provides unique opportunities to manufacture customized implant shapes and design new alloys. Nevertheless, optimal process parameters need to be established for the in situ alloyed materials to form dense parts with required mechanical properties. This research is dedicated to an investigation of Ti6Al4V (ELI)-1 at % Cu material, manufactured by LPBF from a mixture of Ti6Al4V (ELI) and pure Cu powders. The effect of process parameters on surface roughness, chemical composition and distribution of Cu was investigated. Chemical homogeneity was discussed in relation to differences in the viscosity and density of molten Cu and Ti6Al4V. Microstructure, mechanical properties, and fracture behavior of as-built 3D samples were analyzed and discussed. Pilot antibacterial functionalization testing of Ti6Al4V (ELI) in situ alloyed with 1 at % Cu showed promising results and notable reduction in the growth of pure cultures of Escherichia coli and Staphylococcus aureus. PMID:28972546

Plasma-Sprayed Ti6Al4V Alloy Composite Coatings Reinforced with In Situ Formed TiB-TiN

NASA Astrophysics Data System (ADS)

Anand, Akrity; Das, Mitun; Kundu, Biswanath; Balla, Vamsi Krishna; Bodhak, Subhadip; Gangadharan, S.

2017-12-01

Plasma spraying was used to deposit premixed Ti6Al4V + 15 wt.% BN powder on titanium substrate to fabricate Ti6Al4V matrix composite coatings reinforced with in situ synthesized TiB-TiN. The formation of in situ TiB-TiN reinforcements increased with plasma power. The in situ reaction appears to be complete under present experimental conditions but with considerable oxidation of Ti in the composite coatings. The hardness of composite coatings was 7 times higher (855HV), and the in vitro wear rate (2.4 × 10-5 mm3/N m) was one order of magnitude less than that of titanium substrate. However, the microstructural non-uniformity decreased the corrosion resistance of these composite coatings in Hank's balanced salt solution.

Particle Characteristics and Densification of W6Mo5Cr4V2Co5Nb Overspray Powder

NASA Astrophysics Data System (ADS)

Pi, Ziqiang; Lu, Xin; Yang, Fei; Liu, Bowen; Jia, Chengchang; Qu, Xuanhui; Zheng, Wei; Wu, Lizhi; Shao, Qingli

2018-05-01

W6Mo5Cr4V2Co5Nb (825 K) alloy was prepared by a two-step sintering process from overspray 825 K alloy powder. The overspray powder characteristics and the microstructure and mechanical properties of the as-sintered 825 K alloy were investigated. Results showed that two types of carbides formed a network structure in the overspray powder, which had spherical or quasispherical shape: one was MC carbide that was rich in vanadium (V), and the other was M2C carbide enriched with vanadium (V) and tungsten (W). The sintered 825 K alloy contained M6C and MC carbides, of which M6C was rich in tungsten (W) and molybdenum (Mo), and both of these two carbides were uniformly distributed in the alloy matrix. The alloy had relative density of 98.43%, hardness of HRC 51.8, and superior bending strength of 2042 MPa. These mechanical properties can meet the requirements of most engineering applications.

Selected fretting-wear-resistant coatings for titanium - 6-percent-aluminum - 4-percent-vanadium alloy

NASA Technical Reports Server (NTRS)

Bill, R. C.

1976-01-01

A titanium - 6-percent-aluminum - 4-percent-vanadium alloy (Ti-6Al-4V) was subjected to fretting-wear exposures against uncoated Ti-6Al-4V as a baseline and against various coatings and surface treatments applied to Ti-6Al-4V. The coatings evaluated included plasma-sprayed tungsten carbide with 12 percent cobalt, aluminum oxide with 13 percent titanium oxide, chromium oxide, and aluminum bronze with 10 percent aromatic polyester; polymer-bonded polyimide, polyimide with graphite fluoride, polyimide with molybdenum disulfide (MoS2), and methyl phenyl silicone bonded MoS2, preoxidation surface treatment, a nitride surface treatment, and a sputtered MoS2 coating. Results of wear measurements on both the coated and uncoated surfaces after 300,000 fretting cycles indicated that the polyimide coating was the most wear resistant and caused the least wear to the uncoated mating surface.

Isolation and structures of sulfonium salts derived from thioethers: [{o-C(6)H(4)(CH(2)SMe)(2)}H][NbF(6)] and [{[9]aneS(3)}H][NbF(6)].

PubMed

Jura, Marek; Levason, William; Reid, Gillian; Webster, Michael

2009-10-07

Two very unusual sulfonium salts, [{o-C(6)H(4)(CH(2)SMe)(2)}H][NbF(6)] and [{[9]aneS(3)}H][NbF(6)], obtained from reaction of the thioethers with NbF(5) in CH(2)Cl(2) solution, are reported and their structures described; the eight-coordinate tetrafluoro Nb(v) cation of the dithioether is obtained from the same reaction.

Volume collapse phase transitions in cerium-praseodymium alloys under high pressure

DOE PAGES

Perreault, Christopher S.; Velisavljevic, Nenad; Samudrala, Gopi K.; ...

2018-06-08

Cerium-12at%Praseodymium(Ce 0.88Pr 0.12) and Ce-50at%Praseodymium(Ce 0.50Pr 0.50) alloy samples that contain a random solid-solution of Ce (4f1 (J=5/2)) and Pr (4f2 (J=4)) localized f-states have been studied by angle dispersive x-ray diffraction in a diamond anvil cell to a pressure of 65 GPa and 150 GPa respectively using a synchrotron source. Ce 0.88Pr 0.12 alloy crystallizes in a face-centered cubic (γ-phase) structure at ambient conditions, while Ce 0.50Pr 0.50 alloy crystallizes in the double hexagonal close packed (dhcp) structure at ambient conditions. Two distinct volume collapse transitions are observed in Ce 0.88Pr 0.12 alloy at 1.5 GPa and 18 GPamore » with volume change of 8.5% and 3% respectively. In contrast, Ce 0.50Pr 0.50 alloy shows only a single volume collapse of 5.6% at 20 GPa on phase transformation to α-Uranium structure under high pressure. Electrical transport measurements under high pressure show anomalies in electrical resistance at phase transitions for both compositions of this alloy.« less

Volume collapse phase transitions in cerium-praseodymium alloys under high pressure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perreault, Christopher S.; Velisavljevic, Nenad; Samudrala, Gopi K.

Cerium-12at%Praseodymium(Ce 0.88Pr 0.12) and Ce-50at%Praseodymium(Ce 0.50Pr 0.50) alloy samples that contain a random solid-solution of Ce (4f1 (J=5/2)) and Pr (4f2 (J=4)) localized f-states have been studied by angle dispersive x-ray diffraction in a diamond anvil cell to a pressure of 65 GPa and 150 GPa respectively using a synchrotron source. Ce 0.88Pr 0.12 alloy crystallizes in a face-centered cubic (γ-phase) structure at ambient conditions, while Ce 0.50Pr 0.50 alloy crystallizes in the double hexagonal close packed (dhcp) structure at ambient conditions. Two distinct volume collapse transitions are observed in Ce 0.88Pr 0.12 alloy at 1.5 GPa and 18 GPamore » with volume change of 8.5% and 3% respectively. In contrast, Ce 0.50Pr 0.50 alloy shows only a single volume collapse of 5.6% at 20 GPa on phase transformation to α-Uranium structure under high pressure. Electrical transport measurements under high pressure show anomalies in electrical resistance at phase transitions for both compositions of this alloy.« less

The OsO(3)F(+) and mu-F(OsO(3)F)(2)(+) cations: their syntheses and study by Raman and (19)F NMR spectroscopy and electron structure calculations and X-ray crystal structures of [OsO(3)F][PnF(6)] (Pn = As, Sb), [OsO(3)F][HF](2)[AsF(6)], [OsO(3)F][HF][SbF(6)], and [OsO(3)F][Sb(3)F(16)].

PubMed

Gerken, Michael; Dixon, David A; Schrobilgen, Gary J

2002-01-28

The fluoride ion donor properties of OsO(3)F(2) have been investigated. The salts [OsO(3)F][AsF(6)], [OsO(3)F][HF](2)[AsF(6)], mu-F(OsO(3)F)(2)[AsF(6)], [OsO(3)F][HF](2)[SbF(6)], and [OsO(3)F][HF][SbF(6)] have been prepared by reaction of OsO(3)F(2) with AsF(5) and SbF(5) in HF solvent and have been characterized in the solid state by Raman spectroscopy. The single-crystal X-ray diffraction studies of [OsO(3)F][AsF(6)] (P2(1)/n, a = 7.0001(11) A, c = 8.8629(13) A, beta = 92.270(7) degrees, Z = 4, and R(1) = 0.0401 at -126 degrees C), [OsO(3)F][SbF(6)] (P2(1)/c, a = 5.4772(14) A, b = 10.115(3) A, c = 12.234(3) A, beta = 99.321(5) degrees, Z = 4, and R(1) = 0.0325 at -173 degrees C), [OsO(3)F][HF](2)[AsF(6)] (P2(1)/n, a = 5.1491(9) A, b = 8.129(2) A, c = 19.636(7) A, beta = 95.099(7) degrees, Z = 4, and R(1) = 0.0348 at -117 degrees C), and [OsO(3)F][HF][SbF(6)] (Pc, a = 5.244(4) A, b = 9.646(6) A, c = 15.269(10) A, beta = 97.154(13) degrees, Z = 4, and R(1) = 0.0558 at -133 degrees C) have shown that the OsO(3)F(+) cations exhibit strong contacts to the anions and HF solvent molecules giving rise to cyclic, dimeric structures in which the osmium atoms have coordination numbers of 6. The reaction of OsO(3)F(2) with neat SbF(5) yielded [OsO(3)F][Sb(3)F(16)], which has been characterized by (19)F NMR spectroscopy in SbF(5) and SO(2)ClF solvents and by Raman spectroscopy and single-crystal X-ray diffraction in the solid state (P4(1)m, a = 10.076(6) A, c = 7.585(8) A, Z = 2, and R(1) = 0.0858 at -113 degrees C). The weak fluoride ion basicity of the Sb(3)F(16)(-) anion resulted in an OsO(3)F(+) cation (C(3)(v) point symmetry) that is well isolated from the anion and in which the osmium is four-coordinate. The geometrical parameters and vibrational frequencies of OsO(3)F(+), ReO(3)F, mu-F(OsO(3)F)(2)(+), (FO(3)Os--FPnF(5))(2), and (FO(3)Os--(HF)(2)--FPnF(5))(2) (Pn = As, Sb) have been calculated using density functional theory methods.

Selective Cytotoxicity of 1,3,4-Thiadiazolium Mesoionic Derivatives on Hepatocarcinoma Cells (HepG2)

PubMed Central

Valdameri, Glaucio; Rocha, Maria Eliane Merlin; Martinez, Glaucia Regina; Noleto, Guilhermina Rodrigues; Acco, Alexandra; Alves de Souza, Carlos Eduardo; Echevarria, Aurea; Moretto dos Reis, Camilla; Di Pietro, Attilio; Suter Correia Cadena, Sílvia Maria

2015-01-01

In this work, we evaluated the cytotoxicity of mesoionic 4-phenyl-5-(2-Y, 4-X or 4-X-cinnamoyl)-1,3,4-thiadiazolium-2-phenylamine chloride derivatives (MI-J: X=OH, Y=H; MI-D: X=NO2, Y=H; MI-4F: X=F, Y=H; MI-2,4diF: X=Y=F) on human hepatocellular carcinoma (HepG2), and non-tumor cells (rat hepatocytes) for comparison. MI-J, M-4F and MI-2,4diF reduced HepG2 viability by ~ 50% at 25 μM after 24-h treatment, whereas MI-D required a 50 μM concentration, as shown by 3-(4,5-dimethythiazol-2-yl)-2,5-diphenyltetrazolium bromide assays. The cytotoxicity was confirmed with lactate dehydrogenase assay, of which activity was increased by 55, 24 and 16% for MI-J, MI-4F and MI-2,4diF respectively (at 25 μM after 24 h). To identify the death pathway related to cytotoxicity, the HepG2 cells treated by mesoionic compounds were labeled with both annexin V and PI, and analyzed by flow cytometry. All compounds increased the number of doubly-stained cells at 25 μM after 24 h: by 76% for MI-J, 25% for MI-4F and MI-2,4diF, and 11% for MI-D. It was also verified that increased DNA fragmentation occurred upon MI-J, MI-4F and MI-2,4diF treatments (by 12%, 9% and 8%, respectively, at 25 μM after 24 h). These compounds were only weakly, or not at all, transported by the main multidrug transporters, P-glycoprotein, ABCG2 and MRP1, and were able to slightly inhibit their drug-transport activity. It may be concluded that 1,3,4-thiadiazolium compounds, especially the hydroxy derivative MI-J, constitute promising candidates for future investigations on in-vivo treatment of hepatocellular carcinoma. PMID:26083249

Crack-closure and crack-growth measurements in surface-flawed titanium alloy Ti6Al-4V

NASA Technical Reports Server (NTRS)

Elber, W.

1975-01-01

The crack-closure and crack-growth characteristics of the titanium alloy Ti-6Al-4V were determined experimentally on surface-flawed plate specimens. Under cyclic loading from zero to tension, cracks deeper than 1 mm opened at approximately 50 percent of the maximum load. Cracks shallower than 1 mm opened at higher loads. The correlation between crack-growth rate and the total stress-intensity range showed a lower threshold behavior. This behavior was attributed to the high crack-opening loads at short cracks because the lower threshold was much less evident in correlations between the crack-growth rates and the effective stress-intensity range.

Characterization and diffusion model for the titanium boride layers formed on the Ti6Al4V alloy by plasma paste boriding

NASA Astrophysics Data System (ADS)

Keddam, Mourad; Taktak, Sukru

2017-03-01

The present study is focused on the estimation of activation energy of boron in the plasma paste borided Ti6Al4V alloy, which is extensively used in technological applications, using an analytical diffusion model. Titanium boride layers were successfully produced by plasma paste boriding method on the Ti6Al4V alloy in the temperature range of 973-1073 K for a treatment time ranging from 3 to 7 h. The presence of both TiB2 top-layer and TiB whiskers sub-layer was confirmed by the XRD analysis and SEM observations. The surface hardness of the borided alloy was evaluated using Micro-Knoop indenter. The formation rates of the TiB2 and TiB layers were found to have a parabolic character at all applied process temperatures. A diffusion model was suggested to estimate the boron diffusivities in TiB2 and TiB layers under certain assumptions, by considering the effect of boride incubation times. Basing on own experimental data on boriding kinetics, the activation energies of boron in TiB2 and TiB phases were estimated as 136.24 ± 0.5 and 63.76 ± 0.5 kJ mol-1, respectively. Finally, the obtained values of boron activation energies for Ti6Al4V alloy were compared with the data available in the literature.

The effect of bi-terminal PEGylation of an integrin  α vβ 6-targeted 18F peptide on pharmacokinetics and tumor uptake

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hausner, Sven H.; Bauer, Nadine; Hu, Lina Y.

Radiotracers based on the peptide A20FMDV2 selectively target the cell surface receptor integrin α vβ 6. This integrin has been identified as a prognostic indicator correlating with the severity of disease for several challenging malignancies. In previous studies of A20FMDV2 peptides labeled with 4- 18F-fluorobenzoic acid ( 18F-FBA), we have shown that the introduction of poly(ethylene glycol) (PEG) improves pharmacokinetics, including increased uptake in α vβ 6-expressing tumors. The present study evaluated the effect of site-specific C-terminal or dual (N- and C-terminal) PEGylation, yielding 18F-FBA-A20FMDV2-PEG 28 (4) and 18F-FBA-PEG 28-A20FMDV2-PEG 28 (5), on α vβ 6-targeted tumor uptake and pharmacokinetics.more » The results are compared with 18F-FBA–labeled A20FMDV2 radiotracers (1–3) bearing either no PEG or different PEG units at the N terminus. The radiotracers were prepared and radiolabeled on solid phase. Using 3 cell lines, DX3puroβ6 (α vβ 6+), DX3puro (α vβ 6–), and BxPC-3 (α vβ 6+), we evaluated the radiotracers in vitro (serum stability; cell binding and internalization) and in vivo in mouse models bearing paired DX3puroβ6–DX3puro and, for 5, BxPC-3 xenografts. Here, the size and location of the PEG units significantly affected α vβ 6 targeting and pharmacokinetics. Although the C-terminally PEGylated 4 showed some improvements over the un-PEGylated 18F-FBA-A20FMDV2 (1), it was the bi-terminally PEGylated 5 that displayed the more favorable combination of high α vβ 6 affinity, selectivity, and pharmacokinetic profile. In vitro, 5 bound to α vβ 6-expressing DX3puroβ6 and BxPC-3 cells with 60.5% ± 3.3% and 48.8% ± 8.3%, respectively, with a significant fraction of internalization (37.2% ± 4.0% and 37.6% ± 4.1% of total radioactivity, respectively). By comparison, in the DX3puro control 5 showed only 3.0% ± 0.5% binding and 0.9% ± 0.2% internalization. In vivo, 5 maintained high, α vβ 6-directed binding in the

The effect of bi-terminal PEGylation of an integrin  α vβ 6-targeted 18F peptide on pharmacokinetics and tumor uptake

DOE PAGES

Hausner, Sven H.; Bauer, Nadine; Hu, Lina Y.; ...

2015-03-26

Radiotracers based on the peptide A20FMDV2 selectively target the cell surface receptor integrin α vβ 6. This integrin has been identified as a prognostic indicator correlating with the severity of disease for several challenging malignancies. In previous studies of A20FMDV2 peptides labeled with 4- 18F-fluorobenzoic acid ( 18F-FBA), we have shown that the introduction of poly(ethylene glycol) (PEG) improves pharmacokinetics, including increased uptake in α vβ 6-expressing tumors. The present study evaluated the effect of site-specific C-terminal or dual (N- and C-terminal) PEGylation, yielding 18F-FBA-A20FMDV2-PEG 28 (4) and 18F-FBA-PEG 28-A20FMDV2-PEG 28 (5), on α vβ 6-targeted tumor uptake and pharmacokinetics.more » The results are compared with 18F-FBA–labeled A20FMDV2 radiotracers (1–3) bearing either no PEG or different PEG units at the N terminus. The radiotracers were prepared and radiolabeled on solid phase. Using 3 cell lines, DX3puroβ6 (α vβ 6+), DX3puro (α vβ 6–), and BxPC-3 (α vβ 6+), we evaluated the radiotracers in vitro (serum stability; cell binding and internalization) and in vivo in mouse models bearing paired DX3puroβ6–DX3puro and, for 5, BxPC-3 xenografts. Here, the size and location of the PEG units significantly affected α vβ 6 targeting and pharmacokinetics. Although the C-terminally PEGylated 4 showed some improvements over the un-PEGylated 18F-FBA-A20FMDV2 (1), it was the bi-terminally PEGylated 5 that displayed the more favorable combination of high α vβ 6 affinity, selectivity, and pharmacokinetic profile. In vitro, 5 bound to α vβ 6-expressing DX3puroβ6 and BxPC-3 cells with 60.5% ± 3.3% and 48.8% ± 8.3%, respectively, with a significant fraction of internalization (37.2% ± 4.0% and 37.6% ± 4.1% of total radioactivity, respectively). By comparison, in the DX3puro control 5 showed only 3.0% ± 0.5% binding and 0.9% ± 0.2% internalization. In vivo, 5 maintained high, α vβ 6-directed binding in the

Improved wear resistance of functional diamond like carbon coated Ti-6Al-4V alloys in an edge loading conditions.

PubMed

Choudhury, Dipankar; Lackner, Jürgen M; Major, Lukasz; Morita, Takehiro; Sawae, Yoshinori; Bin Mamat, Azuddin; Stavness, Ian; Roy, Chanchal K; Krupka, Ivan

2016-06-01

This study investigates the durability of functional diamond-like carbon (DLC) coated titanium alloy (Ti-6Al-4V) under edge loading conditions for application in artificial hip joints. The multilayered (ML) functional DLC coatings consist of three key layers, each of these layers were designed for specific functions such as increasing fracture strength, adapting stress generation and enhancing wear resistance. A 'ball-on-disk' multi-directional wear tester was used in the durability test. Prior to the wear testing, surface hardness, modulus elasticity and Raman intensity were measured. The results revealed a significant wear reduction to the DLC coated Ti-6Al-4V disks compared to that of non-coated Ti-6Al-4V disks. Remarkably, the counterpart Silicon Nitride (Si3N4) balls also yielded lowered specific wear rate while rubbed against the coated disks. Hence, the pairing of a functional multilayered DLC and Si3N4 could be a potential candidate to orthopedics implants, which would perform a longer life-cycle against wear caused by edge loading. Copyright © 2016 Elsevier Ltd. All rights reserved.

The black and white coatings on Ti-6Al-4V alloy or pure titanium by plasma electrolytic oxidation in concentrated silicate electrolyte

NASA Astrophysics Data System (ADS)

Han, Jun-xiang; Cheng, Yu-lin; Tu, Wen-bin; Zhan, Ting-Yan; Cheng, Ying-liang

2018-01-01

Black TiO2 has triggered scientific interest due to its unique properties such as enhanced solar-driven photocatalytic activity. In this paper, plasma electrolytic oxidation (PEO) treatment of Ti-6Al-4V alloy has been carried out in concentrated sodium silicate electrolyte. Silica-based black and white TiO2 coatings respectively have been obtained by controlling the oxidation time. The black coating, which was formed with a short treatment time, shows good corrosion resistance and the black appearance can be attributed to the presence of Ti2+ and Ti3+ in the coating. The lower valence titanium ions are absent in the white coatings and they also contain relatively higher Na content compared to the black coatings. The white coatings have great surface roughnesses and super hydrophilicity. The bonding strengths of the black and white coatings on the Ti-6Al-4V alloy are ∼14.4 and 4.3 MPa, respectively. The vanadium contributes little to the black appearance of the coating on Ti6Al4V alloy, since the same phenomena occur for the PEO of a pure titanium substrate.

Phase Constituents and Microstructure of Ti3Al/Fe3Al + TiN/TiB2 Composite Coating on Titanium Alloy

NASA Astrophysics Data System (ADS)

Li, Jianing; Chen, Chuanzhong; Zhang, Cuifang

Laser cladding of the Fe3Al + B4C/TiN + Al2O3 pre-placed powders on the Ti-6Al-4V alloy can form the Ti3Al/Fe3Al + TiN/TiB2 composite coating, which improved the wear resistance of the Ti-6Al-4V alloy surface. In this study, the Ti3Al/Fe3Al + TiN/TiB2 composite coating has been researched by means of X-ray diffraction and scanning electron microscope. It was found that during the laser cladding process, Al2O3 can react with TiB2, leading to the formations of Ti3Al and B. This principle can be used to improve the Fe3Al + B4C/TiN laser-cladded coating on the Ti-6Al-4V alloy. Furthermore, during the cladding process, C consumed the oxygen in Fe3Al + B4C /TiN + Al2O3 molten pool, which retarded the productions of the redundant metal oxides.

Nqrs Data for C6H7F4N2OSb (Subst. No. 0879)

NASA Astrophysics Data System (ADS)

Chihara, H.; Nakamura, N.

This document is part of Subvolume A `Substances Containing Ag … C10H15' of Volume 48 `Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III `Condensed Matter'. It contains an extract of Section `3.2 Data tables' of the Chapter `3 Nuclear quadrupole resonance data' providing the NQRS data for C6H7F4N2OSb (Subst. No. 0879)

Enhanced fatigue performance of porous coated Ti6Al4V biomedical alloy

NASA Astrophysics Data System (ADS)

Apachitei, I.; Leoni, A.; Riemslag, A. C.; Fratila-Apachitei, L. E.; Duszczyk, J.

2011-05-01

Biofunctional coatings are necessary to improve integration of titanium implants in the host tissue but they may be detrimental for the implant fatigue properties. This study presents an attempt towards enhancement of the in vitro fatigue strength of plasma electrolytic oxidation coated Ti6Al4V alloy by applying shot peening process prior to coating. The electrolytic oxidation was performed in calcium acetate and calcium glycerophosphate electrolytes that allowed formation of porous oxide coatings with high surface free energy and apatite like ability. A deformed surface layer coupled with induced residual compressive stresses seem to affect oxide growth rate and fatigue behavior of the titanium alloy.

Modeling of Processing-Induced Pore Morphology in an Additively-Manufactured Ti-6Al-4V Alloy

PubMed Central

Kabir, Mohammad Rizviul; Richter, Henning

2017-01-01

A selective laser melting (SLM)-based, additively-manufactured Ti-6Al-4V alloy is prone to the accumulation of undesirable defects during layer-by-layer material build-up. Defects in the form of complex-shaped pores are one of the critical issues that need to be considered during the processing of this alloy. Depending on the process parameters, pores with concave or convex boundaries may occur. To exploit the full potential of additively-manufactured Ti-6Al-4V, the interdependency between the process parameters, pore morphology, and resultant mechanical properties, needs to be understood. By incorporating morphological details into numerical models for micromechanical analyses, an in-depth understanding of how these pores interact with the Ti-6Al-4V microstructure can be gained. However, available models for pore analysis lack a realistic description of both the Ti-6Al-4V grain microstructure, and the pore geometry. To overcome this, we propose a comprehensive approach for modeling and discretizing pores with complex geometry, situated in a polycrystalline microstructure. In this approach, the polycrystalline microstructure is modeled by means of Voronoi tessellations, and the complex pore geometry is approximated by strategically combining overlapping spheres of varied sizes. The proposed approach provides an elegant way to model the microstructure of SLM-processed Ti-6Al-4V containing pores or crack-like voids, and makes it possible to investigate the relationship between process parameters, pore morphology, and resultant mechanical properties in a finite-element-based simulation framework. PMID:28772504

Modeling of Processing-Induced Pore Morphology in an Additively-Manufactured Ti-6Al-4V Alloy.

PubMed

Kabir, Mohammad Rizviul; Richter, Henning

2017-02-08

A selective laser melting (SLM)-based, additively-manufactured Ti-6Al-4V alloy is prone to the accumulation of undesirable defects during layer-by-layer material build-up. Defects in the form of complex-shaped pores are one of the critical issues that need to be considered during the processing of this alloy. Depending on the process parameters, pores with concave or convex boundaries may occur. To exploit the full potential of additively-manufactured Ti-6Al-4V, the interdependency between the process parameters, pore morphology, and resultant mechanical properties, needs to be understood. By incorporating morphological details into numerical models for micromechanical analyses, an in-depth understanding of how these pores interact with the Ti-6Al-4V microstructure can be gained. However, available models for pore analysis lack a realistic description of both the Ti-6Al-4V grain microstructure, and the pore geometry. To overcome this, we propose a comprehensive approach for modeling and discretizing pores with complex geometry, situated in a polycrystalline microstructure. In this approach, the polycrystalline microstructure is modeled by means of Voronoi tessellations, and the complex pore geometry is approximated by strategically combining overlapping spheres of varied sizes. The proposed approach provides an elegant way to model the microstructure of SLM-processed Ti-6Al-4V containing pores or crack-like voids, and makes it possible to investigate the relationship between process parameters, pore morphology, and resultant mechanical properties in a finite-element-based simulation framework.

Corrosion-fatigue life of commercially pure titanium and Ti-6Al-4V alloys in different storage environments.

PubMed

Zavanelli, R A; Pessanha Henriques, G E; Ferreira, I; De Almeida Rollo, J M

2000-09-01

Removable partial dentures are affected by fatigue because of the cyclic mechanism of the masticatory system and frequent insertion and removal. Titanium and its alloys have been used in the manufacture of denture frameworks; however, preventive agents with fluorides are thought to attack titanium alloy surfaces. This study evaluated, compared, and analyzed the corrosion-fatigue life of commercially pure titanium and Ti-6Al-4V alloy in different storage environments. For each metal, 33 dumbbell rods, 2.3 mm in diameter at the central segment, were cast in the Rematitan system. Corrosion-fatigue strength test was carried out through a universal testing machine with a load 30% lower than the 0.2% offset yield strength and a combined influence of different environments: in air at room temperature, with synthetic saliva, and with fluoride synthetic saliva. After failure, the number of cycles were recorded, and fracture surfaces were examined with an SEM. ANOVA and Tukey's multiple comparison test indicated that Ti-6Al-4V alloy achieved 21,269 cycles (SD = 8,355) against 19,157 cycles (SD = 3, 624) for the commercially pure Ti. There were no significant differences between either metal in the corrosion-fatigue life for dry specimens, but when the solutions were present, the fatigue life was significantly reduced, probably because of the production of corrosion pits caused by superficial reactions.

Microstructure Evolution During Warm Working of Ti-6Al-4V with a Colony Alpha Microstructure (Preprint)

DTIC Science & Technology

2008-09-01

6 maps such as those shown in Fig. 4 ; typical examples of the cumulative misorientation are given in Figs. 5 and 6 , respectively...misorientation line scans shown in Figs. 5 and 6 . Fig. 5. Typical line scans from EBSD maps in Fig. 4 showing the variation of orientation over a long...e g 0 2 4 6 8 10 12 14 16 (b) Distance, μm 0 20 40 60 80 100 C u m u l a t i v e m i s o r i e n t a t i o n , d e g 0 5 10 15

Degradation and removal of Ceftriaxone sodium in aquatic environment with Bi2WO6/g-C3N4 photocatalyst.

PubMed

Zhao, Yanyan; Liang, Xuhua; Wang, Yongbo; Shi, Huanxian; Liu, Enzhou; Fan, Jun; Hu, Xiaoyun

2018-08-01

Modern chemistry aims to identify outstanding photocatalytic materials for antibiotic degradation given the overuse and misuse of antibiotics. Herein, highly efficient heterojunction photocatalysts composed of Bi 2 WO 6 nanoflowers (BW) and g-C 3 N 4 nanosheets (CNNs) were successfully synthesized. The Bi 2 WO 6 /g-C 3 N 4 (BW/CNNs) were presented for Ceftriaxone sodium degradation in the aquatic environment at low concentrations under visible light irradiation. The 40%-BW/CNNs showed excellent photocatalytic activity, and approximately 94.50% Ceftriaxone sodium was degraded under visible lightirradiation for 120 min. h + and O 2 - played major roles compared with ·OH in the photocatalytic process. The degradation mechanism and the intermediate products were proposed to better understand the reaction process. Moreover, the as-prepared photocatalysts were highly stable in recycling photocatalytic experiments. Therefore, the photocatalysts prepared in the study showed outstanding photocatalytic activity and potential applications in inhibiting environmental pollution. In addition, this work provides a new insight for constructing other high-performance, low-cost photocatalysts for wastewater treatment. Copyright © 2018 Elsevier Inc. All rights reserved.

High-pressure coolant effect on the surface integrity of machining titanium alloy Ti-6Al-4V: a review

NASA Astrophysics Data System (ADS)

Liu, Wentao; Liu, Zhanqiang

2018-03-01

Machinability improvement of titanium alloy Ti-6Al-4V is a challenging work in academic and industrial applications owing to its low thermal conductivity, low elasticity modulus and high chemical affinity at high temperatures. Surface integrity of titanium alloys Ti-6Al-4V is prominent in estimating the quality of machined components. The surface topography (surface defects and surface roughness) and the residual stress induced by machining Ti-6Al-4V occupy pivotal roles for the sustainability of Ti-6Al-4V components. High-pressure coolant (HPC) is a potential choice in meeting the requirements for the manufacture and application of Ti-6Al-4V. This paper reviews the progress towards the improvements of Ti-6Al4V surface integrity under HPC. Various researches of surface integrity characteristics have been reported. In particularly, surface roughness, surface defects, residual stress as well as work hardening are investigated in order to evaluate the machined surface qualities. Several coolant parameters (including coolant type, coolant pressure and the injection position) deserve investigating to provide the guidance for a satisfied machined surface. The review also provides a clear roadmap for applications of HPC in machining Ti-6Al4V. Experimental studies and analysis are reviewed to better understand the surface integrity under HPC machining process. A distinct discussion has been presented regarding the limitations and highlights of the prospective for machining Ti-6Al4V under HPC.

Li(x)FeF6 (x = 2, 3, 4) battery materials: structural, electronic and lithium diffusion properties.

PubMed

Schroeder, Melanie; Eames, Christopher; Tompsett, David A; Lieser, Georg; Islam, M Saiful

2013-12-21

Lithium iron fluoride materials have attracted recent interest as cathode materials for lithium ion batteries. The electrochemical properties of the high energy density Li(x)FeF6 (x = 2, 3, 4) materials have been evaluated using a combination of potential-based and DFT computational methods. Voltages of 6.1 V and 3.0 V are found for lithium intercalation from Li2FeF6 to α-Li3FeF6 and α-Li3FeF6 to Li4FeF6 respectively. The calculated density of states indicate that Li2FeF6 possesses metallic states that become strongly insulating after lithium intercalation to form α-Li3FeF6. The large energy gain associated with this metal-insulator transition is likely to contribute to the associated large voltage of 6.1 V. Molecular dynamics simulations of lithium diffusion in α-Li3FeF6 at typical battery operating temperatures indicate high lithium-ion mobility with low activation barriers. These results suggest the potential for good rate performance of lithium iron fluoride cathode materials.

Synthesis and characterization of new fluoride-containing manganese vanadates A2Mn2V2O7F2 (A=Rb, Cs) and Mn2VO4F

NASA Astrophysics Data System (ADS)

Sanjeewa, Liurukara D.; McGuire, Michael A.; Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Ovidiu Garlea, V.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.

2016-09-01

Large single crystals of A2Mn2V2O7F2 (A=Rb, Cs) and Mn2VO4F were grown using a high-temperature (~600 °C) hydrothermal technique. Single crystal X-ray diffraction and powder X-ray diffraction were utilized to characterize the structures, which both possess MnO4F2 building blocks. The A2Mn2V2O7F2 series crystallizes as a new structure type in space group Pbcn (No. 60), Z=4 (Rb2Mn2V2O7F2: a=7.4389(17) Å, b=11.574(3) Å, c=10.914(2) Å; Cs2Mn2V2O7F2: a=7.5615(15) Å, b=11.745(2) Å, c=11.127(2) Å). The structure is composed of zigzag chains of edge-sharing MnO4F2 units running along the a-axis, and interconnected through V2O7 pyrovanadate groups. Temperature dependent magnetic susceptibility measurements on this interesting one-dimensional structural feature based on Mn2+ indicated that Cs2Mn2V2O7F2 is antiferromagnetic with a Neél temperature, TN=~3 K and a Weiss constant, θ, of -11.7(1) K. Raman and infrared spectra were also analyzed to identify the fundamental V-O vibrational modes in Cs2Mn2V2O7F2. Mn2(VO4)F crystalizes in the monoclinic space group of C2/c (no. 15), Z=8 with unit cell parameters of a=13.559(2) Å, b=6.8036(7) Å, c=10.1408(13) Å and β=116.16(3)°. The structure is associated with those of triplite and wagnerite. Dynamic fluorine disorder gives rise to complex alternating chains of five-and six-coordinate Mn2+. These interpenetrating chains are additionally connected through isolated VO4 tetrahedra to form the condensed structure.

The biological response to laser-aided direct metal-coated Titanium alloy (Ti6Al4V)

PubMed Central

Shin, T.; Lim, D.; Kim, Y. S.; Kim, S. C.; Jo, W. L.

2018-01-01

Objectives Laser-engineered net shaping (LENS) of coated surfaces can overcome the limitations of conventional coating technologies. We compared the in vitro biological response with a titanium plasma spray (TPS)-coated titanium alloy (Ti6Al4V) surface with that of a Ti6Al4V surface coated with titanium using direct metal fabrication (DMF) with 3D printing technologies. Methods The in vitro ability of human osteoblasts to adhere to TPS-coated Ti6Al4V was compared with DMF-coating. Scanning electron microscopy (SEM) was used to assess the structure and morphology of the surfaces. Biological and morphological responses to human osteoblast cell lines were then examined by measuring cell proliferation, alkaline phosphatase activity, actin filaments, and RUNX2 gene expression. Results Morphological assessment of the cells after six hours of incubation using SEM showed that the TPS- and DMF-coated surfaces were largely covered with lamellipodia from the osteoblasts. Cell adhesion appeared similar in both groups. The differences in the rates of cell proliferation and alkaline phosphatase activities were not statistically significant. Conclusions The DMF coating applied using metal 3D printing is similar to the TPS coating, which is the most common coating process used for bone ingrowth. The DMF method provided an acceptable surface structure and a viable biological surface. Moreover, this method is automatable and less complex than plasma spraying. Cite this article: T. Shin, D. Lim, Y. S. Kim, S. C. Kim, W. L. Jo, Y. W. Lim. The biological response to laser-aided direct metal-coated Titanium alloy (Ti6Al4V). Bone Joint Res 2018;7:357–361. DOI: 10.1302/2046-3758.75.BJR-2017-0222.R1. PMID:29922456

In vitro bio-functional performances of the novel superelastic beta-type Ti-23Nb-0.7Ta-2Zr-0.5N alloy.

PubMed

Ion, Raluca; Gordin, Doina-Margareta; Mitran, Valentina; Osiceanu, Petre; Dinescu, Sorina; Gloriant, Thierry; Cimpean, Anisoara

2014-02-01

The materials used for internal fracture fixations and joint replacements are mainly made of metals which still face problems ranging from higher rigidity than that of natural bone to leaching cytotoxic metallic ions. Beta (β)-type titanium alloys with low elastic modulus made from non-toxic and non-allergenic elements are desirable to reduce stress shielding effect and enhance bone remodeling. In this work, a new β-type Ti-23Nb-0.7Ta-2Zr-0.5N alloy with a Young's modulus of approximately 50 GPa was designed and characterized. The behavior of MC3T3-E1 pre-osteoblasts on the new alloy, including adhesion, proliferation and differentiation, was evaluated by examining the cytoskeleton, focal adhesion formation, metabolic activity and extracellular matrix mineralization. Results indicated that the pre-osteoblast cells exhibited a similar degree of attachment and growth on Ti-23Nb-0.7Ta-2Zr-0.5N and Ti-6Al-4V. However, the novel alloy proved to be significantly more efficient in sustaining mineralized matrix deposition upon osteogenic induction of the cells than Ti-6Al-4V control. Further, the analysis of RAW 264.7 macrophages cytokine gene and protein expression indicated no significant inflammatory response. Collectively, these findings suggest that the Ti-23Nb-0.7Ta-2Zr-0.5N alloy, which has an increased mechanical biocompatibility with bone, allows a better osteogenic differentiation of osteoblast precursor cells than Ti-6Al-4V and holds great potential for future clinical prosthetic applications. Copyright © 2013 Elsevier B.V. All rights reserved.

Radiographic inspection of porosity in Ti-6Al-4V laser-welded joints.

PubMed

Nuñez-Pantoja, Juliana Maria Costa; Takahashi, Jessica Mie Ferreira Koyama; Nóbilo, Mauro Antônio de Arruda; Consani, Rafael Leonardo Xediek; Mesquita, Marcelo Ferraz

2011-01-01

Widely used in dentistry, Ti-6Al-4V alloy is difficult to cast and solder, as it frequently exhibits pores inside the structure. This study was conducted to evaluate the effect of joint openings and diameters of laser-welded joints executed in Ti-6Al-4V structures on the presence of pores as checked by radiographic procedures. Sixty dumbbell rods with central diameters of 1.5, 2.0 and 3.5 mm were created from Ti-6Al-4V-wrought bars. Specimens were sectioned and welded using two joint openings (0.0 and 0.6 mm). The combination of variables created six groups (n = 10). Laser welding was executed using 360V/8ms (1.5 and 2.0 mm) and 380V/9ms (3.5 mm), with the focus and frequency set to zero. The joints were finished, polished and submitted to radiographic examination. The radiographs were visually examined for the presence of pores in the joints, qualitatively. The percentage of radiographic presence of pores was calculated without counting pores per joint. Data were analyzed using a chi-square test (α = 0.05). For the 1.5-mm specimens, the incidence of pore presence was significantly higher (p = 0.0001) when using 0.6-mm joint openings (40%) compared to 0.0-mm openings (0%). For the 2.0-mm specimens, there was no significant difference between groups (p = 0.2008). However, for the 3.5-mm specimens, the incidence of pore presence was lower (p = 0.0061) for 0.6-mm openings (50%) compared to 0.0-mm openings (70%). Therefore, laser welding of Ti-6Al-4V structures with thin diameters provides the best condition for the juxtaposition of the parts.

Effect of Heat Treatment on the Structure and Properties of Explosion Welded Bimetal Kh20N80 + AD1

NASA Astrophysics Data System (ADS)

Shmorgun, V. G.; Arisova, V. N.; Slautin, O. V.; Taube, A. O.; Bakuntseva, V. M.

2017-05-01

Results of a study of the effect of heat treatment on the microhardness, structure and phase composition of diffusion zone in explosion-welded `refractory nickel alloy Kh20N80 + aluminum alloy AD1' bimetal are presented.

Synthesis and characterization of new fluoride-containing manganese vanadates A 2Mn 2V 2O 7F 2 (A=Rb, Cs) and Mn 2VO 4F

DOE PAGES

Sanjeewa, Liurukara D.; McGuire, Michael A.; Smith Pellizzeri, Tiffany M.; ...

2016-05-10

In large single crystals of A 2Mn 2V 2O 7F 2 (A=Rb, Cs) and Mn 2VO 4F were grown using a high-temperature (~600 °C) hydrothermal technique. We utilized single crystal X-ray diffraction and powder X-ray diffraction in order to characterize the structures, which both possess MnO 4F 2 building blocks. The A 2Mn 2V 2O 7F 2 series crystallizes as a new structure type in space group Pbcn (No. 60), Z=4 (Rb 2Mn 2V 2O 7F 2: a=7.4389(17) Å, b=11.574(3) Å, c=10.914(2) Å; Cs 2Mn 2V 2O 7F 2: a=7.5615(15) Å, b=11.745(2) Å, c=11.127(2) Å). The structure is composed ofmore » zigzag chains of edge-sharing MnO 4F 2 units running along the a-axis, and interconnected through V 2O 7 pyrovanadate groups. Temperature dependent magnetic susceptibility measurements on this interesting one-dimensional structural feature based on Mn 2+ indicated that Cs 2Mn 2V 2O 7F 2 is antiferromagnetic with a Neél temperature, TN=~3 K and a Weiss constant, θ, of -11.7(1) K. Raman and infrared spectra were also analyzed to identify the fundamental V–O vibrational modes in Cs 2Mn 2V 2O 7F 2. Mn 2(VO 4)F crystalizes in the monoclinic space group of C2/c (no. 15), Z=8 with unit cell parameters of a=13.559(2) Å, b=6.8036(7) Å, c=10.1408(13) Å and β=116.16(3)°. The structure is associated with those of triplite and wagnerite. Dynamic fluorine disorder gives rise to complex alternating chains of five-and six-coordinate Mn 2+. Our interpenetrating chains are additionally connected through isolated VO 4 tetrahedra to form the condensed structure.« less

Evaluation of anti-melanoma activities of (1S,2E,4R,6E,8R,11S,12R)-8,12-epoxy-2,6-cembradiene-4,11-diol, (1S,2E,4R,6E,8S,11R,12S)-8,11-epoxy-4,12-epoxy-2,6-cembradiene and (1S,4R,13S)-cembra-2E,7E,11E-trien-4,13-diol from the Red Sea soft coral Sarcophyton glaucum.

PubMed

Szymanski, Pawel T; Ahmed, Safwat A; Radwan, Mohamed M; Khalifa, Sherief I; Fahmy, Hesham

2014-08-01

Three natural cembranoids from the Red Sea soft coral Sarcophyton glaucum namely (1S,2E,4R,6E,8R,11S,12R)-8,12-epoxy-2,6-cembradiene-4,11-diol, (1S,2E,4R,6E,8S,11R,12S)-8,11-epoxy-4,12-epoxy-2,6-cembradiene and (1S,4R,13S)-cembra-2E,7E,11E-trien-4,13-diol were evaluated for their inhibitory effects on mouse melanoma B16F10 cell growth. Results show that all the cembranoids strongly inhibit viability of melanoma cells particularly during 48 -72 hrs treatment and also inhibit de novo DNA synthesis and PARP activity and stimulate fragmentation of DNA. (1S,2E,4R,6E,8R,11S,12R)-8,12-epoxy-2,6-cembradiene-4,11-diol was not cytotoxic to monkey kidney CV-1 cells at the concentration that produces the anti-melanoma effects which indicates that this compound may be a good candidate for further development. (1S,2E,4R,6E,8S,11R,12S)-8,11-epoxy-4,12-epoxy-2,6-cembradiene and (1S,4R,13S)-cembra-2E,7E,11E-trien-4,13-diol were found to be cytotoxic to healthy cells.

Internal motion and its pressure dependence in FeSiF6+6/H2O/.

NASA Technical Reports Server (NTRS)

Vaughan, R. W.; Nicolaides, G. L.; Elleman, D. D.

1972-01-01

Both wideline and pulsed NMR techniques were used to examine the internal motion in FeSiF6+6(H2O). Corrections of second moments for bulk paramagnetic effects were essential. At room temperature and pressure, the fluorine-fluorine contribution to the 19F second moment is 0.38 (plus or minus 0.06) G2, and indicates rapid orientation of the SiF6(--) group. Analysis of the second moment within the transition region allows calculation of an activation volume which is 2.4 (plus or minus 0.4) % of the molar volume. The application of pressure slows the internal motion such that the rigid lattice values of the 19F second moment are obtained above 50 kbar.

Constitutive Equations and ANN Approach to Predict the Flow Stress of Ti-6Al-4V Alloy Based on ABI Tests

NASA Astrophysics Data System (ADS)

Wang, Fuzeng; Zhao, Jun; Zhu, Ningbo

2016-11-01

The flow behavior of Ti-6Al-4V alloy was studied by automated ball indentation (ABI) tests in a wide range of temperatures (293, 493, 693, and 873 K) and strain rates (10-6, 10-5, and 10-4 s-1). Based on the experimental true stress-plastic strain data derived from the ABI tests, the Johnson-Cook (JC), Khan-Huang-Liang (KHL) and modified Zerilli-Armstrong (ZA) constitutive models, as well as artificial neural network (ANN) methods, were employed to predict the flow behavior of Ti-6Al-4V. A comparative study was made on the reliability of the four models, and their predictability was evaluated in terms of correlation coefficient ( R) and mean absolute percentage error. It is found that the flow stresses of Ti-6Al-4V alloy are more sensitive to temperature than strain rate under current experimental conditions. The predicted flow stresses obtained from JC model and KHL model show much better agreement with the experimental results than modified ZA model. Moreover, the ANN model is much more efficient and shows a higher accuracy in predicting the flow behavior of Ti-6Al-4V alloy than the constitutive equations.

Hmga2 promotes the development of myelofibrosis in Jak2V617F knockin mice by enhancing TGF-β1 and Cxcl12 pathways.

PubMed

Dutta, Avik; Hutchison, Robert E; Mohi, Golam

2017-08-17

Myelofibrosis (MF) is a devastating blood disorder. The JAK2V617F mutation has been detected in ∼50% cases of MF. Elevated expression of high-mobility group AT hook 2 (HMGA2) has also been frequently observed in patients with MF. Interestingly, upregulation of HMGA2 expression has been found in association with the JAK2V617F mutation in significant cases of MF. However, the contribution of HMGA2 in the pathogenesis of MF remains elusive. To determine the effects of concurrent expression of HMGA2 and JAK2V617F mutation in hematopoiesis, we transduced bone marrow cells from Jak2 V617F knockin mice with lentivirus expressing Hmga2 and performed bone marrow transplantation. Expression of Hmga2 enhanced megakaryopoiesis, increased extramedullary hematopoiesis, and accelerated the development of MF in mice expressing Jak2 V617F Mechanistically, the data show that expression of Hmga2 enhances the activation of transforming growth factor-β1 (TGF-β1) and Cxcl12 pathways in mice expressing Jak2 V617F In addition, expression of Hmga2 causes upregulation of Fzd2, Ifi27l2a, and TGF-β receptor 2. Forced expression of Cxcl12, Fzd2, or Ifi27l2a increases megakaryocytic differentiation and proliferation in the bone marrow of Jak2 V617F mice, whereas TGF-β1 or Cxcl12 stimulation induces collagen deposition in the bone marrow mesenchymal stromal cells. Together, these findings demonstrate that expression of Hmga2 cooperates with Jak2 V617F in the pathogenesis of MF. © 2017 by The American Society of Hematology.

Quantitative anti-F1 and anti-V IgG ELISAs as serological correlates of protection against plague in female Swiss Webster mice.

PubMed

Little, S F; Webster, W M; Wilhelm, H; Fisher, D; Norris, S L W; Powell, B S; Enama, J; Adamovicz, J J

2010-01-22

A recombinant fusion protein composed of Yersinia pestis fraction 1 capsule (F1) and virulence-associated V antigen (V) (F1-V) has been developed as the next-generation vaccine against plague. In this study, female Swiss Webster mice received a single intramuscular vaccination with one of eight doses of the F1-V vaccine and exposed 4 weeks later to either Y. pestis CO92 or C12 organisms by the subcutaneous or aerosol routes of infection. Quantitative anti-F1 and anti-V immunoglobulin G (IgG) ELISAs were used to examine the relationship between survival outcome and antibody titers to F1 and V. Results suggested that each 1log(10) increase in week 4 quantitative anti-F1 and anti-V IgG ELISA titers were associated with a 1.7-fold (p=0.0051) and 2.5-fold (p=0.0054) increase in odds of survival, respectively, against either bubonic or pneumonic plague and may serve as serological correlates of protection.

Sol-gel synthesis of K{sub 3}InF{sub 6} and structural characterization of K{sub 2}InC{sub 10}O{sub 10}H{sub 6}F{sub 9}, K{sub 3}InC{sub 12}O{sub 14}H{sub 4}F{sub 18} and K{sub 3}InC{sub 12}O{sub 12}F{sub 18}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Labeguerie, Jessica; Gredin, Patrick; Marrot, Jerome

2005-10-15

K{sub 3}InF{sub 6} is synthesized by a sol-gel route starting from indium and potassium acetates dissolved in isopropanol in the stoichiometry 1:3, with trifluoroacetic acid as fluorinating agent. The crystal structures of the organic precursors were solved by X-ray diffraction methods on single crystals. Three organic compounds were isolated and identified: K{sub 2}InC{sub 10}O{sub 10}H{sub 6}F{sub 9}, K{sub 3}InC{sub 12}O{sub 14}H{sub 4}F{sub 18} and K{sub 3}InC{sub 12}O{sub 12}F{sub 18}. The first one, deficient in potassium in comparison with the initial stoichiometry, is unstable. In its crystal structure, acetate as well as trifluoroacetate anions are coordinated to the indium atom. Themore » two other precursors are obtained, respectively, by quick and slow evaporation of the solution. They correspond to the final organic compounds, which give K{sub 3}InF{sub 6} by decomposition at high temperature. The crystal structure of K{sub 3}InC{sub 12}O{sub 14}H{sub 4}F{sub 18} is characterized by complex anions [In(CF{sub 3}COO){sub 4}(OH{sub x}){sub 2}]{sup (5-2x)-} and isolated [CF{sub 3}COOH{sub 2-x}]{sup (x-1)-} molecules with x=2 or 1, surrounded by K{sup +} cations. The crystal structure of K{sub 3}InC{sub 12}O{sub 12}F{sub 18} is only constituted by complex anions [In(CF{sub 3}COO){sub 6}]{sup 3-} and K{sup +} cations. For all these compounds, potassium cations ensure only the electroneutrality of the structure. IR spectra of K{sub 2}InC{sub 10}O{sub 10}H{sub 6}F{sub 9} and K{sub 3}InC{sub 12}O{sub 12}F{sub 18} were also performed at room temperature on pulverized crystals.« less

Effect of Thermodiffusion Nitriding on Cytocompatibility of Ti-6Al-4V Titanium Alloy

NASA Astrophysics Data System (ADS)

Pohrelyuk, I. M.; Tkachuk, O. V.; Proskurnyak, R. V.; Boiko, N. M.; Kluchivska, O. Yu.; Stoika, R. S.

2016-04-01

The nitrided layer was formed on the surface of Ti-6Al-4V titanium alloy by the thermodiffusion saturation in nitrogen at the atmospheric pressure. The study of the vitality of pseudonormal human embryo kidney cells of the HEK293T line showed that their cultivation in the presence of the untreated alloy sample is accompanied by a statistically significant reduction in the number of living cells compared with the control sample (untreated cells), whereas their cultivation in the presence of the nitrided alloy sample does not change the cell number considerably. In addition, it was shown that cell behavior in the presence of the nitrided sample differs only slightly from the control sample, whereas the growth of cells in the presence of the untreated alloy differed significantly from that in the control sample, demonstrating small groups of cells instead of their big clusters.

Assembly of a new inorganic-organic frameworks based on [Sb4Mo12(OH)6O48]10- polyanion

NASA Astrophysics Data System (ADS)

Thabet, Safa; Ayed, Meriem; Ayed, Brahim; Haddad, Amor

2014-10-01

A new organic-inorganic hybrid material, (C4N2H7)8[K(H2O)]2[Sb4Mo12(OH)6O48]ṡ16H2O (1) has been isolated by the conventional solution method and characterized by elemental analysis, single-crystal X-ray diffraction, infrared spectroscopy, UV-visible spectroscopies, cyclic voltammetry and TG-DTA analysis. The compound crystallizes in the triclinic space group P - 1 with a = 13.407(6) Å, b = 13.906(2) Å, c = 14.657(7) Å, α = 77.216(9)°, β = 71.284(6)°, γ = 71.312(3)° and Z = 1. The crystal structure exhibits an infinite 1D inorganic structure built from [Sb4Mo12(OH)6O48]10- clusters and potassium cations; adjacent chains are further joined up hydrogen bonding interactions between protonated 2-methylimidazolim cations, water molecules and polyoxoanions to form a 3D supramolecular architecture.

Detection of JAK2 V617F mutation increases the diagnosis of myeloproliferative neoplasms

PubMed Central

ZHANG, SHU-PENG; LI, HUI; LAI, REN-SHENG

2015-01-01

The Janus kinase (JAK)2 gene, which is located on chromosome 9p24, is involved in the signaling transduction pathways of the hematopoietic and immune system. Mutations in the JAK2 gene have served as disease markers for myeloproliferative neoplasms (MPNs). The aim of the present study was to investigate the occurrence of the JAK2 gene mutation in 140 clinical samples, and to evaluate its clinical significance in MPNs and other hematological diseases. Genomic DNA was extracted from the peripheral blood leukocytes or bone marrow karyocytes of 140 clinical samples, which included 130 patients with various types of hematological disease and 10 control patients. In addition, exons 12 and 14 of the JAK2 gene were analyzed by direct sequencing and the mutation rates of various MPN subtypes were evaluated. Of the 140 samples, exons 12 and 14 were tested in 74 samples, however, exon 14 only was tested in 66 samples. No mutations were identified in exon 12. The V617F mutation rate in polycythemia vera was 82.1% (23/28), and the mutation rates in essential thrombocythemia histiocytosis, primary myelofibrosis and other MPNs were 53.1% (17/32), 40.0% (4/10) and 60.0% (6/10), respectively. Therefore, the total mutation rate of the JAK2 gene in MPN was 62.5% (50/80). For non-MPN hematological diseases, four V617F mutations were detected in samples of leukocytosis of unknown origin (4/12), however, no JAK2 V617F mutations were identified in the 10 controls. Therefore, JAK2 V617F mutations may present a novel marker for diagnosis of MPNs. Furthermore, the direct sequencing method appeared to be satisfactory for the clinical gene testing of hematological samples. PMID:25624900

Densification of Monoclinic ZrO2 with Vanadate Additives.

DTIC Science & Technology

1982-07-15

34 Soy.,_P_0A,y1.t. g , 1217] 597-99 (1973). 10. A. P. Mozhaev , N. N. Oleinikov, N. S. Shumilkin, and V . I. Fadeeva, ’’Reaction of Lithium Ferrite with...0 0 0 - C7 -8 0 0 0 g @00 USEZ-1+I.SWt.% V 2 0 5 -9-- HEATING 8 COOLING’ a S -10 0 0 0 0 -10 0 -- 1.00 1.25 1.50 1.75 2.00 2.25 2.50 IOO/T (0K) FIGURE...TR-4 UNLASSIFIED Neee4-78-C-e279 F/ G 7/2 N EhhhhhhhhFm I flfllflfllfl"flflmfl mhEhEEE 1.01 -*O 1 2.5I m" 12.2 *1..8 Il1.25 11111.4 11.6 ii i-ii i- I

Effect of thermal oxidation on corrosion and corrosion-wear behaviour of a Ti-6Al-4V alloy.

PubMed

Güleryüz, Hasan; Cimenoğlu, Hüseyin

2004-07-01

In this study, comparative investigation of thermal oxidation treatment for Ti-6Al-4V was carried out to determine the optimum oxidation conditions for further evaluation of corrosion-wear performance. Characterization of modified surface layers was made by means of microscopic examinations, hardness measurements and X-ray diffraction analysis. Optimum oxidation condition was determined according to the results of accelerated corrosion tests made in 5m HCl solution The examined Ti-6Al-4V alloy exhibited excellent resistance to corrosion after oxidation at 600 degrees C for 60 h. This oxidation condition achieved 25 times higher wear resistance than the untreated alloy during reciprocating wear test conducted in a 0.9% NaCl solution.

The effect of impurities elements on titanium alloy (Ti-6Al-4V) MIM sintered part properties

NASA Astrophysics Data System (ADS)

Ahmad, M. Azmirruddin; Jabir, M.; Johari, N.; Ibrahim, R.; Hamidi, N.

2017-12-01

The titanium alloys (Ti-6Al-4V) compact were fabricated by Metal Injection Molding (MIM). However, the real challenge of MIM processing for titanium alloy is its affinity to be contaminated by interstitial light elements such as oxygen and carbon which could degrade the mechanical properties of sintered titanium alloy such as its tensile strength and ductility. The sintering temperature effect on carbon and oxygen content that affects its physical and mechanical properties of the sintered titanium alloy was studied. The titanium MIM brown specimen was sintered at four different sintering temperatures which are 1100 °C, 1150 °C, 1200 °C and 1250 °C for 4 hours under furnace control atmosphere. The experimental result indicated that the specimen which has been made from 100% gas atomized powder have a relative density of 92.2 % - 97.6 %, the range of porosity percent around 2.38 %-3.84 %. Ultimate tensile strength of 873.11 MPa - 1007.19 MPa and ductility percent in range of 1.89 %-3.46 %. The titanium alloy MIM specimen which was sintered at 1150 °C contained 0.145 % of carbon and 0.143 % of oxygen possess the highest value of density and tensile strength, with value of 4.344 gcm-3 and 1007.2 MPa respectively. Meanwhile, the titanium alloy MIM specimen which was sintered at 1200 °C contains 0.130 % of carbon and 0.127 % of oxygen, has the highest percentage of ductility with 3.46 %. The carbon content level increased as the sintering temperature increased due to decomposition of high molecule weight of residue binder system which could not be eliminated during solvent extraction debinding process and sintered at low temperature. Contrarily, the oxygen content level indicates a decrease as the sintering temperature increased. Briefly, the sintering temperature could influence the physical and mechanical properties of titanium alloy MIM sintered specimen as it influences the oxygen and carbon content level in the alloys.

N,N-dimethyl-2-(2-amino-4-(18)F-fluorophenylthio)-benzylamine (4-(18)F-ADAM): an improved PET radioligand for serotonin transporters.

PubMed

Shiue, Grace G; Choi, Seok-Rye; Fang, Ping; Hou, Catherine; Acton, Paul D; Cardi, Chris; Saffer, Janet R; Greenberg, Joel H; Karp, Joel S; Kung, Hank F; Shiue, Chyng-Yann

2003-12-01

There has been considerable interest in the development of PET radioligands that are useful for imaging serotonin transporter (SERT) in the living human brain. For the last decade, (11)C-(+)McN5652 has been the most promising PET agent for studying SERT in humans. However, this agent has some limitations. Recently, a new promising SERT PET radioligand, 3-(11)C-amino-4-(2-dimethylaminomethylphenylsulfanyl)benzonitrile, has been reported. We recently reported the synthesis of a new (18)F-labeled SERT PET radioligand, N,N-dimethyl-2-(2-amino-4-(18)F-fluorophenylthio)benzylamine (4-(18)F-ADAM), which may have advantages over (11)C-labeled radioligands. The purpose of this study was to evaluate this newly developed (18)F-labeled PET radioligand as a promising agent for studying SERT in the living human brain. This agent was evaluated by studying its in vitro binding to different monoamine transporters, its in vivo biodistributions in rats, its integrity and pharmacologic profiles in rat brain, and its distribution in a female baboon brain. In vitro binding assays showed that 4-F-ADAM displayed high affinity to SERT sites (inhibition constant = 0.081 nmol/L, using membrane preparations of LLC-PK1 cells expressing the specific transporter) and showed more than 1,000- and 28,000-fold selectivity for SERT over norepinephrine transporter and dopamine transporter, respectively. Biodistribution of 4-(18)F-ADAM in rats showed a high initial uptake and slow clearance in the brain (2.13%, 1.90%, and 0.95% injected dose per organ at 2, 30, and 60 min after intravenous injection, respectively), with the specific binding peaking at 2 h after injection (hypothalamus/cerebellum = 12.49). The uptake in blood, muscle, lung, kidney, and liver was also initially high but cleared rapidly. The radioactivity in the femur increases with time for 4-(18)F-ADAM, indicating that in vivo defluorination may occur. In vivo metabolism studies in rats showed that 4-(18)F-ADAM was not metabolized in

Process Modeling of Ti-6Al-4V Linear Friction Welding (LFW)

DTIC Science & Technology

2012-10-01

metallurgy of Ti-6Al-4V to predict microstructure and mechanical properties within the LFW joints (as a function of the LFW process parameters). A... metallurgy aspects of Ti-6Al-4V are reviewed in section 2. The LFW behavior of the same alloy is discussed in section 3. The fully coupled...6. 2. Physical Metallurgy of Ti-6Al-4V Before one can expect to successfully complete the task of understanding the effect of FSW process parameters

Unconventionally prepared TiO2/g-C3N4 photocatalysts for photocatalytic decomposition of nitrous oxide

NASA Astrophysics Data System (ADS)

Troppová, Ivana; Šihor, Marcel; Reli, Martin; Ritz, Michal; Praus, Petr; Kočí, Kamila

2018-02-01

The TiO2/g-C3N4 nanocomposites with the various TiO2:g-C3N4 weight ratios from 1:1 to 1:3 were prepared unconventionally by pressurized hot water processing in a flow regime. The parent TiO2 and g-C3N4 was prepared by thermal hydrolysis and thermal annealing, respectively. The nanocomposites as well as parent TiO2 and g-C3N4 were characterized using several complementary characterization methods and investigated in the photocatalytic decomposition of N2O under UVA (λ = 365 nm) irradiation. All the prepared TiO2/g-C3N4 nanocomposites showed higher photocatalytic activity in comparison with the pure g-C3N4 and chiefly pure TiO2. The photocatalytic activity of TiO2/g-C3N4 nanocomposites was decreasing in the following sequence: TiO2/g-C3N4 (1:3) > TiO2/g-C3N4 (1:2) > TiO2/g-C3N4 (1:1). In comparison with the parent TiO2 or g-C3N4, the TiO2/g-C3N4 nanocomposites' photocatalytic capability was significantly enhanced by coupling TiO2 with g-C3N4. The generation of TiO2/g-C3N4 Z-scheme photocatalyst mainly benefited from the effective separation of photoinduced electron-hole pairs and the extended optical absorption range. The TiO2/g-C3N4 (1:3) nanocomposite showed the best photocatalytic behavior in a consequence of the optimal weight ratio of TiO2:g-C3N4 and the lowest band gap energy from all nanocomposites. The N2O conversion in its presence was 70.6% after 20 h of UVA irradiation.

Effect of volume fraction of alpha and transformed beta on the high cycle fatigue properties of bimodal Ti6Al4V alloy

NASA Astrophysics Data System (ADS)

Jadhav, Shital; Powar, Amit; Patil, Sandip; Supare, Ashish; Farane, Bhagwan; Singh, Rajkumar, Dr.

2017-05-01

The present study was performed to investigate the effect of volume fraction of alpha and transformed beta phase on the high-cycle fatigue (HCF) properties of the bimodal titanium Ti6Al4V alloy. The effect of such morphology on mechanical properties was studied using tensile and rotating bending fatigue test as per ASTM standards. Microstructures and fractography of the specimens were studied using optical and scanning electron microscopy (SEM) respectively.Ti6Al4V alloy samples were heat treated to have three distinctive volume fractions of alpha and transformed beta phase. With an increase in quench delay from 30,50 and 70 sec during quenching after solutionizing temperature of 967°C, the volume fraction of alpha was found to be increased from 20% to 67%. Tests on tensile and rotating bending fatigue showed that the specimen with 20% volume fraction of alpha phase exhibited the highest tensile and fatigue strength, however the properties gets deteriorate with increase in volume fraction of alpha.

Anisotropy of the Hot Plastic Deformation of Ti-6Al-4V Single-Colony Samples (Preprint)

DTIC Science & Technology

2009-04-01

April 2009 Journal Article Preprint 01 April 2009- 01 April 2009 4 . TITLE AND SUBTITLE ANISOTROPY OF THE HOT PLASTIC DEFORMATION OF Ti-6Al-4V SINGLE...COLONY SAMPLES (PREPRINT) 5a. CONTRACT NUMBER In-house 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 62102F 6 . AUTHOR(S) A.A. Salem and S.L...resistance, and low density, Ti-6Al-4V is the most commonly used alpha/beta titanium alloy. It accounts for approximately 80% of the total titanium used in

Vacuum Pressureless Sintering of Ti-6Al-4V Alloy with Full Densification and Forged-Like Mechanical Properties

NASA Astrophysics Data System (ADS)

Zhang, Ce; Lu, Boxin; Wang, Haiying; Guo, Zhimeng; Paley, Vladislav; Volinsky, Alex A.

2018-01-01

Ti-6Al-4V ingots with a nearly 100% density, fine and homogeneous basket-weave microstructure, and better comprehensive mechanical properties (UTS = 935 MPa, Y.S. = 865 MPa, El. = 15.8%), have been manufactured by vacuum pressureless sintering of blended elemental powders. Coarse TiH2 powder, Al powder (2, 20 μm), V powder, and Al-V master alloy powder were used as raw materials to produce different powder mixtures ( D 50 = 10 μm). Then, the compacts made by cold isostatic pressing were consolidated by different sintering curves. A detailed investigation of different as-sintered samples revealed that a higher density can be obtained by generating transient molten Al in the sintering process. Coarse Al powder and a rapid heating rate under the melting point of Al contribute to molten Al formation. The presence of temporary liquid phase changes the sintering mechanism, accelerating the sintering neck formation, improving sinterability of the powder mixtures. Density of 99.5% was achieved at 1150 °C, which is markedly lower than the sintering temperatures reported for conventional blended elemental powder metallurgy routes. In addition, low interstitial content, especially for oxygen (0.17 wt.%), is obtained by strict process control.

Modification of Ti6Al4V surface by diazonium compounds

NASA Astrophysics Data System (ADS)

Sandomierski, Mariusz; Buchwald, Tomasz; Strzemiecka, Beata; Voelkel, Adam

2018-02-01

Ti6Al4V alloy is the most commonly used in orthopedic industry as an endoprosthesis. Ti6Al4V exhibits good mechanical properties, except the abrasion resistance. Surface modification of Ti6Al4V in order to obtain organic layer, and then the attachment of the polymer, can allow for overcoming this problem. The aim of the work was the modification of Ti6Al4V surface by diazonium compounds: salt or cation generated in situ and examine the influence of the reducing agent - ascorbic acid, and the temperature of reaction on modification process. Moreover, the simulated body fluid was used for the assessment of the organic layer stability on Ti6Al4V surface. The evaluation of the modification was carried out using the following methods: Raman microspectroscopy, scanning electron microscopy and energy-dispersive X-ray spectroscopy. Higher temperature of modification by 4-hydroxymethylbenzenediazonium cation, provides the largest amount of organic layer on the Ti6Al4V alloy. In the case of the Ti6Al4V modified by Variamine Blue B salt, the amount of organic layer is not dependent on the reaction condition. Moreover, the ascorbic acid and the presence of TiO2 does not effect on the modification. The modified surface is completely coated with the organic layer which is stable in simulated body fluid.

Laser surface modification of Ti--6Al--4V: wear and corrosion characterization in simulated biofluid.

PubMed

Singh, Raghuvir; Kurella, A; Dahotre, Narendra B

2006-07-01

Laser surface melting (LSM) of Ti-6Al-4V is performed in argon to improve its properties, such as microstructure, corrosion, and wear for biomedical applications. Corrosion behavior is investigated by conducting electrochemical polarization experiments in simulated body fluid (Ringer's solution) at 37 C. Wear properties are evaluated in Ringer's solution using pin-on-disc apparatus at a slow speed. Untreated Ti-6Al-4V contains alpha+beta phase. After laser surface melting, it transforms to acicular alpha embedded in the prior beta matrix. Grain growth in the range of 65-89 microm with increase in laser power from 800 to 1500 W due to increase in associated temperature is observed. The hardness of as-laserprocessed Ti-6Al-4V alloy is more (275-297 HV) than that of the untreated alloy (254 HV). Passivation currents are significantly reduced to < 4.3 microA/cm2 after laser treatment compared to untreated Ti-6Al-4V (approximately 12 microA/cm2). The wear resistance of laser-treated Ti-6Al-4V in simulated body fluid is enhanced compared to that of the untreated one. It is the highest for the one that is processed at a laser power of 800 W. Typical micro-cutting features of abrasive wear is the prominent mechanism of wear in both untreated and as-laser-treated Ti-6Al-4V. Fragmentation of wear debris assisted by microcracking was responsible for mass loss during the wear of untreated Ti-6Al-4V in Ringer's solution.

Microstructure and Mechanical Properties of Laser Solid Formed Ti-6Al-4V Alloy Under Dynamic Shear Loading

NASA Astrophysics Data System (ADS)

Zhou, Ping; Guo, Wei-Guo; Su, Yu; Wang, Jianjun; Lin, Xin; Huang, Weidong

2017-07-01

To investigate the mechanical properties of the Ti-6Al-4V alloy fabricated by laser solid forming technology, both static and dynamic shear tests were conducted on hat-shaped specimens by a servohydraulic testing machine and an enhanced split Hopkinson pressure bar system, over a temperature range of 173-573 K. The microstructure of both the original and deformed specimens was characterized by optical microscopy and scanning electron microscopy. The results show that: (1) the anisotropy of shear properties is not significant regardless of the visible stratification and the prior- β grains that grow epitaxially along the depositing direction; (2) the ultimate shear strength of this material is lower than that of those Ti-6Al-4V alloys fabricated by forging and extrusion; (3) the adiabatic shear bands of approximately 25.6-36.4 μm in width can develop at all selected temperatures during the dynamic shear deformation; and (4) the observed microstructure and measured microhardness indicate that the grains become refined in adiabatic shear band. Estimation of the temperature rise shows that the temperature in shear band exceeds the recrystallization temperature. The process of rotational dynamic recrystallization is considered to be the cause of the grain refinement in shear band.

Effect of Surface Modifications of Ti40Zr10Cu38Pd12 Bulk Metallic Glass and Ti-6Al-4V Alloy on Human Osteoblasts In Vitro Biocompatibility

PubMed Central

Blanquer, Andreu; Hynowska, Anna; Nogués, Carme; Ibáñez, Elena; Sort, Jordi; Baró, Maria Dolors; Özkale, Berna; Pané, Salvador; Pellicer, Eva

2016-01-01

The use of biocompatible materials, including bulk metallic glasses (BMGs), for tissue regeneration and transplantation is increasing. The good mechanical and corrosion properties of Ti40Zr10Cu38Pd12 BMG and its previously described biocompatibility makes it a potential candidate for medical applications. However, it is known that surface properties like topography might play an important role in regulating cell adhesion, proliferation and differentiation. Thus, in the present study, Ti40Zr10Cu38Pd12 BMG and Ti6-Al-4V alloy were surface-modified electrochemically (nanomesh) or physically (microscratched) to investigate the effect of material topography on human osteoblasts cells (Saos-2) adhesion, proliferation and differentiation. For comparative purposes, the effect of mirror-like polished surfaces was also studied. Electrochemical treatments led to a highly interconnected hierarchical porous structure rich in oxides, which have been described to improve corrosion resistance, whereas microscratched surfaces showed a groove pattern with parallel trenches. Cell viability was higher than 96% for the three topographies tested and for both alloy compositions. In all cases, cells were able to adhere, proliferate and differentiate on the alloys, hence indicating that surface topography plays a minor role on these processes, although a clear cell orientation was observed on microscratched surfaces. Overall, our results provide further evidence that Ti40Zr10Cu38Pd12 BMG is an excellent candidate, in the present two topographies, for bone repair purposes. PMID:27243628

Comparative Study of Multiplet Structures of Mn4+ in K2SiF6, K2GeF6, and K2TiF6 Based on First-Principles Configuration-Interaction Calculations

NASA Astrophysics Data System (ADS)

Novita, Mega; Ogasawara, Kazuyoshi

2012-02-01

We performed first-principles configuration-interaction calculations of multiplet energies for Mn4+ in K2SiF6, K2GeF6, and K2TiF6 crystals. The results indicate that corrections based on a single-electron calculation are effective for the prediction of 4A2 → 4T2 and 4A2 → 4T1a transition energies, while such corrections are not necessary for the prediction of the 4A2 → 2E transition energy. The cluster size dependence of the multiplet energies is small. However, the 4A2 → 2E transition energy is slightly improved by using larger clusters including K ions. The theoretical multiplet energies are improved further by considering the lattice relaxation effect. As a result, the characteristic multiplet energy shifts depending on the host crystal are well reproduced without using any empirical parameters. Although K2GeF6 and K2TiF6 have lower symmetry than K2SiF6, the results indicate that the variation of the multiplet energy is mainly determined by the Mn-F bond length.

Structure and stability of small Li2 +(X2Σ+ g )-Xen (n = 1-6) clusters