Line profile analysis of ODS steels Fe20Cr5AlTiY milled powders at different Y2O3 concentrations

NASA Astrophysics Data System (ADS)

Afandi, A.; Nisa, R.; Thosin, K. A. Z.

2017-04-01

Mechanical properties of material are largely dictated by constituent microstructure parameters such as dislocation density, lattice microstrain, crystallite size and its distribution. To develop ultra-fine grain alloys such as Oxide Dispersion Strengthened (ODS) alloys, mechanical alloying is crucial step to introduce crystal defects, and refining the crystallite size. In this research the ODS sample powders were mechanically alloyed with different Y2O3 concentration respectively of 0.5, 1, 3, and 5 wt%. MA process was conducted with High Energy Milling (HEM) with the ball to powder ratio of 15:1. The vial and the ball were made of alumina, and the milling condition is set 200 r.p.m constant. The ODS powders were investigated by X-Ray Diffractions (XRD), Bragg-Brentano setup of SmartLab Rigaku with 40 KV, and 30 mA, step size using 0.02°, with scanning speed of 4°min-1. Line Profile Analysis (LPA) of classical Williamson-Hall was carried out, with the aim to investigate the different crystallite size, and microstrain due to the selection of the full wide at half maximum (FWHM) and integral breadth.

Built-In Potential in Fe 2 O 3 -Cr 2 O 3 Superlattices for Improved Photoexcited Carrier Separation

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

Kaspar, Tiffany C.; Schreiber, Daniel K.; Spurgeon, Steven R.

2015-12-17

We demonstrate that the different surface terminations exhibited by α-Fe2O3 (hematite) and α-Cr2O3 (eskolaite) in superlattices (SL) of these materials, synthesized with exquisite control by molecular beam epitaxy, determine the heterojunction interface structure and result in controllable, non-commutative band offset values. Precise atomic control of the interface structure allowed us to vary the valence band offset from 0.35 eV to 0.79 eV. This controllable band alignment can be harnessed to generate a built-in potential in Fe2O3-Cr2O3 SLs. For instance, in a 2.5-period SL, a built-in potential of 0.8 eV was realized as measured by x-ray photoelectron spectroscopy of Ti dopantsmore » as probe species. The high quality of the SL structure was confirmed by atom probe tomography and scanning transmission electron microscopy. Enhanced photocurrents were measured for a thick Fe2O3 epitaxial film capped with an (Fe2O3)3-(Cr2O3)3 SL; this enhancement was attributed to efficient electron-hole separation in the SL as a result of the band alignment. The Fe-O-Cr bonds at the SL interfaces also red-shifted the onset of photoconductivity to ~1.6 eV. Exploiting the band alignment and photoabsorption properties of Fe2O3-Cr2O3 SLs has the potential to increase the efficiency of hematite-based photoelectrochemical water splitting.« less

Status of FeCrAl ODS Irradiations in the High Flux Isotope Reactor

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

Field, Kevin G.; Howard, Richard H.

2016-08-19

FeCrAl oxide-dispersion strengthened (ODS) alloys are an attractive sub-set alloy class of the more global FeCrAl material class for nuclear applications due to their high-temperature steam oxidation resistance and hypothesized enhanced radiation tolerance. A need currently exists to determine the radiation tolerance of these newly developed alloys. To address this need, a preliminary study was conducted using the High Flux Isotope Reactor (HFIR) to irradiate an early generation FeCrAl ODS alloy, 125YF. Preliminary post-irradiation examination (PIE) on these irradiated specimens have shown good radiation tolerance at elevated temperatures (≥330°C) but possible radiation-induced hardening and embrittlement at irradiations of 200°C tomore » a damage level of 1.9 displacement per atom (dpa). Building on this experience, a new series of irradiations are currently being conceptualized. This irradiation series called the FCAD irradiation program will irradiate the latest generation FeCrAl ODS and FeCr ODS alloys to significantly higher doses. These experiments will provide the necessary information to determine the mechanical performance of irradiated FeCrAl ODS alloys at light water reactor and fast reactor conditions.« less

Epitaxial Fe/Y2O3 interfaces as a model system for oxide-dispersion-strengthened ferritic alloys

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

Kaspar, Tiffany C.; Bowden, Mark E.; Wang, Chong M.

2015-02-01

The fundamental mechanisms underlying the superior radiation tolerance properties of oxide-dispersion-strengthened ferritic steels and nanostructured ferritic alloys are poorly understood. Thin film heterostructures of Fe/Y2O3 can serve as a model system for fundamental studies of radiation damage. Epitaxial thin films of Y2O3 were deposited by pulsed laser deposition on 8% Y:ZrO2 (YSZ) substrates with (100), (110), and (111) orientation. Metallic Fe was subsequently deposited by molecular beam epitaxy. Characterization by x-ray diffraction and Rutherford backscattering spectrometry in the channeling geometry revealed a degree of epitaxial or axiotaxial ntation for Fe(211) deposited on Y2O3(110)/YSZ(110). In contrast, Fe on Y2O3(111)/YSZ(111) was fullymore » polycrystalline, and Fe on Y2O3(100)/YSZ(100) exhibited out-of-plane texture in the [110] direction with little or no preferential in-plane orientation. Scanning transmission electron microscopy imaging of Fe(211)/Y2O3(110)/YSZ(110) revealed a strongly islanded morphology for the Fe film, with no epitaxial grains visible in the cross-sectional sample. Well-ordered Fe grains with no orientation to the underlying Y2O3 were observed. Well-ordered crystallites of Fe with both epitaxial and non-epitaxial orientations on Y2O3 are a promising model system for fundamental studies of radiation damage phenomena. This is illustrated with preliminary results of He bubble formation following implantation with a helium ion microscope. He bubble formation is shown to preferentially occur at the Fe/Y2O3 interface.« less

AsMo7O27-bridged dinuclear sandwich-type heteropolymolybdates of Cr(III) and Fe(III): magnetism of [MM'(AsMo7O27)2]12- with MM' = FeFe, CrFe, and CrCr.

PubMed

Xu, Haisheng; Li, Lili; Liu, Bin; Xue, Ganglin; Hu, Huaiming; Fu, Feng; Wang, Jiwu

2009-11-02

Two new dinuclear sandwich-type heteropolymolybdates based on the mulitidendate inorganic fragment [AsMo(7)O(27)] and Cr(III) and Fe(III) ions, namely, the homometallic sandwich polyoxometalate (POM) (NH(4))(12)[Fe(2)(AsMo(7)O(27))(2)] x 12 H(2)O (1) and the first example of the "symmetrical" heterometallic Cr(III)-Fe(III) sandwich POM, (NH(4))(12)[FeCr(AsMo(7)O(27))(2)] x 13 H(2)O (2), were simultaneously synthesized in high yield. Their magnetic properties are thoroughly investigated together with the homometallic sandwich POM (NH(4))(12)[Cr(2)(AsMo(7)O(27))(2)] x 11 H(2)O (3). The chi(M)T values for compounds 1-3 at 300 K correspond well to the calculated spin-only values for Fe(III) (S = 5/2) and Cr(III) (S = 3/2) with g(Fe) = g(Cr) = 2. Upon cooling, the chi(M)T values decline monotonously and reach 0.14, 1.00, and 0.11 cm(3) K mol(-1) at 2.0 K for 1, 2, and 3, respectively, indicating a significant antiferromagnetic exchange between the magnetic centers with J = -2.09, -4.09, and -6.26 cm(-1), respectively, for 1, 2, and 3. The magnetic results clearly establish that compound 2 is formed by bimetallic Cr(III)-Fe(III) units and not by a mixture of the two antiferromagnetically coupled homometallic species. Their thermal properties are also characterized.

Pair distribution function (PDF) analysis of mesoporous α-Fe2O3 and Cr2O3.

PubMed

Hill, Adrian H; Allieta, Mattia

2013-06-14

We have measured atomic pair distribution functions of novel mesoporous metal oxides, α-Fe2O3 and Cr2O3. These have an ordered pore mosaic as well as crystalline structure within the pore walls, making them an interesting class of materials to characterise. Comparison of "bulk" and mesoporous data sets has allowed an estimate of long range structural coherence to be derived; ≈125 Å and ≈290 Å for α-Fe2O3 and Cr2O3 respectively. Further "box-car" analysis has shown that above ≈40 Å both mesoporous samples deviate greatly from their bulk counterparts. This is attributed to the pores of the mesoporous structure creating voids in the pair-correlations, disrupting long range order.

Effect of Nano-Y2O3 on Microstructure and Crack Formation in Laser Direct-Deposited In Situ Particle-Reinforced Fe-Based Coatings

NASA Astrophysics Data System (ADS)

Yin, Guili; Chen, Suiyuan; Liu, Yuanyuan; Liang, Jing; Liu, Changsheng; Kuang, Zheng

2018-03-01

In situ hard-particle-reinforced Fe-based composite coatings were prepared on Q235 steel substrates by direct laser deposition using Fe-based alloy powders containing 2 wt.% B, 3 wt.% Si and 1-3 wt.% nano-Y2O3. The microstructures, phase compositions, hardnesses and wear resistances of the deposited coatings with different nano-Y2O3 contents were studied using metallographic microscopy, scanning electron microscopy, x-ray diffraction, transmission electron microscopy, microhardness tests and pin-on-disk abrasion tests (MMW-1A), respectively. The results showed that the appropriate addition of Y2O3 played a role in grain refinement and in decreasing the number of brittle phases and impurity elements in the grain boundaries. Consequently, the number of cracks in the laser-deposited coating also decreased. The Fe-based composite coatings were mainly composed of α-Fe, γ-Fe and in situ-produced reinforced particle phases, such as Cr23C6, Cr7C3, (Cr, Fe)7C3, Fe2B, and CrFeB. When the content of nano-Y2O3 was 2 wt.%, a Fe-based composite coating with a thickness of 4 mm that was free of cracks was obtained, and its surface hardness reached 650HV. Moreover, the wear resistance of the coating with 2 wt.% nano-Y2O3 was the best among the samples studied. The presence of nano-Y2O3 increased the solubility of Cr and Si in the solid solution, which eliminated the residual austenite region, and as a result, the phase transformation from γ-Fe to α-Fe was restrained and the transformation stress was also limited, thereby decreasing the probability of cracks in the coatings.

Effects of Zr Addition on Strengthening Mechanisms of Al-Alloyed High-Cr ODS Steels.

PubMed

Ren, Jian; Yu, Liming; Liu, Yongchang; Liu, Chenxi; Li, Huijun; Wu, Jiefeng

2018-01-12

Oxide dispersion strengthened (ODS) steels with different contents of zirconium (denoted as 16Cr ODS, 16Cr-0.3Zr ODS and 16Cr-0.6Zr ODS) were fabricated to investigate the effects of Zr on strengthening mechanism of Al-alloyed 16Cr ODS steel. Electron backscatter diffraction (EBSD) results show that the mean grain size of ODS steels could be decreased by Zr addition. Transmission electron microscope (TEM) results indicate that Zr addition could increase the number density but decrease the mean diameter and inter-particle spacing of oxide particles. Furthermore, it is also found that in addition to Y-Al-O nanoparticles, Y-Zr-O oxides with finer size were observed in 16Cr-0.3Zr ODS and 16Cr-0.6Zr ODS steels. These changes in microstructure significantly increase the yield strength (YS) and ultimate tensile strength (UTS) of ODS steels through mechanisms of grain boundary strengthening and dispersion strengthening.

Effects of Zr Addition on Strengthening Mechanisms of Al-Alloyed High-Cr ODS Steels

PubMed Central

Ren, Jian; Yu, Liming; Liu, Yongchang; Liu, Chenxi; Li, Huijun; Wu, Jiefeng

2018-01-01

Oxide dispersion strengthened (ODS) steels with different contents of zirconium (denoted as 16Cr ODS, 16Cr-0.3Zr ODS and 16Cr-0.6Zr ODS) were fabricated to investigate the effects of Zr on strengthening mechanism of Al-alloyed 16Cr ODS steel. Electron backscatter diffraction (EBSD) results show that the mean grain size of ODS steels could be decreased by Zr addition. Transmission electron microscope (TEM) results indicate that Zr addition could increase the number density but decrease the mean diameter and inter-particle spacing of oxide particles. Furthermore, it is also found that in addition to Y-Al-O nanoparticles, Y-Zr-O oxides with finer size were observed in 16Cr-0.3Zr ODS and 16Cr-0.6Zr ODS steels. These changes in microstructure significantly increase the yield strength (YS) and ultimate tensile strength (UTS) of ODS steels through mechanisms of grain boundary strengthening and dispersion strengthening. PMID:29329260

Microstructure characterization and strengthening mechanisms of oxide dispersion strengthened (ODS) Fe-9%Cr and Fe-14%Cr extruded bars

NASA Astrophysics Data System (ADS)

Chauhan, A.; Bergner, F.; Etienne, A.; Aktaa, J.; de Carlan, Y.; Heintze, C.; Litvinov, D.; Hernandez-Mayoral, M.; Oñorbe, E.; Radiguet, B.; Ulbricht, A.

2017-11-01

The collaborative study is focused on the relationship between microstructure and yield stress for an ODS Fe-9%Cr-based transformable alloy and an ODS Fe-14%Cr-based ferritic alloy. The contributions to the total room temperature yield stress arising from various strengthening mechanisms are addressed on the basis of a comprehensive description of the microstructures uncovered by means of transmission electron microscopy (TEM), electron backscatter diffraction (EBSD), small-angle neutron scattering (SANS) and atom probe tomography (APT). While these methods provide a high degree of complementarity, a reasonable agreement was found in cases of overlap of information. The derived set of microstructure parameters along with reported strengthening equations was used to calculate the room temperature yield stress. The estimates were critically compared with the measured yield stress for an extended set of alloys including data reported for Fe-Cr model alloys and steels thus covering one order of magnitude or more in grain size, dislocation density, particle density and yield stress. The comparison shows that particle strengthening, dislocation forest strengthening, and Hall-Petch strengthening are the major contributions and that a mixed superposition rule reproduces the measured yield stress within experimental scatter for the whole extended set of alloys. The wide variation of microstructures additionally underpins the conclusions and goes beyond previous work, in which one or few ODS steels and narrow microstructure variations were typically covered.

The comparison of microstructures and mechanical properties between 14Cr-Al and 14Cr-Ti ferritic ODS alloys

DOE PAGES

Zhang, Guangming; Zhou, Zhangjian; Mo, Kun; ...

2016-03-03

In this study, two kinds of 14Cr ODS alloys (14Cr-Al and 14Cr-Ti) were investigated to reveal the different effects between Al and Ti on the microstructures and mechanical properties of 14Cr ferritic ODS alloys. The microstructure information such as grains, minor phases of these two alloys has been investigated by high-energy X-ray diffraction and transmission electron microscopy (TEM). The in situ synchrotron X-ray diffraction tensile test was applied to investigate the mechanical properties of these two alloys. The lattice strains of different phases through the entire tensile deformation process in these two alloys were analyzed to calculate their elastic stresses.more » From the comparison of elastic stress, the strengthening capability of Y 2Ti 2O 7 is better than TiN in 14Cr-Ti, and the strengthening capability of YAH is much better than YAM and AlN in 14Cr-Al ODS. The dislocation densities of 14Cr-Ti and 14Cr-Al ODS alloys during tensile deformation were also examined by modified Williamson-Hall analyses of peak broadening, respectively. In conclusion, the different increasing speed of dislocation density with plastic deformation reveals the better strengthening effect of Y-Ti-O particles in 14Cr-Ti ODS than that of Y-Al-O particles in 14Cr-Al ODS alloy.« less

Helium behavior in oxide dispersion strengthened (ODS) steel: Insights from ab initio modeling

NASA Astrophysics Data System (ADS)

Sun, Dan; Li, Ruihuan; Ding, Jianhua; Huang, Shaosong; Zhang, Pengbo; Lu, Zheng; Zhao, Jijun

2018-02-01

Using first-principles calculations, we systemically investigate the energetics and stability behavior of helium (He) atoms and small Hen (n = 2-4) clusters inside oxide dispersion strengthened (ODS) steel, as well as the incorporation of large amount of He atoms inside Y2O3 crystal. From the energetic point of view, He atom inside Y2O3 cluster is most stable, followed by the interstitial sites at the α-Fe/Y2O3 interface, and the tetrahedral interstitial sites inside α-Fe region. We further consider Hen (n = 2-4) clusters at the tetrahedral interstitial site surrounded by four Y atoms, which is the most stable site in the ODS steel model. The incorporation energies of all these Hen clusters are lower than that of single He atom in α-Fe, while the binding energy between two He atoms is relatively small. With insertion of 15 He atoms into 80-atom unit cell of Y2O3 crystal, the incorporation energy of He atoms is still lower than that of He4 cluster in α-Fe crystal. These theoretical results suggest that He atoms tend to aggregate inside Y2O3 clusters or at the α-Fe/Y2O3 interface, which is beneficial to prevent the He embrittlement in ODS steels.

Synthesis and characterization of Cr doped CoFe2O4

NASA Astrophysics Data System (ADS)

Verma, Kavita; Patel, K. R.; Ram, Sahi; Barbar, S. K.

2016-05-01

Polycrystalline samples of pure and Cr-doped cobalt ferrite (CoFe2O4 and CoCrFeO4) were prepared by solid state reaction route method. X-ray diffraction pattern infers that both the samples are in single phase with Fd3m space group. Slight reduction in the lattice parameter of CoCrFeO4 has been observed as compared to CoFe2O4. The dielectric dispersion has been explained on the basis of Fe2+ ↔ Fe3+ hopping mechanism. The polarizations at lower frequencies are mainly attributed to electronic exchange between Fe2+ ↔ Fe3+ ions on the octahedral site in the ferrite lattice. In the present system a part from n-type charge carrier (Fe3+/Fe2+), the presence of (Co3+/Co2+) ions give rise to p-type charge carrier. Therefore in addition to n-type charge carrier, the local displacement of p-type charge carrier in direction of external electric field also contributes to net polarization. However, the dielectric constant and loss tangent of CoCrFeO4 are found to be lower than CoFe2O4 and is attributed to the availability of ferrous ion. CoCrFeO4 have less amount of ferrous ion available for polarization as compared to that of CoFe2O4. The impedance spectra reveal a grain interior contribution to the conduction process.

Experimental evidence for the magnetic moment directions of Cr2+ and Cr3+ cations in the spinel ferrites Cux1Crx2Fe3-x1-x2O4

NASA Astrophysics Data System (ADS)

Zhang, X. Y.; Xu, J.; Li, Z. Z.; Qi, W. H.; Tang, G. D.; Shang, Z. F.; Ji, D. H.; Lang, L. L.

2014-08-01

(A)[B]2O4 spinel ferrite samples with the composition Cux1Crx2Fe3-x1-x2O4 (0.0≤x1≤0.284 and 1.04≥x2≥0.656) were prepared by a chemical co-precipitation method. X-ray diffraction patterns indicated that the samples had a single-phase cubic spinel structure. It is interesting that the saturation magnetization of the samples increased when Cu2+ or Cu3+ (with 1 or 2μB of magnetic moment) substituted for Cr2+ or Cr3+ (with 4 or 3μB), which cannot be obviously explained if the magnetic moments of Cr2+ and Cr3+ cations are assumed to be parallel to those of the Fe and Cu cations. However, with the assumption that the magnetic moments of Cr2+ and Cr3+ cations are antiparallel to the Fe and Cu cation moments in spinel ferrites, the dependence on the Cu doping level of the sample magnetic moments at 10 K was fitted successfully, using the quantum-mechanical potential barrier model earlier proposed by our group. Using the cation distributions obtained in the fitting process, the experimental observation that the magnetic moment of the samples increased with increasing Cu doping level was explained. This work therefore provides experimental evidence that the magnetic moments of the Cr2+ and Cr3+ cations are antiparallel to those of the Fe and Cu cations in spinel ferrites.

Characterization of a heterobimetallic nonheme Fe(III)-O-Cr(III) species formed by O2 activation.

PubMed

Zhou, Ang; Kleespies, Scott T; Van Heuvelen, Katherine M; Que, Lawrence

2015-10-01

We report the generation and spectroscopic characterization of a heterobimetallic [(TMC)Fe(III)-O-Cr(III)(OTf)4] species (1) by bubbling O2 into a mixture of Fe(TMC)(OTf)2 and Cr(OTf)2 in NCCH3. Complex 1 also formed quantitatively by adding Cr(OTf)2 to [Fe(IV)(O)(TMC)(NCCH3)](2+). The proposed O2 activation mechanism involves the trapping of a Cr-O2 adduct by Fe(TMC)(OTf)2.

Characterization of a Heterobimetallic Nonheme Fe(III)-O-Cr(III) Species Formed by O2 Activation

PubMed Central

Zhou, Ang; Kleespies, Scott T.; Van Heuvelen, Katherine M.; Que, Lawrence

2015-01-01

We report the generation and spectroscopic characterization of a heterobimetallic [(TMC)FeIII-O-CrIII(OTf)4] species (1) by O2 bubbling into a mixture of Fe(TMC)(OTf)2 and Cr(OTf)2 in NCCH3. Complex 1 also formed quantitatively by adding Cr(OTf)2 to [FeIV(O)(TMC)(NCCH3)]2+. The proposed O2 activation mechanism involves the trapping by a Cr-O2 adduct by Fe(TMC)(OTf)2. PMID:26265081

Perovskites Bi0.8La0.2FeO3 and Bi0.8La0.2Fe0.95Cr0.05O3: Crystal structure and magnetic and charge states of iron ions

NASA Astrophysics Data System (ADS)

Sigov, A. S.; Pokatilov, V. S.; Makarova, A. O.; Pokatilov, V. V.

2014-06-01

Perovskites of the Bi0.8La0.2Fe1 - x Cr x O3 system ( x = 0, 0.05) were investigated by Mössbauer spectroscopy in the temperature range of 298-800 K. The samples were fabricated by solid-state synthesis and had a rhombic structure. Iron ions in Bi0.8La0.2FeO3 and Bi0.8La0.2Fe0.95Cr0.05O3 are situated in trivalent states. The magnetic transition temperatures (the Néel temperatures T N ) T N = 677.5 ± 2.5 K for Bi0.8La0.2FeO3 and T N = 647.6 ± 2.5 K for Bi0.8La0.2Fe0.95Cr0.05O3 are measured. The substitution of trivalent iron ions from trivalent chromium ions in the amount x = 0.05 in Bi0.8La0.2Fe0.95Cr0.05O3 perovskite decreases the hyperfine magnetic field at nuclei 57Fe in Fe+3-O-Cr+3 chains by 30 kOe.

Studies on redox H 2-CO 2 cycle on CoCr xFe 2- xO 4

NASA Astrophysics Data System (ADS)

Ma, Ling Juan; Chen, Lin Shen; Chen, Song Ying

2009-01-01

Completely reduced CoCr xFe 2-xO 4 can be used to decompose CO 2. It was found that for pure CoFe 2O 4 there is no FeO formation in the first step while there is formation in the second step. For CoCr 0.08Fe 2-0.08O 4, there is no FeO formed in all the oxidation process, because of effect of Cr 3+. Pure CoFe 2O 4 was destroyed at the first reaction cycle of H 2 reduction and CO 2 oxidation, while doped Cr 3+ spinel CoCr 0.08Fe 1.92O 4 showed good stability. The results from H 2-TG, CO 2-TG and XRD show that the addition of Cr 3+ to CoFe 2O 4 can inhibit the increasing of crystallite size and the sintering of alloy. Most importantly, the CoCr 0.08Fe 1.92O 4 can be used to decompose CO 2 repeatedly, implying that it is a potential catalyst for dealing with the CO 2 as a 'green house effect' gas.

Preparation and electrical properties of Cr 2O 3 gate insulator embedded with Fe dot

NASA Astrophysics Data System (ADS)

Yokota, Takeshi; Kuribayashi, Takaaki; Murata, Shotaro; Gomi, Manabu

2008-09-01

We investigated the electrical properties of a metal (Au)/insulator (magneto-electric materials: Cr 2O 3)/magnetic materials (Fe)/tunnel layer (Cr 2O 3)/semiconductor (Si) capacitor. This capacitor shows the typical capacitance-voltage ( C- V) properties of an Si-MIS capacitor with hysteresis depending on the Fe dispersibility which is determined by the deposition condition. The C- V curve of the only sample having a 0.5 nm Fe layer was seen to have a hysteresis window with a clockwise trace, indicating that electrons have been injected into the ultra-thin Fe layer. The samples having Fe layers of other thicknesses show a counterclockwise trace, which indicates that the film has mobile ionic charges due to the dispersed Fe. These results indicated that the charge-injection site, which works as a memory, in the Cr 2O 3 can be prepared by Fe insertion, which is deposited using well-controlled conditions. The results also revealed the possibility of an MIS capacitor containing both ferromagnetic materials and an ME insulating layer in a single system.

Nano-sized Fe2O3/Fe3O4 facilitate anaerobic transformation of hexavalent chromium in soil-water systems.

PubMed

Zhang, Yaxian; Li, Hua; Gong, Libo; Dong, Guowen; Shen, Liang; Wang, Yuanpeng; Li, Qingbiao

2017-07-01

The purpose of this study is to investigate the effects of nano-sized or submicro Fe 2 O 3 /Fe 3 O 4 on the bioreduction of hexavalent chromium (Cr(VI)) and to evaluate the effects of nano-sized Fe 2 O 3 /Fe 3 O 4 on the microbial communities from the anaerobic flooding soil. The results indicated that the net decreases upon Cr(VI) concentration from biotic soil samples amended with nano-sized Fe 2 O 3 (317.1±2.1mg/L) and Fe 3 O 4 (324.0±22.2mg/L) within 21days, which were approximately 2-fold of Cr(VI) concentration released from blank control assays (117.1±5.6mg/L). Furthermore, the results of denaturing gradient gel electrophoresis (DGGE) and high-throughput sequencing indicated a greater variety of microbes within the microbial community in amendments with nano-sized Fe 2 O 3 /Fe 3 O 4 than the control assays. Especially, Proteobacteria occupied a predominant status on the phylum level within the indigenous microbial communities from chromium-contaminated soils. Besides, some partial decrease of soluble Cr(VI) in abiotic nano-sized Fe 2 O 3 /Fe 3 O 4 amendments was responsible for the adsorption of nano-sized Fe 2 O 3 /Fe 3 O 4 to soluble Cr(VI). Hence, the presence of nano-sized Fe 2 O 3 /Fe 3 O 4 could largely facilitate the mobilization and biotransformation of Cr(VI) from flooding soils by adsorption and bio-mediated processes. Copyright © 2017. Published by Elsevier B.V.

Electronic and Optical Properties of a Semiconducting Spinel (Fe 2 CrO 4 )

DOE PAGES

Chambers, Scott A.; Droubay, Timothy C.; Kaspar, Tiffany C.; ...

2017-01-13

Epitaxial chromium ferrite (Fe 2CrO 4), prepared by state-of-the-art oxygen plasma assisted molecular beam epitaxy, is shown to exhibit unusual electronic transport properties driven by the crystallographic structure and composition of the material. By replacing 1/3 of the Fe cations with Cr converts the host ferrimagnet from a metal into a semiconductor by virtue of its fixed valence (3+); Cr substitutes for Fe at B sites in the spinel lattice. Conversely, replacing 2/3 of the Fe cations with Cr results in an insulator. Three candidate conductive paths, all involving electron hopping between Fe 2+ and Fe 3+, are identified inmore » Fe 2CrO 4. Moreover, Fe 2CrO 4 is shown to be photoconductive across the visible portion of the electromagnetic spectrum. As a result, this material is of potential interest for important photo-electrochemical processes such as water splitting.« less

Novel ZrO2 based ceramics stabilized by Fe2O3, SiO2 and Y2O3

NASA Astrophysics Data System (ADS)

Rada, S.; Culea, E.; Rada, M.

2018-03-01

Samples in the 5Fe2O3·10SiO2·xY2O3·(85-x)ZrO2 composition where x = 5, 10 and 15 mol% Y2O3 were synthesized and investigated by XRD, SEM, density measurements, FTIR, UV-Vis, EPR and PL spectroscopies. X-ray diffraction patterns confirm the presence of the tetragonal and cubic ZrO2 crystalline phases in all samples. The IR data show the overlaps of absorption bands assigned to Zrsbnd Osbnd Zr and Sisbnd Osbnd linkages in samples. UV-Vis and PL data indicate higher concentrations of intrinsic defects by doping with Y2O3 concentrations. The EPR spectra are characterized by two resonance lines situated at about g ∼ 4.3 and g ∼ 2 for lower Y2O3 contents.

Dynamics of CrO 3 –Fe 2 O 3 Catalysts during the High-Temperature Water-Gas Shift Reaction: Molecular Structures and Reactivity

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

Keturakis, Christopher J.; Zhu, Minghui; Gibson, Emma K.

2016-06-13

A series of supported CrO 3/Fe 2O 3 catalysts were investigated for the high-temperature water-gas shift (WGS) and reverse-WGS reactions and extensively characterized using in situ and operando IR, Raman, and XAS spectroscopy during the high-temperature WGS/RWGS reactions. The in situ spectroscopy examinations reveal that the initial oxidized catalysts contain surface dioxo (O=) 2Cr 6+O 2 species and a bulk Fe 2O 3 phase containing some Cr 3+ substituted into the iron oxide bulk lattice. Operando spectroscopy studies during the high-temperature WGS/RWGS reactions show that the catalyst transforms during the reaction. The crystalline Fe 2O 3 bulk phase becomes Femore » 3O 4 ,and surface dioxo (O=) 2Cr 6+O 2 species are reduced and mostly dissolve into the iron oxide bulk lattice. Consequently, the chromium–iron oxide catalyst surface is dominated by FeO x sites, but some minor reduced surface chromia sites are also retained. The Fe 3–-xCr xO 4 solid solution stabilizes the iron oxide phase from reducing to metallic Fe0 and imparts an enhanced surface area to the catalyst. Isotopic exchange studies with C 16O 2/H 2 → C 18O 2/H 2 isotopic switch directly show that the RWGS reaction proceeds via the redox mechanism and only O* sites from the surface region of the chromium–iron oxide catalysts are involved in the RWGS reaction. The number of redox O* sites was quantitatively determined with the isotope exchange measurements under appropriate WGS conditions and demonstrated that previous methods have undercounted the number of sites by nearly 1 order of magnitude. The TOF values suggest that only the redox O* sites affiliated with iron oxide are catalytic active sites for WGS/RWGS, though a carbonate oxygen exchange mechanism was demonstrated to exist, and that chromia is only a textural promoter that increases the number of catalytic active sites without any chemical promotion effect.« less

Electrochemical sensing of modified ABO3 perovskite: LaFe0.8 R0.2O3(R= Cr, Co, Al)

NASA Astrophysics Data System (ADS)

Vidya Rajan, N.; Alexander, L. K.

2017-06-01

Perovskite LaFeO3 with orthorhombic structure has been synthesized by citric acid mediated solution method. The effectiveness of ionic radii and Oxidation state of the doping material on ionic conductivity of the host matrix was evaluated by B-site (Fe) doping on LaFeO3 with Cr, Co and Al, resulting LaFe0.8 R0.2O3 (R = Cr, Co, Al). XRD with Rietveld refinement and Raman spectroscopic analysis demonstrate successful synthesis. The effect of the 20% B site doping on electrochemical activity is reported. The doped materials exhibit a decrease in sensing activity towards the non enzymatic detection of H2O2.

Facile preparation of magnetic mesoporous MnFe2O4@SiO2-CTAB composites for Cr(VI) adsorption and reduction.

PubMed

Li, Na; Fu, Fenglian; Lu, Jianwei; Ding, Zecong; Tang, Bing; Pang, Jiabin

2017-01-01

Chromium-contaminated water is regarded as one of the biggest threats to human health. In this study, a novel magnetic mesoporous MnFe 2 O 4 @SiO 2 -CTAB composite was prepared by a facile one-step modification method and applied to remove Cr(VI). X-ray diffraction, scanning electron microscopy, transmission electron microscopy, specific surface area, and vibrating sample magnetometer were used to characterize MnFe 2 O 4 @SiO 2 -CTAB composites. The morphology analysis showed that the composites displayed a core-shell structure. The outer shell was mesoporous silica with CTAB and the core was MnFe 2 O 4 nanoparticles, which ensured the easy separation by an external magnetic field. The performance of MnFe 2 O 4 @SiO 2 -CTAB composites in Cr(VI) removal was far better than that of bare MnFe 2 O 4 nanoparticles. There were two reasons for the effective removal of Cr(VI) by MnFe 2 O 4 @SiO 2 -CTAB composites: (1) mesoporous silica shell with abundant CTA + significantly enhanced the Cr(VI) adsorption capacity of the composites; (2) a portion of Cr(VI) was reduced to less toxic Cr(III) by MnFe 2 O 4 , followed by Cr(III) immobilized on MnFe 2 O 4 @SiO 2 -CTAB composites, which had been demonstrated by X-ray photoelectron spectroscopy results. The adsorption of Cr(VI) onto MnFe 2 O 4 @SiO 2 -CTAB followed the Freundlich isotherm model and pseudo-second-order model. Tests on the regeneration and reuse of the composites were performed. The removal efficiency of Cr(VI) still retained 92.4% in the sixth cycle. MnFe 2 O 4 @SiO 2 -CTAB composites exhibited a great potential for the removal of Cr(VI) from water. Copyright © 2016 Elsevier Ltd. All rights reserved.

A water stable europium coordination polymer as fluorescent sensor for detecting Fe3+, CrO42-, and Cr2O72- ions

NASA Astrophysics Data System (ADS)

Chen, Chen; Zhang, Xiaolei; Gao, Peng; Hu, Ming

2018-02-01

A europium coordination polymer constructed by the 4‧-(4-carboxyphenyl)- 2,2‧:6‧,2″-terpyridine ligand (HL), namely, [EuL(CH3COO)Cl]n (1), has been prepared by the solvothermal method. Compound 1 was structurally characterized by the elemental analysis, FT-IR, powder X-ray diffractions (PXRD), thermogravimetric (TG) analysis, and single-crystal X-ray diffraction. Complex 1 displays a novel linear chain structure, which further extends to the 3D supramolecular structure via π···π and hydrogen bonds interactions. The luminescent properties of 1 were investigated in detail, which exhibit the fluorescent sensing for detecting Fe3+, CrO42-, and Cr2O72- ions in aqueous solution, respectively. In addition, 1 shows high sensitive and selective sensing for CrO42- and Cr2O72- anions with the great quenching efficiency. Furthermore, the luminescent sensing mechanisms of differentiating analytes are explored in detail. It is worth noting that there exists the weak interaction between Fe3+ ions and carboxylate oxygen atoms of CH3COO- groups through XPS characterization, resulting in the high quenching effect of 1.

Synthesis and spectral characterizations of trivalent ions (Cr3+, Fe3+) doped CdO nanopowders

NASA Astrophysics Data System (ADS)

Aswani, T.; Babu, B.; Pushpa Manjari, V.; Joyce Stella, R.; Thirumala Rao, G.; Rama Krishna, Ch.; Ravikumar, R. V. S. S. N.

2014-03-01

Trivalent transition metal ions (Cr3+, Fe3+) doped CdO nanopowders via sonication in the presence of Sodium lauryl sulfate as stabilizing agent were synthesized and characterized. Powder XRD studies indicate that the obtained CdO has a cubic phase and concluded that the trivalent ions doping induced the lattice constants to change some extent. Optical absorption spectra exhibited the characteristic bands of Cr3+ and Fe3+ ions in octahedral site symmetry. Crystal field (Dq) and inter-electronic repulsion (B and C) parameters are evaluated for Cr3+ doped CdO nanopowders as Dq = 1540, B = 619 and C = 3327 cm-1 and for Fe3+ doped CdO nanopowders Dq = 920, B = 690, C = 2750 cm-1. EPR spectra of the Cr3+ and Fe3+ doped CdO nanopowders exhibited resonances at g = 1.973 and g = 2 respectively which indicate distorted octahedral site for both ions with the host. Photoluminescence spectra shows the emission bands in violet and bluish green regions for Cr3+ doped CdO, ultraviolet and blue emissions for Fe3+ doped CdO nanopowders. The CIE chromaticity coordinates were also evaluated from the emission spectrum. FT-IR spectra indicate the presence of various functional groups of host lattice.

Effects of spin entropy and lattice strain from mixed-trivalent Fe3+/Cr3+ on the electronic, thermoelectric and optical properties of delafossite CuFe1-x Cr x O2 (x  =  0.25, 0.5, 0.75)

NASA Astrophysics Data System (ADS)

Ruttanapun, Chesta; Maensiri, Santi

2015-12-01

Mixed-trivalent Fe3+/Cr3+ content CuFe1-x Cr x O2 (x  =  0.25, 0.5, and 0.75) compounds were synthesized to investigate the effects of spin entropy, and lattice strain on their electronic, thermoelectric and optical properties. The XPS results showed the existence of mixed Cu1+/Cu2+, Fe3+/Fe4+ and Cr2+/Cr3+ ion states in the structures. The mixed Fe3+/Cr3+ions caused a strong correlation to occur between the spin and the orbitals of the carriers in the octahedral layer of the sample, affecting the carrier degeneracy Seebeck coefficient behaviour, and the Cu2+ and Fe4+ ions caused an effect of enhancing the electric conductivity. These effects meant that CuFe0.75Cr0.25O2 had the highest electrical conductivity, an enhanced Seebeck coefficient compared to that of CuFeO2-based compounds, and the highest thermopower value. The lowest thermal conductivity was that of CuFe0.5Cr0.5O2, which was a result of the mismatched atomic radii of the mixed trivalent Fe3+(0.645 Å)/Cr3+(0.615 Å), which caused the lattice strain to occur in the structure and thus affected the point defect scattering of the phonon thermal conductivity. The lowest total thermal conductivity was that of CuFe0.5Cr0.5O2, because it had the maximum lattice strain. Overall, the effect of the mixed trivalent elements caused CuFe0.75Cr0.25O2 to have the highest value of the dimensionless figure of merit ZT, with a value that was four times that of CuFeO2-based compounds and six times that of CuCrO2-based compounds. With regard to optical properties, the lattice strain causes the indirect optical gap to increase with increasing x content, but has no effect on the direct optical gap. These results verified that the mixed-trivalent Fe3+/Cr3+ content of CuFe1-x Cr x O2 (x  =  0.25, 0.5, and 0.75) affected the electronic, thermoelectric and optical properties of the structure by causing spin entropy and lattice strain to occur.

Menzerite-(Y) a New Species {(Y REE)(Ca Fe2plus)2}[(Mg Fe2plus)(Fe3plus Al)](Si3)O12 from a Felsic Granulite Parry Sound Ontario and a New Garnet End-member (Y2Ca)Mg2(SiO4)3

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

E Grew; J Marsh; M Yates

2011-12-31

Menzerite-(Y), a new mineral species, forms reddish brown cores, n = 1.844 (20), up to 70 {micro}m across, rimmed successively by euhedral almandine containing up to 2.7 wt% Y{sub 2}O{sub 3} and by K-feldspar in a felsic granulite on Bonnet Island in the interior Parry Sound domain, Grenville Orogenic Province, Canada. It is named after Georg Menzer (1897-1989), the German crystallographer who solved the crystal structure of garnet. Single-crystal X-ray-diffraction results yielded space group Ia3d, a = 11.9947(6) {angstrom}. An electron-microprobe analysis of the grain richest in Y (16.93 wt% Y{sub 2}O{sub 3}) gave the following formula, normalized to eightmore » cations and 12 oxygen atoms: {l_brace}Y{sub 0.83}Gd{sub 0.01}Dy{sub 0.05}Ho{sub 0.02}Er{sub 0.07}Tm{sub 0.01}Yb{sub 0.06}Lu{sub 0.02}Ca{sub 1.37}Fe{sub 0.49}{sup 2+}Mn{sub 0.07}{r_brace} [Mg{sub 0.55}Fe{sub 0.42}{sup 2+}Fe{sub 0.58}{sup 3+}Al{sub 0.35} V{sub 0.01}Sc{sub 0.01}Ti{sub 0.08}](Si{sub 2.82}Al{sub 0.18})O{sub 12}, or {l_brace}(Y,REE)(Ca,Fe{sup 2+}){sub 2}{r_brace}[(Mg,Fe{sup 2+})(Fe{sup 3+},Al)](Si{sub 3})O{sub 12}. Synchrotron micro-XANES data gave Fe{sup 3+}/{Sigma}Fe = 0.56(10) versus 0.39(2) calculated from stoichiometry. The scattering power refined at the octahedral Y site, 17.68 epfu, indicates that a relatively light element contributes to its occupancy. Magnesium, as determined by electron-microprobe analyses, would be a proper candidate. In addition, considering the complex occupancy of this site, the average Y-O bond length of 2.0244(16) {angstrom} is in accord with a partial occupancy by Mg. The dominance of divalent cations with Mg > Fe{sup 2+} and the absence of Si at the octahedral Y site (in square brackets) are the primary criteria for distinguishing menzerite-(Y) from other silicate garnet species; the menzerite-(Y) end-member is {l_brace}Y{sub 2}Ca{r_brace}[Mg{sub 2}](Si{sub 3})O{sub 12}. The contacts of menzerite-(Y) with almandine are generally sharp and, in places, cuspate

Phase relations in the pseudobinary systems RAO3-R2Ti2O7 (R: rare earth element and Y, A: Fe, Ga, Al, Cr and Mn) and syntheses of new compounds R(A1-xTix)O3+x/2 (2/3≤x≤3/4) at elevated temperatures in air

NASA Astrophysics Data System (ADS)

Brown, Francisco; Jacobo-Herrera, Ivan; Alvarez-Montaño, Victor; Kimizuka, Noboru; Kurashina, Keiji; Michiue, Yuichi; Matsuo, Yoji; Mori, Shigeo; Ikeda, Naoshi; Medrano, Felipe

2017-07-01

Phase relations in the pseudo-binary systems RFeO3-R2Ti2O7 (R: Lu, Ho and Dy), RGaO3-R2Ti2O7 (R: Lu and Er), LuAlO3-Lu2Ti2O7 and RAO3-R2Ti2O7 (R: Lu and Yb. A: Cr and Mn) at elevated temperatures in air were determined by means of a classic quenching method. There exist Lu(Fe1-xTix)O3+x/2, R(Ga1-xTix)O3+x/2 (R: Lu and Er) and Lu(Al1-xTix)O3+x/2 (2/3≤ x≤3/4) having the Yb(Fe1-xTix)O3+x/2-type of crystal structure (x=0.72, space group: R3m, a(Å)=17.9773 and c(Å)=16.978 as a hexagonal setting) in these pseudo binary systems. Eighteen compounds R(A1-xTix)O3+x/2 (R: Lu-Sm and Y, A: Fe, Ga and Al) were newly synthesized and their lattice constants as a hexagonal setting were measured by means of the X-ray powder diffraction method. The R occupies the octahedral site and both A and Ti does the trigonalbipyramidal one in these compounds. Relation between lattice constants for the rhombic R(A1-xTix)O3+x/2 and the monoclinic In(A1-xTix)O3+x/2 are as follows, ah≈5 x bm, ch≈3 x cm x sin β and am=31/2 x bm, where ah and ch are the lattice constants as a hexagonal setting for R(A1-xTix)O3+x/2 and am, bm, cm and β are those of the monoclinic In(A1-xTix)O3+x/2. Crystal structural relationships among α-InGaO3 (hexagonal, high pressure form, space group: P63/mmc), InGaO3 (rhombic, hypothetical), (RAO3)n(BO)m and RAO3(ZnO)m (R: Lu-Ho, Y and In, A: Fe, Ga, and Al, B: divalent cation element, m, n: natural number), the orthorhombic-and monoclinic In(A1-xTix)O3+x/2 (A: Fe, Ga, Al, Cr and Mn) and the hexagonal-and rhombic R(A1-xTix)O3+x/2 (R: Lu-Sm and Y, A: Fe, Ga and Al) are schematically presented. We concluded that the crystal structures of both the α-InGaO3 (high pressure form, hexagonal, space group: P63/mmc) and the hypothetical InGaO3 (rhombic) are the key structures for constructing the crystal structures of these compounds having the cations with CN=5.

Correlation of microstructure and low cycle fatigue properties for 13.5Cr1.1W0.3Ti ODS steel

NASA Astrophysics Data System (ADS)

He, P.; Klimenkov, M.; Möslang, A.; Lindau, R.; Seifert, H. J.

2014-12-01

Reduced activation oxide dispersion strengthened (ODS) steels are prospective structural materials for the blanket system and first wall components in Tokamak-type fusion reactors. Under the pulsed operation, these components will be predominantly subjected to cyclic thermal-mechanical loading which leads to inevitable fatigue damage. In this work, strain controlled isothermal fatigue tests were conducted for 13.5Cr1.1W0.3Ti ODS steel at 550 °C. The total strain range varied from 0.54% to 0.9%. After thermomechanical processing, 13.5CrWTi-ODS steel exhibits a remarkable lifetime extension with a factor of 10-20 for strain ranges Δε ⩽ 0.7%. 13.5Cr ODS steel shows no cyclic softening at all during the whole testing process irrespective of the strain range. TEM observations reveal ultrastable grain structure and constant dislocation densities around 1014 m-2, independent of the number of cycles or the applied strain amplitude. The presence of the stabilized ultrafine Y-Ti-O dispersoids enhances the microstructural stability and therefore leads to outstanding fatigue resistance for 13.5Cr1.1W0.3Ti-ODS steel.

Preliminary Microstructural and Microscratch Results of Ni-Cr-Fe and Cr3C2-NiCr Coatings on Magnesium Substrate

NASA Astrophysics Data System (ADS)

Istrate, B.; Munteanu, C.; Lupescu, S.; Benchea, M.; Vizureanu, P.

2017-06-01

Thermal coatings have a large scale application in aerospace and automotive field, as barriers improving wear mechanical characteristics and corrosion resistance. In present research, there have been used two types of coatings, Ni-Cr-Fe, respectively Cr3C2-NiCr which were deposited on magnesium based alloys (pure magnesium and Mg-30Y master alloy). There have been investigated the microstructural aspects through scanning electronic microscopy and XRD analysis and also a series of mechanical characteristics through microscratch and indentation determinations. The results revealed the formation of some adherent layers resistant to the penetration of the metallic indenter, the coatings did not suffer major damages. Microstructural analysis highlighted the formation of Cr3C2, Cr7C3, Cr3Ni2, Cr7Ni3, FeNi3, Cr-Ni phases. Also, the apparent coefficient of friction for Ni-Cr-Fe coatings presents superior values than Cr3C2-NiCr coatings.

Formation of unusual Cr5+ charge state in CaCr0.5Fe0.5O3 perovskite

NASA Astrophysics Data System (ADS)

Dai, Jian-Hong; Zhao, Qing; Sun, Qian; Zhang, Shuo; Wang, Xiao; Shen, Xu-Dong; Liu, Zhe-Hong; Shen, Xi; Yu, Ri-Cheng; Chan, Ting-Shan; Li, Lun-Xiong; Zhou, Guang-Hui; Yang, Yi-feng; Jin, Chang-Qing; Long, You-Wen

2018-03-01

A new oxide CaCr0.5Fe0.5O3 was prepared under high pressure and temperature conditions. It crystallizes in a B-site disordered Pbnm perovskite structure. The charge combination is determined to be Cr5+/Fe3+ with the presence of unusual Cr5+ state in octahedral coordination, although Cr4+ and Fe4+ occur in the related perovskites CaCrO3 and CaFeO3. The randomly distributed Cr5+ and Fe3+ spins lead to short-range ferromagnetic coupling, whereas an antiferromagnetic phase transition takes place near 50 K due to the Fe3+–O–Fe3+ interaction. In spite of the B-site Cr5+/Fe3+ disorder, the compound exhibits electrical insulating behavior. First-principles calculations further demonstrate the formation of {CaCr}}0.55+{Fe}}0.53+{{{O}}}3 charge combination, and the electron correlation effect of Fe3+ plays an important role for the insulting ground state. CaCr0.5Fe0.5O3 provides the first Cr5+ perovskite system with octahedral coordination, opening a new avenue to explore novel transition-metal oxides with exotic charge states. Project supported by the National Natural Science Foundation of China (Grant Nos. 11574378, 51772324, and 61404052),the National Basic Research Program of China (Grant No. 2014CB921500), and the Chinese Academy of Sciences (Grant Nos. YZ201555, QYZDB-SSW-SLH013, GJHZ1773, and XDB07030300).

Structural classification of RAO3( MO) n compounds ( R =Sc, In, Y, or lanthanides; A =Fe(III), Ga, Cr, or Al; M =divalent cation; n = 1-11)

NASA Astrophysics Data System (ADS)

Kimizuka, Noboru; Mohri, Takahiko

1989-01-01

A series of new compounds RAO3( MO) n ( n = 1-11) having spinel, YbFe 2O 4, or InFeO 3(ZnO) n types of structures were newly synthesized ( R =Sc, In, Y, Lu, Yb, Tm, or Er; A =Fe(III), Ga, Cr, or Al; M =Mg, Mn, Fe(II), Co, Ni, Zn, or Cd) at elevated temperatures. The conditions of synthesis and the lattice constants for these compounds are reported. The stacking sequences of the InO 1.5, (FeZn)O 2.5, and ZnO layers for InFeO 3(ZnO) 10 and the TmO 1.5, (AlZn)O 2.5, and ZnO layers for TmAlO 3(ZnO) 11 are presented, respectively. The crystal structures of the( RAO3) m( MO) n phases ( R =Sc, In, Y, or lanthanide elements; A =Fe(III), Ga, Cr, or Al; M =divalent cation elements; m and n =integer) are classified into four crystal structure types (K 2NiF 4, CaFe 2O 4, YbFe 2O 4, and spinel), based upon the constituent cations R, A, and M

Oxygen potentials in Ni + NiO and Ni + Cr2O3 + NiCr2O4 systems

NASA Astrophysics Data System (ADS)

Kale, G. M.; Fray, D. J.

1994-06-01

The chemical potential of O for the coexistence of Ni + NiO and Ni + Cr2O3 + NiCr2O4 equilibria has been measured employing solid-state galvanic cells, (+) Pt, Cu + Cu2O // (Y2O3)ZrO2 // Ni + NiO, Pt (-) and (+) Pt, Ni + NiO // (Y2O3)ZrO2 // Ni + Cr2O3 + NiCr2O4, Pt (-) in the temperature range of 800 to 1300 K and 1100 to 1460 K, respectively. The electromotive force (emf) of both the cells was reversible, reproducible on thermal cycling, and varied linearly with temperature. For the coexistence of the two-phase mixture of Ni + NiO, δΜO 2(Ni + NiO) = -470,768 + 171.77T (±20) J mol-1 (800 ≤ T ≤ 1300 K) and for the coexistence of Ni + Cr2O3 + NiCr2O4, δΜO 2(Ni + Cr2O3 + NiCr2O4) = -523,190 + 191.07T (±100) J mol-1 (1100≤ T≤ 1460 K) The “third-law” analysis of the present results for Ni + NiO gives the value of ‡H{298/o} = -239.8 (±0.05) kJ mol-1, which is independent of temperature, for the formation of one mole of NiO from its elements. This is in excellent agreement with the calorimetric enthalpy of formation of NiO reported in the literature.

Aqueous chemical growth of alpha-Fe2O3-alpha-Cr203 nanocompositethin films

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

Vayssieres, Lionel; Guo, Jinghua; Nordgren, Joseph

2001-06-30

We are reporting here on the inexpensive fabrication and optical properties of an iron(III) oxide chromium(III) oxide nanocomposite thin film of corundum crystal structure. Its novel and unique-designed architecture consists of uniformed, well-defined and oriented nanorods of Hematite (alpha-Fe2O3) of 50 nm in diameter and 500nm in length and homogeneously distributed nonaggregated monodisperse spherical nanoparticles of Eskolaite (alpha-Cr2O3) of 250 nm in diameter. This alpha-Fe2O3 alpha-Cr2O3 nanocomposite thin film is obtained by growing, directly onto transparent polycrystalline conducting substrate, an oriented layer of hematite nanorods and growing subsequently, the eskolaite layer. The synthesis is carried out by a template-free, low-temperature,more » multilayer thin film coating process using aqueous solution of metal salts as precursors. Almost 100 percent of the light is absorbed by the composite film between 300 and 525 nm and 40 percent at 800 nm which yields great expectations as photoanode materials for photovoltaic cells and photocatalytic devices.« less

Molecular dynamics studies of displacement cascades in Fe-Y{sub 2}TiO{sub 5} system

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

Dholakia, Manan, E-mail: manan@igcar.gov.in; Chandra, Sharat; Jaya, S. Mathi

The effect of displacement cascade on Fe-Y{sub 2}TiO{sub 5} bilayer is studied using classical molecular dynamics simulations. Different PKA species – Fe, Y, Ti and O – with the same PKA energy of 8 keV are used to produce displacement cascades that encompass the interface. It is shown that Ti atom has the highest movement in the ballistic regime of cascades which can lead to Ti atoms moving out of the oxide clusters into the Fe matrix in ODS alloys.

Design and syntheses of hybrid metal-organic materials based on K3[M(C2O4)3]·3H2O [M(III)=Fe, Al, Cr] metallotectons

NASA Astrophysics Data System (ADS)

Sun, Yayong; Zong, Yingxia; Ma, Haoran; Zhang, Ao; Liu, Kang; Wang, Debao; Wang, Wenqiang; Wang, Lei

2016-05-01

By using K3[M(C2O4)3]·3H2O [M(III)=Fe, Al, Cr] (C2O42-=oxalate) metallotectons as the starting material, we have synthesized eight novel complexes with formulas [{Fe(C2O4)2(H2O)2}2]·(H-L1)2·H2O 1, [Fe(C2O4)Cl2]·(H2-L2)0.5·(L2)0.5·H2O 2, [{Fe(C2O4)1.5Cl2}2]·(H-L3)43, [Fe2(C2O4)Cl8]·(H2-L4)2·2H2O 4, K[Al(C2O4)3]·(H2-L5)·2H2O 5, K[Al(C2O4)3]·(H-L6)2·2H2O 6, K[Cr(C2O4)3]·2H2O 7, Na[Fe(C2O4)3]·(H-L6)2·2H2O 8 (with L1=4-dimethylaminopyridine, L2=2,3,5,6-tetramethylpyrazine, L3=2-aminobenzimidazole, L4=1,4-bis-(1H-imidazol-1-yl)benzene, L5=1,4-bis((2-methylimidazol-1-yl)methyl)benzene, L6=2-methylbenzimidazole). Their structures have been determined by single-crystal X-ray diffraction analyses, elemental analyses, IR spectra and thermogravimetric analyses. Compound 3 is a 2D H-bonded supramolecular architecture. Others are 3D supramolecular structures. Compound 1 shows a [Fe(C2O4)2(H2O)2]- unit and 3D antionic H-bonded framework. Compound 2 features a [Fe(C2O4)Cl2]- anion and 1D iron-oxalate-iron chain. Compound 3 features a [Fe2(C2O4)3Cl4]4- unit. Compound 4 features distinct [Fe2(C2O4)Cl8]4- units, which are mutual linked by water molecules to generated a 2D H-bonded network. Compound 5 features infinite ladder-like chains constructed by [Al(C2O4)3]3- units and K+ cations. The 1D chains are further extended into 3D antionic H-bonded framework through O-H···O H-bonds. Compounds 6-8 show 2D [KAl(C2O4)3]2- layer, [KCr(C2O4)3]2- layer and [NaFe(C2O4)3]2- layer, respectively.

Magnetic properties of Fe doped SmCrO{sub 3} perovskite

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

Bakshi, Venugopal Rao; Devarasetty, Suresh Babu, E-mail: s-devarasetty1956@yahoo.co.uk; Prasad, Bandi Vittal

2014-04-24

The compound SmCr{sub 1−x} Fe{sub x}O{sub 3} perovskites were prepared by citric acid route. the samples were characterized by XRD and SEM. The temperature and field dependent magnetization measurements were carried out in the temperature range of 5K −400 K at 0.01T field and −5T to 5T field at 2K. SmCrO3 compound has shown two magnetic transition temperatures at 197 K and 38 K. The observed behavior at 197 K is the characteristic of anti-ferromagnetic ordering of Cr{sup 3+} moments with weak ferromagnetism. The drop in magnetization below 38 K is due to the spin reorientation of Sm{sup 3+} inmore » anti ferromagnetic arrangement and Cr{sup 3+}spins. the doping of Fe in SmCrO{sub 3} compound has shown a decrease in T{sub N1} and also the two magnetization reversals at 177K and 57K. The magnetic behavior at low temperatures is (T« less

Co3O4-x-Carbon@Fe2-yCoyO3 Heterostructural Hollow Polyhedrons for the Oxygen Evolution Reaction.

PubMed

Xu, Wangwang; Xie, Weiwei; Wang, Ying

2017-08-30

Hollow heterostructured nanomaterials have received tremendous interest in new-generation electrocatalyst applications. However, the design and fabrication of such materials remain a significant challenge. In this work, we present Co 3 O 4-x -carbon@Fe 2-y Co y O 3 heterostructural hollow polyhedrons that have been fabricated by facile thermal treatment followed by solution-phase growth for application as efficient oxygen evolution reaction (OER) electrocatalysts. Starting from a single ZIF-67 hollow polyhedron, a novel complex structured composite material constructed from Co 3 O 4-x nanocrystallite-embedded carbon matrix embedded with Fe 2-y Co y O 3 nanowires was successfully prepared. The Co 3 O 4-x nanocrystallite with oxygen vacancies provides both heterogeneous nucleation sites and growth platform for Fe 2-y Co y O 3 nanowires. The resultant heterostructure combines the advantages of Fe 2-y Co y O 3 nanowires with the large surface area and surface defects of Co 3 O 4-x nanocrystallite, resulting in improved electrocatalytic activity and electrical conductivity. As a result, such novel heterostructured OER electrocatalysts exhibit much lower onset potential (1.52 V) and higher current density (70 mA/cm 2 at 1.7 V) than Co 3 O 4-x -carbon hollow polyhedrons (onset 1.55 V, 35 mA/cm 2 at 1.7 V) and pure Co 3 O 4 hollow polyhedrons (onset 1.62 V, 5 mA/cm 2 at 1.7 V). Furthermore, the design and synthesis of metal-organic framework (MOF)-derived nanomaterials in this work offer new opportunities for developing novel and efficient electrocatalysts in electrochemical devices.

Structural and Mössbauer characterization of the ball milled Fe x(Cr 2O 3) 1- x system

NASA Astrophysics Data System (ADS)

Biondo, Valdecir; de Medeiros, Suzana Nóbrega; Paesano, Andrea, Jr.; Ghivelder, Luis; Hallouche, Bachir; da Cunha, João Batista Marimon

2009-08-01

The Fe x(Cr 2O 3) 1- x system, with 0.10 ≤ X ≤ 0.80, was mechanically processed for 24 h in a high-energy ball-mill. In order to examine the possible formation of iron-chromium oxides and alloys, the milled samples were, later, thermally annealed in inert (argon) and reducing (hydrogen) atmospheres. The as-milled and annealed products were characterized by X-ray diffraction, Mössbauer spectroscopy, transmission electron microscopy and magnetization. The as-milled samples showed the formation of an Fe 1+ YCr 2- YO 4- δ nanostructured and disordered spinel phase, the α 1-Fe(Cr) and α 2-Cr(Fe) solid solutions and the presence of non-exhausted precursors. For the samples annealed in inert atmosphere, the chromite (FeCr 2O 4) formation and the recrystallization of the precursors were verified. The hydrogen treated samples revealed the reduction of the spinel phase, with the phase separation of the chromia phase and retention of the Fe-Cr solid solutions. All the samples, either as-milled or annealed, presented the magnetization versus applied field curves typical for superparamagnetic systems.

Polyethylenimine functionalized Fe3O4/steam-exploded rice straw composite as an efficient adsorbent for Cr(VI) removal

NASA Astrophysics Data System (ADS)

Zhang, Shengli; Wang, Zhikai; Chen, Haoyu; Kai, Chengcheng; Jiang, Man; Wang, Qun; Zhou, Zuowan

2018-05-01

Polyethyleneimine functionalized Fe3O4/steam-exploded rice straw composite (Fe3O4-PEI-SERS), which combines magnetic separation with adsorption of PEI functionalized biosorbent, was successfully prepared via a simple glutaraldehyde crosslinking method. Its adsorption potential for the removal of Cr(VI) was systematically studied in batch mode. Results showed that Cr(VI) adsorption on Fe3O4-PEI-SESERS was highly pH-dependent, and the optimum pH was 2.0. The time to reach equilibrium was related to initial Cr(VI) concentration and was 1 and 6 h for 200 and 300 mg/L of Cr(VI), respectively. The adsorption system followed pseudo-second-order kinetic model and Langmuir isotherm. Its maximum adsorption capacity was 280.11, 317.46 and 338.98 mg/g at 25, 35 and 45 °C, respectively. The competitive uptake from coexisting ions (K+, Na+, Cu2+, Cl- and NO3-) was insignificant except SO42-. After six adsorption/desorption cycles, the adsorbent retained good adsorption capacity. The Cr(VI) removal involved its partial reduction into Cr(III). Due to the properties of high adsorption capacity, strong magnetic responsiveness, good reusability and Cr(VI) detoxification, the Fe3O4-PEI-SESERS has a potential application in Cr(VI) removal from wastewater.

Magnetic moment directions and distributions of cations in Cr (Co) substituted spinel ferrites Ni0.7Fe2.3O4

NASA Astrophysics Data System (ADS)

Xue, L. C.; Lang, L. L.; Xu, J.; Li, Z. Z.; Qi, W. H.; Tang, G. D.; Wu, L. Q.

2015-09-01

Powder samples of the spinel ferrites MxNi0.7-xFe2.3O4 (M = Cr, Co and 0.0 ≤ x ≤ 0.3) and CrxNi0.7Fe2.3-xO4 (0.0 ≤ x ≤ 0.3) were synthesized using the chemical co-precipitation method. The XRD spectra confirmed that the samples had a single-phase cubic spinel structure. Magnetic measurements showed that the magnetic moments (μexp) per formula both at 10 K and 300 K increased with Co substitution, while the values of μexp decreased with Cr substitution. Applying the assumption that the magnetic moments of Cr2+ and Cr3+ lie antiparallel to those of the divalent and trivalent Fe, Co, and Ni cations in the same sublattice of spinel ferrites, these interesting behaviors could be easily interpreted. The cation distributions of the three series of samples were estimated successfully by fitting the dependences of μexp, measured at 10 K, on the doping level x, using a quantum-mechanical potential barrier model earlier proposed by our group. The results obtained for the Cr cation distributions at the (A) and [B] sites are very close to those obtained elsewhere using neutron diffraction.

Synthesis, Rietveld refinements, Infrared and Raman spectroscopy studies of the sodium diphosphate NaCryFe1-yP2O7 (0 ≤ y ≤ 1)

NASA Astrophysics Data System (ADS)

Bih, H.; Saadoune, I.; Bih, L.; Mansori, M.; ToufiK, H.; Fuess, H.; Ehrenberg, H.

2016-01-01

In the present study we report on the synthesis and crystal structure studies of NaCryFe1-yP2O7 sodium diphosphate solid solution (0 ≤ y ≤ 1). The X-ray diffraction shows that these compounds are isostructural with NaFeP2O7 and NaCrP2O7 (space group P21/c (C2h5) Z = 4). The Rietveld refinements based on the XRD patterns show the existence of a continuous solid solution over the whole composition range (0 ≤ y ≤ 1). A continuous evolution of the monoclinic unit cell parameters was obtained. The transition metal ions (Cr3+ and/or Fe3+) connect the diphosphate anions forming a three-dimensional network with cages filled by Na+ cations. IR and Raman spectra have been interpreted using factor group analysis. A small shift of the band frequencies is observed when Fe is substituted by Cr. The POP bridge angles are determined from Lazarev's relation and agree well with those deduced from the crystal structure refinement.

Moessbauer studies in Zn(2+)0.3 Mn(2+)0.7 Mn(3+) (2-y) Fe(3+) (2-y) O4

NASA Technical Reports Server (NTRS)

Gupta, R. G.; Mendiratta, R. G.; Escue, W. T.

1975-01-01

The Mossbauer effect has proven to be effective in the study of nuclear hyperfine interactions. Ferrite systems having the formula (Zn(2+)0.3)(Mn(2+)0.7)(Mn(3+)y)(Fe(3+)2-y)(O4) were prepared and studied. These systems can be interpreted as mangacese-doped zinc and a part of iron ions. A systematic study of these systems is presented to promote an understanding of their microstructure for which various theories were proposed.

Magnetic interactions in La0.7Sr0.3Mn1-xMexO3 (Me=Ga, Fe, Cr) manganites

NASA Astrophysics Data System (ADS)

Troyanchuk, I. O.; Bushinsky, M. V.; Karpinsky, D. V.; Tereshko, N. V.; Dobryansky, V. M.; Többens, D. M.; Sikolenko, V.; Efimov, V.

2015-11-01

Magnetic properties and crystal structure of La0.7Sr0.3Mn1-xMexO3 (Me=Ga, Fe, Cr; x≤0.3) have been studied by neutron powder diffraction and magnetization measurements. It is shown that substitution of manganese ions by chromium or gallium ions (x=0.3) leads to phase separation into antiferromagnetic and ferromagnetic phases whereas replacement by Fe ions stabilizes spin glass state (x=0.3). Ferromagnetic interactions in Cr-substituted compounds are much more pronounced than in Fe- and Ga-doped ones. Magnetic properties are discussed in the model assuming a dominance of superexchange interactions. It is considered that ferromagnetism in the Cr-substituted compositions is associated with nearly equal contributions from positive and negative components of the superexchange interaction between Mn3+ and Cr3+ ions as well as to mixed valence of chromium ions. The spin glass state observed for the Fe-doped sample (x=0.3) is associated with strong antiferromagnetic superexchange between Fe3+-O-Fe3+ and Fe3+-O-(Mn3+, Mn4+).

Structural classification of RAO/sub 3/(MO)/sub n/ compounds (R = Sc, In, Y, or lanthanides; A = Fe(III), Ga, Cr, or Al; M = divalent cation; n = 1-11)

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

Kimizuka, N.; Mohri, T.

A series of new compounds (RAO/sub 3/MO)/sub n/ (n = 1-11) having spinel, YbFe/sub 2/O/sub 4/, or InFeO/sub 3/(ZnO)/sub n/ types of structures were newly synthesized (R = Sc, In, Y, Lu, Yb, Tm, or Er; A = Fe(III), Ga, Cr, or Al; M = Mg, Mn, Fe(II), Co, Ni, Zn, or Cd) at elevated temperatures. The conditions of synthesis and the lattice constants for these compounds are reported. The stacking sequences of the InO/sub 1.5/, (FeZn)O/sub 2.5/, and ZnO layers for InFeO/sub 3/(ZnO)/sub 10/ and the TmO/sub 1.5/, (AlZn)O/sub 2.5/, and ZnO layers for TmAlO/sub 3/(ZnO)/sub 11/ are presented,more » respectively. The crystal structures of the (RAO/sub 3/)/sub m/(MO)/sub n/ phases R = Sc, In, Y, or lanthanide elements; A = Fe(III), Ga, Cr, or Al; M = divalent cation elements; m and n = integer are classified into four crystal structure types (K/sub 2/NiF/sub 4/, CaFe/sub 2/O/sub 4/, YbFe/sub 2/O/sub 4/, and spinel), based upon the constituent cations R, A, and M.« less

First-principles investigation of diffusion and defect properties of Fe and Ni in Cr2O3

NASA Astrophysics Data System (ADS)

Rak, Zs.; Brenner, D. W.

2018-04-01

Diffusion of Fe and Ni and the energetics of Fe- and Ni-related defects in chromium oxide (α-Cr2O3) are investigated using first-principles Density Functional Theory calculations in combination with the climbing-image nudged elastic band method. The orientations of the spin magnetic moments of the migrating ions are taken into account and their effects on migration barriers are examined. Several possible diffusion pathways were explored through interstitial and vacancy mechanisms, and it was found that the principal mode of ion transport in Cr2O3 is via vacancies. Both interstitial- and vacancy-mediated diffusions are anisotropic, with diffusion being faster in the z-direction. The energetics of defect formation indicates that the Ni-related defects are less stable than the Fe-related ones. This is consistent with Ni-diffusion being faster than Fe-diffusion. The results are compared with previous theoretical and experimental data and possible implications in corrosion control are discussed.

Magnetocaloric effect in cubic spinel Co(Cr0.95Fe0.05)2O4

NASA Astrophysics Data System (ADS)

Kumar, Ram; Rayaprol, S.; Xiao, Y.; Ji, W.; Siruguri, V.; Pal, D.

2018-04-01

The crystal structure, magnetic properties and magnetocaloric effect (MCE) of Co(Cr0.95Fe0.05)2O4 have been studied. Co(Cr0.95Fe0.05)2O4 synthesized by solid-state reaction method, crystallizes in normal cubic spinel structure with Fd-3m space group. Neutron powder diffraction (NPD) and magnetic measurements when compared to the undoped CoCr2O4, show that the compound is ferrimagnetic (FIM) and transition temperature (TC) is enhanced due to Fe substitution. Analysis of structural and magnetic properties shows the existence of two different sites of magnetic clusters due to Fe/Cr cation disorder. The competition between the moments of the two different sub-lattices gives rise to the temperature induced magnetization reversal at compensation tempearature (Tcomp) = 44 K. The magnetocaloric effect (simply the change in magnetic entropy i.e, -ΔSM) has been observed in Co(Cr0.95Fe0.05)2O4 with different applied magnetic fields (max. H = 90 kOe). We found maximum change of magnetic entropy ˜1.2 J/kg K, for a field change of 90 kOe at FIM transition temperature (TC˜110 K) with relative cooling power (RCP) of ˜13 J/kg. Moreover, the sign change of -ΔSM across the compensation temperature (Tcomp˜ 44 K) shows another phase transition across Tcomp in Co(Cr0.95Fe0.05)2O4. The values of MCE and RCP are also appreciable so as to consider Co(Cr0.95Fe0.05)2O4 as a magnetic refrigerant above liquid nitrogen temperature.

Characterization and application of the hetero-junction ZnFe2O4/TiO2 for Cr(VI) reduction under visible light

NASA Astrophysics Data System (ADS)

Rekhila, G.; Trari, M.; Bessekhouad, Y.

2017-06-01

The spinel ZnFe2O4 prepared by nitrate route is used as dispersed photons collector capable to sensitize TiO2 under visible light and to reduce Cr(VI) into trivalent state. The transport properties, optical and photo-electrochemical characterizations are correlated, to build the energetic diagram of the hetero-system ZnFe2O4/TiO2/CrO4 - solution. A gap of 1.97 eV is obtained for the spinel from the diffuse reflectance. The conduction band of ZnFe2O4 (-1.47 V SCE) favors the electrons injection into TiO2, permitting a physical separation of the charge carriers. The oxidation of oxalic acid by photoholes prevents the corrosion of the spinel. The best configuration ZnFe2O4 (75 %)/TiO2 (25 %) is used to catalyze the downhill reaction (2HCrO4 - + 3C2H4O4 + 1.5O2 + 8H+ → 2Cr3+ + 6CO2 + 11 H2O, Δ G° = -557 kcal mol-1). 60 % of Cr(VI) are reduced after 3 h of visible light illumination and the photoactivity follows a first-order kinetic with a half-life of 70 min. The water reduction competes with the HCrO4 - reduction which is the reason in the regression of the photoactivity; a hydrogen evolution rate of 24 µmol mg-1 h-1 is obtained.

Electronic, magnetic, and optical properties of Semiconducting Spinel Fe2CrO4

NASA Astrophysics Data System (ADS)

Droubay, Tim; Kaspar, Tiffany; Nayyar, Iffat; Keavney, David; Sushko, Peter; Chambers, Scott

Transition metal oxides offer significant flexibility in tailoring functional properties by virtue of the high degree of solid solubility of different cations within the host lattice. For instance, the electronic properties of magnetite (Fe3O4) , a ferrimagnetic half metal, can be substantially changed by substituting one third of the Fe cations with Mn, Ni, Co, Zn or Mg. The actual magnetic properties of any given ferrite depend critically on whether the dopant occupies the tetrahedral (A) or octahedral (B) sites, or a mix of the two. Doping magnetite to produce a ferromagnetic semiconductor would be of considerable interest for spintronics and photocatalysis, particularly if the bandgap remains small. The detailed functional properties depend on the local structure, which is dictated in large measure by the cation sublattice(s) the dopants occupy, the valence(s) they exhibit, and the relative energy scales of competing effects, including short-range disorder, that determine the overall electronic structure. We have investigated Cr as the dopant in Fe3O4 by carrying out epitaxial film growth by molecular beam epitaxy and characterization, along with first principles modeling to explore new model materials. We find that replacing 1/3 of the Fe atoms with Cr atoms results in a low-gap, thermally robust ferrimagnetic semiconductor that is photoconductive in the visible, whereas replacing 2/3 of the Fe with Cr produces an insulator with no net magnetization. PNNL work supported by the U.S. Department of Energy, Office of Science, Division of Materials Sciences and Engineering.

Design and syntheses of hybrid metal–organic materials based on K{sub 3}[M(C{sub 2}O{sub 4}){sub 3}]·3H{sub 2}O [M(III)=Fe, Al, Cr] metallotectons

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

Sun, Yayong; Zong, Yingxia; Ma, Haoran

2016-05-15

By using K{sub 3}[M(C{sub 2}O{sub 4}){sub 3}]·3H{sub 2}O [M(III)=Fe, Al, Cr] (C{sub 2}O{sub 4}{sup 2−}=oxalate) metallotectons as the starting material, we have synthesized eight novel complexes with formulas [{Fe(C_2O_4)_2(H_2O)_2}{sub 2}]·(H–L{sub 1}){sub 2}·H{sub 2}O 1, [Fe(C{sub 2}O{sub 4})Cl{sub 2}]·(H{sub 2}–L{sub 2}){sub 0.5}·(L{sub 2}){sub 0.5}·H{sub 2}O 2, [{Fe(C_2O_4)_1_._5Cl_2}{sub 2}]·(H–L{sub 3}){sub 4}3, [Fe{sub 2}(C{sub 2}O{sub 4})Cl{sub 8}]·(H{sub 2}–L{sub 4}){sub 2}·2H{sub 2}O 4, K[Al(C{sub 2}O{sub 4}){sub 3}]·(H{sub 2}–L{sub 5})·2H{sub 2}O 5, K[Al(C{sub 2}O{sub 4}){sub 3}]·(H–L{sub 6}){sub 2}·2H{sub 2}O 6, K[Cr(C{sub 2}O{sub 4}){sub 3}]·2H{sub 2}O 7, Na[Fe(C{sub 2}O{sub 4}){sub 3}]·(H–L{sub 6}){sub 2}·2H{sub 2}O 8 (with L{sub 1}=4-dimethylaminopyridine, L{sub 2}=2,3,5,6-tetramethylpyrazine, L{sub 3}=2-aminobenzimidazole, L{sub 4}=1,4-bis-(1H-imidazol-1-yl)benzene, L{sub 5}=1,4-bis((2-methylimidazol-1-yl)methyl)benzene,more » L{sub 6}=2-methylbenzimidazole). Their structures have been determined by single-crystal X-ray diffraction analyses, elemental analyses, IR spectra and thermogravimetric analyses. Compound 3 is a 2D H-bonded supramolecular architecture. Others are 3D supramolecular structures. Compound 1 shows a [Fe(C{sub 2}O{sub 4}){sub 2}(H{sub 2}O){sub 2}]{sup −} unit and 3D antionic H-bonded framework. Compound 2 features a [Fe(C{sub 2}O{sub 4})Cl{sub 2}]{sup -} anion and 1D iron-oxalate-iron chain. Compound 3 features a [Fe{sub 2}(C{sub 2}O{sub 4}){sub 3}Cl{sub 4}]{sup 4−} unit. Compound 4 features distinct [Fe{sub 2}(C{sub 2}O{sub 4})Cl{sub 8}]{sup 4−} units, which are mutual linked by water molecules to generated a 2D H-bonded network. Compound 5 features infinite ladder-like chains constructed by [Al(C{sub 2}O{sub 4}){sub 3}]{sup 3−} units and K{sup +} cations. The 1D chains are further extended into 3D antionic H-bonded framework through O–H···O H-bonds. Compounds 6–8 show 2D [KAl

Effect of Cr2O3 Pickup on Dissolution of Lime in Converter Slag

NASA Astrophysics Data System (ADS)

Yan, Wei; Chen, Weiqing; Zhao, Xiaobo; Yang, Yindong; McLean, Alex

2017-09-01

Application of low-nickel laterite ore containing chromium as charging material for ironmaking can reduce raw material costs, but result in an increase of chromium content in the hot metal and hence, Cr2O3 content in the steelmaking slag, which subsequently causes many problems related to lime dissolution for the steelmaking operation. In this work, a rotating cylinder method was employed to study the effect of Cr2O3 on lime dissolution in steelmaking slag. The lime dissolution mechanism, rate control step and affecting factors, including slag basicity, FeOx and B2O3 content, and the formation of phases at reacted layer, were discussed. It was found that mass transfer was the rate control step in slag phase, increase of Cr2O3 and slag basicity delayed lime dissolution due to the formation of high-melting temperature phases of FeO · Cr2O3 spinel and 2CaO · SiO2 at the slag/lime reacted interface. Addition of B2O3 promoted lime dissolution and suppressed formation of FeO · Cr2O3 spinel.

Phase diagram of multiferroic KCu3As2O7(OD ) 3

NASA Astrophysics Data System (ADS)

Nilsen, Gøran J.; Simonet, Virginie; Colin, Claire V.; Okuma, Ryutaro; Okamoto, Yoshihiko; Tokunaga, Masashi; Hansen, Thomas C.; Khalyavin, Dmitry D.; Hiroi, Zenji

2017-06-01

The layered compound KCu3As2O7(OD ) 3 , comprising distorted kagome planes of S =1 /2 Cu2 + ions, is a recent addition to the family of type-II multiferroics. Previous zero-field neutron diffraction work has found two helically ordered regimes in KCu3As2O7(OD ) 3 , each showing a distinct coupling between the magnetic and ferroelectric order parameters. Here, we extend this work to magnetic fields up to 20 T using neutron powder diffraction, capacitance, polarization, and high-field magnetization measurements, hence determining the H -T phase diagram. We find metamagnetic transitions in both low-temperature phases around μ0Hc˜3.7 T, which neutron powder diffraction reveals to correspond to rotations of the helix plane away from the easy plane, as well as a small change in the propagation vector. Furthermore, we show that the sign of the ferroelectric polarization is reversible in a magnetic field, although no change is observed (or expected on the basis of the magnetic structure) due to the transition at 3.7 T. We finally justify the temperature dependence of the polarization in both zero-field ordered phases by a symmetry analysis of the free energy expansion, and attempt to account for the metamagnetic transition by adding anisotropic exchange interactions to our existing model for KCu3As2O7(OD ) 3 .

Magnetic and magnetocaloric properties of HoCr0.75Fe0.25O3 compound

NASA Astrophysics Data System (ADS)

Kotnana, Ganesh; Babu, P. D.; Jammalamadaka, S. Narayana

2018-05-01

We report on the magnetic and magnetocaloric properties of HoCr0.75Fe0.25O3 compound around the Néel temperature (TN), which is due to Cr3+ ordering. Susceptibility (χ) vs. temperature (T) graph of HoCr0.75Fe0.25O3 compound infer two transitions due to the ordering of Cr3+ moments (TN ˜ 155 K) and Ho3+ moments (TNHo ˜ 8 K). Magnetic entropy (-ΔSM) value of 1.14 J kg-1 K-1 around 157.5 K with a magnetic field (H) of 90 kOe is attributed to antiferromagnetic (AFM) ordering of Cr3+ moments. A maximum value of adiabatic temperature (ΔTad) ˜ 0.41 K around TN is obtained and is found to increases with applied magnetic field. Negative slope for H/M vs. M2 graph is evident for HoCr0.75Fe0.25O3 compound below TN, which indicates the first order phase transition. Quantified values of -ΔSM and ΔTad open the way to explore rare earth orthochromites for the MCE properties and refrigeration applications.

Observation of magnetization and exchange bias reversals in NdFe0.5Cr0.5O3

NASA Astrophysics Data System (ADS)

Sharannia, M. P.; De, Santanu; Singh, Ripandeep; Das, A.; Nirmala, R.; Santhosh, P. N.

2017-05-01

Polycrystalline NdFe0.5Cr0.5O3 has orthorhombic structure with Pnma space group and is magnetically ordered at room temperature as confirmed by neutron diffraction. The magnetic structure involves CxGyFz type ordering of Fe3+/Cr3+ ions. NdFe0.5Cr0.5O3 shows magnetization reversal and sign reversal of exchange bias at 16 K. Nd3+ moments that get induced by the internal field of |Fe+Cr| sublattice couple antiferromagnetically with the ferromagnetic component of |Fe+Cr| sublattice. Nd3+ moments overcome the |Fe+Cr| moments at 16 K below which the material shows negative magnetization and positive exchange bias.

Critical Evaluations and Thermodynamic Optimizations of the MnO-Mn2O3-SiO2 and FeO-Fe2O3-MnO-Mn2O3-SiO2 Systems

NASA Astrophysics Data System (ADS)

Kang, Youn-Bae; Jung, In-Ho

2017-06-01

A critical evaluation and thermodynamic modeling for thermodynamic properties of all oxide phases and phase diagrams in the Fe-Mn-Si-O system (MnO-Mn2O3-SiO2 and FeO-Fe2O3-MnO-Mn2O3-SiO2 systems) are presented. Optimized Gibbs energy parameters for the thermodynamic models of the oxide phases were obtained which reproduce all available and reliable experimental data within error limits from 298 K (25°C) to above the liquidus temperatures at all compositions covering from known oxide phases, and oxygen partial pressure from metal saturation to 0.21 bar. The optimized thermodynamic properties and phase diagrams are believed to be the best estimates presently available. Slag (molten oxide) was modeled using the modified quasichemical model in the pair approximation. Olivine (Fe2SiO4-Mn2SiO4) was modeled using two-sublattice model in the framework of the compound energy formalism (CEF), while rhodonite (MnSiO3-FeSiO3) and braunite (Mn7SiO_{12} with excess Mn2O3) were modeled as simple Henrian solutions. It is shown that the already developed models and databases of two spinel phases (cubic- and tetragonal-(Fe, Mn)3O4) using CEF [Kang and Jung, J. Phys. Chem. Solids (2016), vol. 98, pp. 237-246] can successfully be integrated into a larger thermodynamic database to be used in practically important higher order system such as silicate. The database of the model parameters can be used along with a software for Gibbs energy minimization in order to calculate any type of phase diagram section and thermodynamic properties.

Negative spin Hall magnetoresistance in antiferromagnetic Cr2O3/Ta bilayer at low temperature region

NASA Astrophysics Data System (ADS)

Ji, Yang; Miao, J.; Zhu, Y. M.; Meng, K. K.; Xu, X. G.; Chen, J. K.; Wu, Y.; Jiang, Y.

2018-06-01

We demonstrate the negative spin Hall magnetoresistance (SMR) observed in antiferromagnetic Cr2O3/Ta bilayers at low temperature. The SMR signals are changed from the positive to negative magnitude when monotonously reducing the temperature from 300 K to 50 K. The positive and negative SMR signals are expected to be associated with the two different ways for injection of the spin current, into the boundary ferromagnetic region and the bulk antiferromagnetic region of α-Cr2O3 (0001), respectively. The slopes of the abnormal Hall curves exhibit the same sign with the SMR signal. From the SMR ratio under 3 T, the spin mixing conductance at the Cr2O3/Ta interface is estimated to be 1.12 × 1014 Ω-1.m-2, which is comparable to the one observed in the Y3Fe5O12(YIG)/Pt structure and our early results of the Cr2O3/W structure.

High yttria ferritic ODS steels through powder forging

NASA Astrophysics Data System (ADS)

Kumar, Deepak; Prakash, Ujjwal; Dabhade, Vikram V.; Laha, K.; Sakthivel, T.

2017-05-01

Oxide dispersion strengthened (ODS) steels are being developed for future nuclear reactors. ODS Fe-18%Cr-2%W-0.2%Ti steels with 0, 0.35, 0.5, 1 and 1.5% Y2O3 (all compositions in weight%) dispersion were fabricated by mechanical alloying of elemental powders. The powders were placed in a mild steel can and forged in a stream of hydrogen gas at 1473 K. The steels were forged again to final density. The strength of ODS steel increased with yttria content. Though this was accompanied by a decrease in tensile elongation, all the steels showed significant ductility. The ductility in high yttria alloys may be attributed to improved inter-particle bonding between milled powders due to reduction of surface oxides by hydrogen. This may permit development of ODS steels with yttria contents higher than the conventional limit of 0.5%. It is suggested that powder forging is a promising route to fabricate ODS steels with high yttria contents and improved ductility.

Phase formation in the (1-y)BiFeO{sub 3}-yBiScO{sub 3} system under ambient and high pressure

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

Salak, A.N., E-mail: salak@ua.pt; Khalyavin, D.D., E-mail: dmitry.khalyavin@stfc.ac.uk; Pushkarev, A.V.

Formation and thermal stability of perovskite phases in the BiFe{sub 1-y}Sc{sub y}O{sub 3} system (0≤y≤0.70) were studied. When the iron-to-scandium substitution rate does not exceed about 15 at%, the single-phase perovskite ceramics with the rhombohedral R3c symmetry (as that of the parent compound, BiFeO{sub 3}) can be prepared from the stoichiometric mixture of the respective oxides at ambient pressure. Thermal treatment of the oxide mixtures with a higher content of scandium results in formation of two main phases, namely a BiFeO{sub 3}-like R3c phase and a cubic (I23) sillenite-type phase based on γ-Bi{sub 2}O{sub 3}. Single-phase perovskite ceramics of themore » BiFe{sub 1-y}Sc{sub y}O{sub 3} composition were synthesized under high pressure from the thermally treated oxide mixtures. When y is between 0 and 0.25 the high-pressure prepared phase is the rhombohedral R3c with the √2a{sub p}×√2a{sub p}×2√3a{sub p} superstructure (a{sub p} ~ 4 Å is the pseudocubic perovskite unit-cell parameter). The orthorhombic Pnma phase (√2a{sub p}×4a{sub p}×2√2a{sub p}) was obtained in the range of 0.30≤y≤0.60, while the monoclinic C2/c phase (√6a{sub p}×√2a{sub p}×√6a{sub p}) is formed when y=0.70. The normalized unit-cell volume drops at the crossover from the rhombohedral to the orthorhombic composition range. The perovskite BiFe{sub 1-y}Sc{sub y}O{sub 3} phases prepared under high pressure are metastable regardless of their symmetry. At ambient pressure, the phases with the compositions in the ranges of 0.20≤y≤0.25, 0.30≤y<0.50 and 0.50≤y≤0.70 start to decompose above 970, 920 and 870 K, respectively. - Graphical abstract: Formation of perovskite phases in the BiFe{sub 1-y}Sc{sub y}O{sub 3} system when y≥0.15 requires application of pressure of several GPa. The phases formed under high pressure: R3c (0.20≤y≤0.25), Pnma (0.30≤y≤0.60) and C2/c (y≥0.70) are metastable. - Highlights: • Maximal Fe-to-Sc substitution rate

TEM and HRTEM study of oxide particles in an Al-alloyed high-Cr oxide dispersion strengthened ferritic steel with Hf addition

NASA Astrophysics Data System (ADS)

Dou, Peng; Kimura, Akihiko; Kasada, Ryuta; Okuda, Takanari; Inoue, Masaki; Ukai, Shigeharu; Ohnuki, Somei; Fujisawa, Toshiharu; Abe, Fujio; Jiang, Shan; Yang, Zhigang

2017-03-01

The nanoparticles in an Al-alloyed high-Cr oxide dispersion strengthened (ODS) ferritic steel with Hf addition, i.e., SOC-16 (Fe-15Cr-2W-0.1Ti-4Al-0.62Hf-0.35Y2O3), have been examined by transmission electron microscopy (TEM) and high resolution transmission electron microscopy (HRTEM). Relative to an Al-alloyed high-Cr ODS ferritic steel without Hf addition, i.e., SOC-9 (Fe-15.5Cr-2W-0.1Ti-4Al-0.35Y2O3), the dispersion morphology and coherency of the oxide nanoparticles in SOC-16 were significantly improved. Almost all the small nanoparticles (diameter <10 nm) in SOC-16 were found to be consistent with cubic Y2Hf2O7 oxides with the anion-deficient fluorite structure and coherent with the bcc steel matrix. The larger particles (diameter >10 nm) were also mainly identified as cubic Y2Hf2O7 oxides with the anion-deficient fluorite structure. The results presented here are compared with those of SOC-9 with a brief discussion of the underlying mechanisms of the unusual thermal and irradiation stabilities of the oxides as well as the superior strength, excellent irradiation tolerance and extraordinary corrosion resistance of SOC-16.

Thermodynamic approach to the stability of multi-phase systems. Application to the Y 2O 3–Fe system

DOE PAGES

Samolyuk, German D.; Osetskiy, Yury N.

2015-07-07

Oxide-metal systems (OMSs) are important in many practical applications, and therefore, are under extensive studies using a wide range of techniques. The most accurate theoretical approaches are based on density functional theory (DFT), which are limited to ~10 2 atoms. Multi-scale approaches, e.g., DFT+Monte Carlo, are often used to model OMSs at the atomic level. These approaches can describe qualitatively the kinetics of some processes but not the overall stability of OMSs. In this paper, we propose a thermodynamic approach to study equilibrium in multiphase systems, which can be sequentially enhanced by considering different defects and microstructures. We estimate themore » thermodynamic equilibrium by minimization the free energy of the whole multiphase system using a limited set of defects and microstructural objects for which the properties are calculated by DFT. As an example, we consider Y 2O 3+bcc Fe with vacancies in both the Y 2O 3 and bcc Fe phases, Y substitutions and O interstitials in Fe, Fe impurities and antisite defects in Y 2O 3. The output of these calculations is the thermal equilibrium concentration of all the defects for a particular temperature and composition. The results obtained confirmed the high temperature stability of yttria in iron. As a result, model development towards more accurate calculations is discussed.« less

Magnetic moment directions and distributions of cations in Cr (Co) substituted spinel ferrites Ni{sub 0.7}Fe{sub 2.3}O{sub 4}

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

Xue, L. C.; Lang, L. L.; Li, Z. Z.

2015-09-15

Powder samples of the spinel ferrites M{sub x}Ni{sub 0.7−x}Fe{sub 2.3}O{sub 4} (M = Cr, Co and 0.0 ≤ x ≤ 0.3) and Cr{sub x}Ni{sub 0.7}Fe{sub 2.3−x}O{sub 4} (0.0 ≤ x ≤ 0.3) were synthesized using the chemical co-precipitation method. The XRD spectra confirmed that the samples had a single-phase cubic spinel structure. Magnetic measurements showed that the magnetic moments (μ{sub exp}) per formula both at 10 K and 300 K increased with Co substitution, while the values of μ{sub exp} decreased with Cr substitution. Applying the assumption that the magnetic moments of Cr{sup 2+} and Cr{sup 3+} lie antiparallel tomore » those of the divalent and trivalent Fe, Co, and Ni cations in the same sublattice of spinel ferrites, these interesting behaviors could be easily interpreted. The cation distributions of the three series of samples were estimated successfully by fitting the dependences of μ{sub exp}, measured at 10 K, on the doping level x, using a quantum-mechanical potential barrier model earlier proposed by our group. The results obtained for the Cr cation distributions at the (A) and [B] sites are very close to those obtained elsewhere using neutron diffraction.« less

Crystallographic and magnetic properties of sol-gel synthesized T xCo 1-xFe 2O 4 (T=Mn and Cr) thin films

NASA Astrophysics Data System (ADS)

Kim, Kwang Joo; Kyung Kim, Hee; Ran Park, Young; Choi, Seung-li; Eun Kim, Sung; Jung Lee, Hee; Yun Park, Jae; Jin Kim, Sam

Effects of Mn and Cr substitution for Co on crystallographic and magnetic properties of inverse-spinel CoFe 2O 4 thin films were investigated. The crystal structure of the samples remain cubic for x<1 with the lattice constant ( a0) increasing with x for Mn doping and remaining constant for Cr doping. Tetrahedral Fe 2+ ions were detected in Cr xCo 1-xFe 2O 4 by Mössbauer spectroscopy while no such ions existed in Mn xCo 1-xFe 2O 4. The appearance of the tetrahedral Fe 2+ ions can be explained in terms of the Cr 3+ substitution for the octahedral Co 2+ sites with the resultant charge imbalance being compensated by a reduction of the tetrahedral Fe 3+ into Fe 2+. The observed variation in a0 and magnetic properties can be partly explained in terms of Mn 2+ and Cr 3+ substitution of octahedral sites in Mn xCo 1-xFe 2O 4 and Cr xCo 1-xFe 2O 4, respectively.

Nonstoichiometric Zn Ferrite and ZnFe2O4/Fe2O3 Composite Spheres: Preparation, Magnetic Properties, and Chromium Removal

NASA Astrophysics Data System (ADS)

Hang, Chun-Liang; Yang, Li-Xia; Sun, Chang-Mei; Liang, Ying

2018-03-01

Monodisperse and porous nonstoichiometric Zn ferrite can be prepared by a solvothermal method. Such non-Zn ferrite was used to be the precursor for synthesis of ZnFe2O4/Fe2O3 composite via calcination at 600°C for 3 h in air. X-ray powder diffractometer (XRD) and Energy Dispersive Spectrometer (EDS) proved the nonstoichiometry of Zn ferrite synthesized by solvothermal method and the formation of ZnFe2O4/Fe2O3 composite via calcination. TEM image showed that non-Zn ferrite spheres with wormlike nanopore structure were made of primary nanocrystals. BET surface area of non-Zn ferrite was much higher than that of ZnFe2O4/Fe2O3 composite. Saturation magnetization of non-Zn ferrites was significantly higher than that of ZnFe2O4/Fe2O3 composites. Calcination of non-Zn ferrite resulted in the formation of large amount of non-magnetic Fe2O3,which caused a low magnetization of composite. Because of higher BET surface area and higher saturation magnetization, non-Zn ferrite presented better Cr6+ adsorption property than ZnFe2O4/Fe2O3 composites.

Reduction and Simultaneous Removal of 99 Tc and Cr by Fe(OH) 2 (s) Mineral Transformation

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

Saslow, Sarah A.; Um, Wooyong; Pearce, Carolyn I.

Technetium (Tc) remains a priority remediation concern due to persistent challenges, including rapid re-oxidation of immobilized Tc, and competing contaminants, e.g. Cr(VI), that inhibit targeted Tc reduction and incorporation into stable mineral phases. Here Fe(OH) 2(s) is investigated as a comprehensive solution for overcoming these challenges, by serving as both the reductant, (Fe(II)), and immobilization agent to form Tc-incorporated magnetite (Fe 3O 4). Trace metal analysis suggests removal of Tc(VII) and Cr(VI) from solution occurs simultaneously; however, complete removal and reduction of Cr(VI) is achieved earlier than the removal/reduction of co-mingled Tc(VII). Bulk oxidation state analysis of the magnetite solidmore » phase by XANES confirms that the majority of Tc is Tc(IV), which is corroborated by XPS. Furthermore, EXAFS results show successful Tc(IV) incorporation into magnetite octahedral sites without additional substitution of Cr or Tc into neighboring Fe octahedral sites. XPS analysis of Cr confirms reduction to Cr(III) and the formation of a Cr-incorporated spinel, Cr2O 3, and Cr(OH)3 phases. Spinel (modeled as Fe 3O 4), goethite, and feroxyhyte are detected in all reacted solid phase samples analyzed by XRD, where Tc(IV) incorporation has little effect on the spinel lattice structure. In the presence of Cr(III) a spinel phase along the magnetite-chromite (Fe 3O 4-FeCr 2O 4) solid-solution line is formed.« less

Advanced TEM characterization of oxide nanoparticles in ODS Fe–12Cr–5Al alloys

DOE PAGES

Unocic, Kinga A; Hoelzer, David T; Pint, Bruce A

2016-01-01

For oxide nanoparticles present in three oxide-dispersion-strengthened (ODS) Fe–12Cr–5Al alloys containing additions of (1) Y 2O 3 (125Y), (2) Y 2O 3 + ZrO 2 (125YZ), and (3) Y 2O 3 + HfO 2 (125YH), were investigated using transmission and scanning transmission electron microscopy. Furthermore, in all three alloys nano-sized (<3.5 nm) oxide particles distributed uniformly throughout the microstructure were characterized using advanced electron microscopy techniques. In the 125Y alloy, mainly Al 2O 3 and yttrium–aluminum garnet (YAG) phases (Y 3Al 5O 12) were present, while in the 125YZ alloy, additional Zr(C,N) precipitates were identified. The 125YH alloy had themore » most complex precipitation sequence whereby in addition to the YAG and Al 2O 3 phases, Hf(C,N), Y 2Hf 2O 7, and HfO 2 precipitates were also found. The presence of HfO 2 was mainly due to the incomplete incorporation of HfO 2 powder during mechanical alloying of the 125YH alloy. The alloy having the highest total number density of the oxides, the smallest grain size, and the highest Vickers hardness was the 125YZ alloy indicating, that Y 2O 3 + ZrO 2 additions had the strongest effect on grain size and tensile properties. Finally, high-temperature mechanical testing will be addressed in the near future, while irradiation studies are underway to investigate the irradiation resistance of these new ODS FeCrAl alloys.« less

The role of yttrium and titanium during the development of ODS ferritic steels obtained through the STARS route: TEM and XAS study

NASA Astrophysics Data System (ADS)

Ordás, Nerea; Gil, Emma; Cintins, Arturs; de Castro, Vanessa; Leguey, Teresa; Iturriza, Iñigo; Purans, Juris; Anspoks, Andris; Kuzmin, Alexei; Kalinko, Alexandr

2018-06-01

Oxide Dispersion Strengthened Ferritic Steels (ODS FS) are candidate materials for structural components in future fusion reactors. Their high strength and creep resistance at elevated temperatures and their good resistance to neutron radiation damage is obtained through extremely fine microstructures containing a high density of nanometric precipitates, generally yttrium and titanium oxides. This work shows transmission electron microscopy (TEM) and extended X-ray absorption fine structure (EXAFS) characterization of Fe-14Cr-2W-0.3Ti-0.24Y ODS FS obtained by the STARS route (Surface Treatment of gas Atomized powder followed by Reactive Synthesis), an alternative method to obtain ODS alloys that avoids the mechanical alloying to introduce Y2O3 powder particles. In this route, FS powders already containing Ti and Y, precursors of the nanometric oxides, are obtained by gas atomization. Then, a metastable Cr- and Fe-rich oxide layer is formed on the surface of the powder particles. During consolidation by HIP at elevated temperatures, and post-HIP heat treatments above the HIP temperature, this oxide layer at Prior Particle Boundaries (PPBs) dissociates, the oxygen diffuses, and Y-Ti-O nano-oxides precipitate in the ferritic matrix. TEM characterization combined with XAFS and XANES analyses have proven to be suitable tools to follow the evolution of the nature of the different oxides present in the material during the whole processing route and select appropriate HIP and post-HIP parameters to promote profuse and fine Y-Ti-O nanometric precipitates.

High-pressure X-ray diffraction and Raman spectroscopy of CaFe2O4-type β-CaCr2O4

NASA Astrophysics Data System (ADS)

Zhai, Shuangmeng; Yin, Yuan; Shieh, Sean R.; Shan, Shuangming; Xue, Weihong; Wang, Ching-Pao; Yang, Ke; Higo, Yuji

2016-04-01

In situ high-pressure synchrotron X-ray diffraction and Raman spectroscopic studies of orthorhombic CaFe2O4-type β-CaCr2O4 chromite were carried out up to 16.2 and 32.0 GPa at room temperature using multi-anvil apparatus and diamond anvil cell, respectively. No phase transition was observed in this study. Fitting a third-order Birch-Murnaghan equation of state to the P-V data yields a zero-pressure volume of V 0 = 286.8(1) Å3, an isothermal bulk modulus of K 0 = 183(5) GPa and the first pressure derivative of isothermal bulk modulus K 0' = 4.1(8). Analyses of axial compressibilities show anisotropic elasticity for β-CaCr2O4 since the a-axis is more compressible than the b- and c-axis. Based on the obtained and previous results, the compressibility of several CaFe2O4-type phases was compared. The high-pressure Raman spectra of β-CaCr2O4 were analyzed to determine the pressure dependences and mode Grüneisen parameters of Raman-active bands. The thermal Grüneisen parameter of β-CaCr2O4 is determined to be 0.93(2), which is smaller than those of CaFe2O4-type CaAl2O4 and MgAl2O4.

Magnetism of CrO overlayers on Fe(001)bcc surface: first principles calculations

NASA Astrophysics Data System (ADS)

Félix-Medina, Raúl Enrique; Leyva-Lucero, Manuel Andrés; Meza-Aguilar, Salvador; Demangeat, Claude

2018-04-01

Riva et al. [Surf. Sci. 621, 55 (2014)] as well as Calloni et al. [J. Phys.: Condens. Matter 26, 445001 (2014)] have studied the oxydation of Cr films deposited on Fe(001)bcc through low-energy electron diffraction, Auger electron spectroscopy and scanning tunneling microscopy. In the present work we perform a density functional approach within Quantum Expresso code in order to study structural and magnetic properties of CrO overlayers on Fe(001)bcc. The calculations are performed using DFT+U. The investigated systems include O/Cr/Fe(001)bcc, Cr/O/Fe(001)bcc, Cr0.25O0.75/Fe(001)bcc, as well as the O coverage Ox/Cr/Fe(001)bcc (x = 0.25; 0.50). We have found that the ordered CrO overlayer presents an antiferromagnetic coupling between Cr and Fe atoms. The O atoms are located closer to the Fe atoms of the surface than the Cr atoms. The ground state of the systems O/Cr/Fe(001)bcc and Cr/O/Fe(001)bcc corresponds to the O/Cr/Fe(001)bcc system with a magnetic coupling c(2 × 2). The effect of the O monolayer on Cr/Fe(001)bcc changes the ground state from p(1 × 1) ↓ to c(2 × 2) and produces an enhancement of the magnetic moments. The Ox overlayer on Cr/Fe(001)bcc produces an enhancement of the Cr magnetic moments.

In situ synchrotron tensile investigations on 14YWT, MA957, and 9-Cr ODS alloys

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

Lin, Jun-Li; Mo, Kun; Yun, Di

2016-04-01

Advanced ODS alloys provide exceptional radiation tolerance and high-temperature mechanical properties when compared to traditional ferritic and ferritic/martensitic 9F/M) steels. Their remarkable properties result from ultrahigh density and ultrafine size of Y-Ti-O nanoclusters within the ferritic matrix. In this work, we applied a high-energy synchrotron radiation X-ray to study the deformation process of three advanced ODS materials including 14YWT, MA957, and 9-Cr ODS steel. Only the relatively large nanoparticles in the 9-Cr ODS were observed in the synchrotron X-ray diffraction. The nanoclusters in both 14YWT and MA957 were invisible in the measurement due to their non-stoichiometric nature. Due to themore » different sizes of nanoparticles and nanoclusters in the materials, the Orowan looping was considered to be the major strengthening mechanism in the 9-Cr ODS, while the dispersed-barrier-hardening is dominant strengthening mechanism in both 14YWT and MA957, This analysis was inferred from the different build-up rates of dislocation density when plastic deformation was initiated. Finally, the dislocation densities interpreted from the X-ray measurements were successfully modeled using the Bergstrom's dislocation models. (C) 2016 Elsevier B.V. All rights reserved.« less

Effects of complexing agents on electrochemical deposition of FeS x O y in ZnO/FeS x O y heterostructures

NASA Astrophysics Data System (ADS)

Supee, A.; Ichimura, M.

2017-12-01

Heterostructures which consist of ZnO and FeS x O y were deposited via electrochemical deposition (ECD) for application to solar cells. Galvanostatic ECD was used in FeS x O y deposition with a solution containing 100 mM Na2S2O3 and 30 mM FeSO4. To alter the film properties, L(+)-tartaric acid (C4H6O6) and lactic acid [CH3CH(OH)COOH] were introduced as the complexing agents into the FeS x O y deposition solution. Larger film thickness and smaller oxygen content were obtained for the films deposited with the complexing agents. ZnO was deposited on FeS x O y by two-step pulse ECD from a solution containing Zn(NO3)2. For the ZnO/FeS x O y heterostructures fabricated with/without complexing agents, rectifying properties were confirmed in the current density-voltage ( J- V) characteristics. However, photovoltaic properties were not improved with addition of both complexing agents.

New series of triple molybdates AgA{sub 3}R(MoO{sub 4}){sub 5} (A=Mg, R=Cr, Fe; A=Mn, R=Al, Cr, Fe, Sc, In) with framework structures and mobile silver ion sublattices

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

Kotova, Irina Yu.; Buryat State University, Smolin St. 24a, Ulan-Ude 670000, Buryat Republic; Solodovnikov, Sergey F.

Triple molybdates AgA{sub 3}R(MoO{sub 4}){sub 5} (A=Mg, R=Cr, Fe; A=Mn, R=Al, Cr, Fe, Sc, In) of the NaMg{sub 3}In(MoO{sub 4}){sub 5} type were synthesized and single crystals of AgMg{sub 3}R(MoO{sub 4}){sub 5} (R=Cr, Fe) were grown. In their structures, the MoO{sub 4} tetrahedra, pairs and trimers of edge-shared (Mg, R)O{sub 6} octahedra are connected by common vertices to form a 3D framework. Large framework cavities involve Ag{sup +} cations disordered on three nearby positions with CN=3+1 or 4+1. Alternating (Mg, R)O{sub 6} octahedra and MoO{sub 4} tetrahedra in the framework form quadrangular windows penetrable for Ag{sup +} at elevated temperatures.more » Above 653–673 K, the newly obtained molybdates demonstrate abrupt reduction of the activation energy to 0.4–0.6 eV. At 773 K, AgMg{sub 3}Al(MoO{sub 4}){sub 5} shows electric conductivity 2.5·10{sup −2} S/cm and E{sub a}=0.39 eV compatible with characteristics of the best ionic conductors of the NASICON type. - Graphical abstract: Triple molybdates AgA{sub 3}R(MoO{sub 4}){sub 5} (A=Mg, R=Cr, Fe; A=Mn, R=Al, Cr, Fe, Sc, In) of the NaMg{sub 3}In(MoO{sub 4}){sub 5} type were synthesized, AgMg{sub 3}R(MoO{sub 4}){sub 5} (R=Cr, Fe) were structurally characterized, ion-conductive properties of AgMg{sub 3}Al(MoO{sub 4}){sub 5} were measured. Display Omitted - Highlights: • Triple molybdates AgA{sub 3}R(MoO{sub 4}){sub 5} (A=Mg, R=Cr, Fe; A=Mn, R=Al, Cr, Fe, Sc, In) of the NaMg{sub 3}In(MoO{sub 4}){sub 5} type were synthesized. • Single crystals of AgMg{sub 3}R(MoO{sub 4}){sub 5} (R=Cr, Fe) were grown and their crystal structures were determined. • Disordering Ag{sup +} ions and penetrable framework structures of AgMg{sub 3}R(MoO{sub 4}){sub 5} (R=Cr, Fe) suggest 2D-character of silver-ion mobility. • Measured ion-conductive properties of AgMg{sub 3}Al(MoO{sub 4}){sub 5} are compatible with characteristics of the best ionic conductors of the NASICON type.« less

Spin-phonon coupling and exchange interaction in Gd substituted YFe0.5Cr0.5O3

NASA Astrophysics Data System (ADS)

Singh, Karan; Sharma, Mohit K.; Mukherjee, K.

2018-02-01

We report the evolution of physical properties due to partial substitution of Gd on the Y site in a mixed metal oxide YFe0.5Cr0.5O3. This compound exhibits negative magnetization at low applied fields. Our investigations on Y1-xGdxFe0.5Cr0.5O3 (x = 0.0, 0.2, 0.4 and 0.6) compounds is carried out through magnetization and Raman spectroscopy studies. It is observed that even with 20% Gd substitution, the negative magnetization observed in YFe0.5Cr0.5O3 is suppressed. Due to magnetic rare earth ion Gd3+, additional exchange interaction of the form Gd-O-Fe/Cr dominates the magnetic interaction arising due to the transition metal ions. This results in positive magnetization in Gd-substituted compounds. Temperature dependent Raman spectroscopy along with magnetization studies revealed that the observed shifts of Raman mode is due to spin-phonon coupling. Hardening of Raman mode observed below 240 K in YFe0.5Cr0.5O3 weakens and softening of phonon modes was observed for Y0.4Gd0.6Fe0.5Cr0.5O3 compound. This implies that additional magnetic interactions due to Gd ions play a dominating role in dictating the behavior of the Gd-substituted compounds.

LaCrO3/CuFe2O4 Composite-Coated Crofer 22 APU Stainless Steel Interconnect of Solid Oxide Fuel Cells

NASA Astrophysics Data System (ADS)

Hosseini, Seyedeh Narjes; Enayati, Mohammad Hossein; Karimzadeh, Fathallah; Dayaghi, Amir Masoud

2017-07-01

Rapidly rising contact resistance and cathode Cr poisoning are the major problems associated with unavoidable chromia scale growth on ferritic stainless steel (FSS) interconnects of solid oxide fuel cells. This work investigates the performance of the novel screen-printed composite coatings consisting of dispersed conductive LaCrO3 particles in a CuFe2O4 spinel matrix for Crofer 22 APU FSS, with emphasis on the oxidation behavior and electrical conductivity of these coatings. The results show that the presence of protective spinel coating, accompanied by the effective role of LaCrO3 particle incorporation, prevents the Cr2O3 subscale growth as well as chromium migration into the coating surface at the end of 400 hours of oxidation at 1073 K (800 °C) in air. In addition, the composite coatings decreased the area specific resistance (ASR) from 51.7 and 13.8 mΩ cm2 for uncoated and spinel-coated samples, respectively, to a maximum of 7.7 mΩ cm2 for composite-coated samples after 400 hours of oxidation.

Cr(VI) reduction and immobilization by novel carbonaceous modified magnetic Fe3O4/halloysite nanohybrid.

PubMed

Tian, Xike; Wang, Weiwei; Tian, Na; Zhou, Chaoxin; Yang, Chao; Komarneni, Sridhar

2016-05-15

In this work, a novel "Dumbbell-like" magnetic Fe3O4/Halloysite nanohybrid (Fe3O4/HNTs@C) with oxygen-containing organic group grafting on the surface of natural halloysite nanotubes (HNTs) and homogeneous Fe3O4 nanospheres selectively aggregating at the tips of modified halloysite nanotubes was successfully synthesized. XRD, TEM, IR spectroscopy, XPS and VSM were used to characterize this newly halloysite nanohybrid and its formation mechanism was discussed. Cr(VI) ions adsorption experiments showed that the Fe3O4/halloysite nanohybrid exhibited higher adsorption ability with a maximum adsorption capacity of 132 mg/L at 303K, which is about 100 times higher than that of unmodified halloysite nanotubes. More importantly, with the reduction of Fe3O4 and electron-donor effect of oxygen-containing organic groups, Cr(VI) ions were easily reduced into low toxicity Cr(III) and then adsorbed onto the surface of halloysite nanohybrid. In addition, appreciable magnetization was observed due to the aggregation of magnetite nanoparticles, which make adsorbent facility separated from aqueous solutions after Cr pollution adsorption. Copyright © 2016 Elsevier B.V. All rights reserved.

The Bi{sub 2}O{sub 3}–Fe{sub 2}O{sub 3}–Sb{sub 2}O{sub 5} system phase diagram refinement, Bi{sub 3}FeSb{sub 2}O{sub 11} structure peculiarities and magnetic properties

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

Egorysheva, A.V., E-mail: anna_egorysheva@rambler.ru; Ellert, O.G.; Gajtko, O.M.

2015-05-15

The refinement of the Bi{sub 2}O{sub 3}–Fe{sub 2}O{sub 3}–Sb{sub 2}O{sub 5} system phase diagram has been performed and the existence of the two ternary compounds has been confirmed. The first one with a pyrochlore-type structure (sp. gr. Fd 3-barm) exists in the wide solid solution region, (Bi{sub 2−x}Fe{sub x})Fe{sub 1+y}Sb{sub 1−y}O{sub 7±δ}, where x=0.1–0.4 and y=−0.13–0.11. The second one, Bi{sub 3}FeSb{sub 2}O{sub 11}, corresponds to the cubic KSbO{sub 3}-type structure (sp. gr. Pn 3-bar) with unit cell parameter a=9.51521(2) Å. The Rietveld structure refinement showed that this compound is characterized by disordered structure. The Bi{sub 3}FeSb{sub 2}O{sub 11} factor groupmore » analysis has been carried out and a Raman spectrum has been investigated. According to magnetization measurements performed at the temperature range 2–300 K it may be concluded that the Bi{sub 3}FeSb{sub 2}O{sub 11} magnetic properties can be substantially described as a superposition of strong short-range antiferromagnetic exchange interactions realizing inside the [(FeSb{sub 2})O{sub 9}] 3D-framework via different pathways. - Graphical abstract: The refinement of the Bi{sub 2}O{sub 3}–Fe{sub 2}O{sub 3}–Sb{sub 2}O{sub 5} system phase diagram has been performed and the existence of the solid solution with a pyrochlore-type structure (sp. gr. Fd 3-barm) and Bi{sub 3}FeSb{sub 2}O{sub 11}, correspond of the cubic KSbO{sub 3}-type structure (sp. gr. Pn 3-bar has been confirmed. The structure refinement, Raman spectroscopy as well as magnetic measurements data of Bi{sub 3}FeSb{sub 2}O{sub 11} are presented. - Highlights: • The Bi{sub 2}O{sub 3}–Fe{sub 2}O{sub 3}–Sb{sub 2}O{sub 5} system phase diagram refinement has been performed. • The Bi{sub 3}FeSb{sub 2}O{sub 11} existence along with pyrochlore structure compound is shown. • It was determined that the Bi{sub 3}FeSb{sub 2}O{sub 11} is of disordered cubic KSbO{sub 3}-type structure. • Factor group

Structural, thermal, and magnetic study of solvation processes in spin-crossover [Fe(bpp)(2)][Cr(L)(ox)(2)](2).nH(2)O complexes.

PubMed

Clemente-León, Miguel; Coronado, Eugenio; Giménez-López, M Carmen; Romero, Francisco M

2007-12-24

The influence of lattice water in the magnetic properties of spin-crossover [Fe(bpp)2]X2.nH2O salts [bpp = 2,6-bis(pyrazol-3-yl)pyridine] is well-documented. In most cases, it stabilizes the low-spin state compared to the anhydrous compound. In other cases, it is rather the contrary. Unraveling this mystery implies the study of the microscopic changes that accompany the loss of water. This might be difficult from an experimental point of view. Our strategy is to focus on some salts that undergo a nonreversible dehydration-hydration process without loss of crystallinity. By comparison of the structural and magnetic properties of original and rehydrated samples, several rules concerning the role of water at the microscopic level can be deduced. This paper reports on the crystal structure, thermal studies, and magnetic properties of [Fe(bpp)2][Cr(bpy)(ox)2]2.2H2O (1), [Fe(bpp)2][Cr(phen)(ox)2]2.0.5H2O.0.5MeOH (2), and [Fe(bpp)2][Cr(phen)(ox)2]2.5.5H2O.2.5MeOH (3). Salt 1 contains both high-spin (HS) and low-spin (LS) Fe2+ cations in a 1:1 ratio. Dehydration yields the anhydrous spin-crossover compound with T1/2 downward arrow = 353 K and T1/2 upward arrow = 369 K. Rehydration affords the dihydrate [Fe(bpp)2][Cr(bpy)(ox)2]2.2H2O (1r) with 100% HS Fe2+ sites. Salt 2 also contains both HS and LS Fe2+ cations in a 1:1 ratio. Dehydration yields the anhydrous spin-crossover compound with T1/2 downward arrow = 343 K and T1/2 upward arrow = 348 K. Rehydration affords [Fe(bpp)2][Cr(phen)(ox)2]2.0.5H2O (2r) with 72% Fe2+ sites in the LS configuration. The structural, magnetic, and thermal properties of these rehydrated compounds 1r and 2r are also discussed. Finally, 1 has been dehydrated and resolvated with MeOH to give [Fe(bpp)2][Cr(bpy)(ox)2]2.MeOH (1s) with 33% HS Fe2+ sites. The influence of the guest solvent in the Fe2+ spin state can anticipate the future applications of these compounds in solvent sensing.

The phases and magnetic properties of (Ti, Co), and Cr doped Zn 2Y-type hexagonal ferrite

NASA Astrophysics Data System (ADS)

Chang, Y. H.; Wang, C. C.; Chin, T. S.; Yen, F. S.

1988-04-01

The phases and magnetic properties of Y-type hexagonal ferrite, Ba 2Zn 2 (Ti, Co) yFe 12-2 yO 22 doped with two sets of ions, (Ti, Co) and Cr were studied. In (Ti, Co) - doped ferrites the second phase appears at y ⩾ 0.6, which is a spinel type with the formula of (Zn 1-ηCo η)(Fe 2-δCo δ)O 4. Two resonant peaks are observed in ESR studies at the fields of 1020 and 2430 Oe, respectively, at a frequency of 9.684 GHz. The linewidth increases with the addition of the dopants. In chromium doped ferrite, two phases are identified as the amount of chromium is up to 0.2: spinel type of Zn(Fe 2-ɛCr ɛ)O 4 and orthorhombic BaCr 2O 4. Although the amount of Cr used does not influence the resonant field of the unique peak of the derivative curves from ESR, it eventually enlarges the linewidth.

Viscosity of SiO2-"FeO"-Al2O3 System in Equilibrium with Metallic Fe

NASA Astrophysics Data System (ADS)

Chen, Mao; Raghunath, Sreekanth; Zhao, Baojun

2013-08-01

The present study delivered the measurements of viscosities in SiO2-"FeO"-Al2O3 system in equilibrium with metallic Fe. The rotational spindle technique was used in the measurements at the temperature range of 1473 K to 1773 K (1200 °C to 1500 °C). Molybdenum crucibles and spindles were employed in all measurements. The Fe saturation condition was maintained by an iron plate placed at the bottom of the crucible. The equilibrium compositions of the slags were measured by EPMA after the viscosity measurements. The effect of up to 20 mol. pct Al2O3 on the viscosity of the SiO2-"FeO" slag was investigated. The "charge compensation effect" of the Al2O3 and FeO association has been discussed. The modified quasi-chemical viscosity model has been optimized in the SiO2-"FeO"-Al2O3 system in equilibrium with metallic Fe to describe the viscosity measurements of the present study.

Fabrication of core-shell Fe{sub 3}O{sub 4}@MIL-100(Fe) magnetic microspheres for the removal of Cr(VI) in aqueous solution

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

Yang, Qingxiang, E-mail: qxyangzz@163.com; Zhao, Qianqian; Ren, ShuangShuang

Facile regeneration of an adsorbent is very important for commercial feasibility. One typical highly porous metal-organic framework (MOF) materials based on MIL-100(Fe) and magnetic iron oxide particles (denoted as MMCs) with diameter about of 350 nm were successfully synthesized. The growth of MIL-100(Fe) shell on the surface of Fe{sub 3}O{sub 4} was utilized precursor as crystal seed via in-situ step hydrothermal reaction. It is a simple way to obtain well organized core-shell MOF composites, compared to the step-by-step method. MMCs were firstly used to uptake of Cr(VI) anions in aqueous solution. Adsorption experiments were carried out in batch sorption mode investigatingmore » with the factors of contact time (0–1000 min), pH (from 2 to 12), dose of adsorbent (4–25 mg), and initial Cr(VI) concentration (range from 10 to 100 ppm). - Graphical abstract: One typical highly porous metal-organic framework (MOF) materials based on MIL-100(Fe) and magnetic iron oxide particles (denoted as MMCs) were successfully synthesized. Utilizing Fe{sub 3}O{sub 4} precursor as crystal seed to grow MIL-100(Fe) shell by in-situ step hydrothermal reaction. It is a simple way to obtain core-shell MOF composites. MMCs could effectively uptake of Cr(VI) anions in aqueous solution. - Highlights: • Fe{sub 3}O{sub 4}@MIL-100(Fe) composites with core-shell structure were successfully prepared through a simple method. • The influence factors on Cr(VI) adsorption by Fe{sub 3}O{sub 4}@MIL-100(Fe) were investigated. • Cr(VI) can efficiently adsorbed by Fe{sub 3}O{sub 4}@MIL-100(Fe) composites from aqueous solution.« less

Syntheses, crystal structures, and magnetic properties of the oxalato-bridged mixed-valence complexes (FeII(bpm)3]2[FeIII2(ox)5].8H2O and FeII(bpm)3Na(H2O)2Fe(ox)(3).4H2O (bpm = 2,2'-bipyrimidine).

PubMed

Armentano, D; De Munno, G; Faus, J; Lloret, F; Julve, M

2001-02-12

-N(bpm) bond lengths (2.548(7) and 2.677(7) A) are longer than those of Na-O(ox) (2.514(7) and 2.380(7) A) and Na-O(water) (2.334(15) and 2.356(12) A). The intramolecular Fe(II)...Fe(III) separation is 6.763(2) A, whereas the shortest intermolecular Fe(II)...Fe(II) and Fe(III)...Fe(III) distances are 8.152(2) and 8.992(2) A, respectively. Magnetic susceptibility measurements in the temperature range 2.0-290 K for 1 reveal that the high-spin iron(III) ions are antiferromagnetically coupled (J = -6.6 cm-1, the Hamiltonian being defined as H = -JS1.S2). The magnitude of the antiferromagnetic coupling through the bridging oxalato in the magneto-structurally characterized family of formula [M2(ox)5](2m-10)+ (M = Fe(III) (1), Cr(III), and Ni(II)) is analyzed and discussed by means of a simple orbital model.

High-Pressure Phase Relations and Crystal Structures of Postspinel Phases in MgV2O4, FeV2O4, and MnCr2O4: Crystal Chemistry of AB2O4 Postspinel Compounds.

PubMed

Ishii, Takayuki; Sakai, Tsubasa; Kojitani, Hiroshi; Mori, Daisuke; Inaguma, Yoshiyuki; Matsushita, Yoshitaka; Yamaura, Kazunari; Akaogi, Masaki

2018-06-04

We have investigated high-pressure, high-temperature phase transitions of spinel (Sp)-type MgV 2 O 4 , FeV 2 O 4 , and MnCr 2 O 4 . At 1200-1800 °C, MgV 2 O 4 Sp decomposes at 4-7 GPa into a phase assemblage of MgO periclase + corundum (Cor)-type V 2 O 3 , and they react at 10-15 GPa to form a phase with a calcium titanite (CT)-type structure. FeV 2 O 4 Sp transforms to CT-type FeV 2 O 4 at 12 GPa via decomposition phases of FeO wüstite + Cor-type V 2 O 3 . MnCr 2 O 4 Sp directly transforms to the calcium ferrite (CF)-structured phase at 10 GPa and 1000-1400 °C. Rietveld refinements of CT-type MgV 2 O 4 and FeV 2 O 4 and CF-type MnCr 2 O 4 confirm that both the CT- and CF-type structures have frameworks formed by double chains of edge-shared B 3+ O 6 octahedra (B 3+ = V 3+ and Cr 3+ ) running parallel to one of orthorhombic cell axes. A relatively large A 2+ cation (A 2+ = Mg 2+ , Fe 2+ , and Mn 2+ ) occupies a tunnel-shaped space formed by corner-sharing of four double chains. Effective coordination numbers calculated from eight neighboring oxygen-A 2+ cation distances of CT-type MgV 2 O 4 and FeV 2 O 4 and CF-type MnCr 2 O 4 are 5.50, 5.16, and 7.52, respectively. This implies that the CT- and CF-type structures practically have trigonal prism (six-coordinated) and bicapped trigonal prism (eight-coordinated) sites for the A 2+ cations, respectively. A relationship between cation sizes of VIII A 2+ and VI B 3+ and crystal structures (CF- and CT-types) of A 2+ B 2 3+ O 4 is discussed using the above new data and available previous data of the postspinel phases. We found that CF-type A 2+ B 2 3+ O 4 crystallize in wide ionic radius ranges of 0.9-1.4 Å for VIII A 2+ and 0.55-1.1 Å for VI B 3+ , whereas CT-type phases crystallize in very narrow ionic radius ranges of ∼0.9 Å for VIII A 2+ and 0.6-0.65 Å for VI B 3+ . This would be attributed to the fact that the tunnel space of CT-type structure is geometrically less flexible due to the smaller coordination

Interaction mechanisms between α-Fe2O3, γ-Fe2O3 and Fe3O4 nanoparticles and Citrus maxima seedlings.

PubMed

Li, Junli; Hu, Jing; Xiao, Lian; Wang, Yunqiang; Wang, Xilong

2018-06-01

The interactions between α-Fe 2 O 3 , γ-Fe 2 O 3 , and Fe 3 O 4 nanoparticles (NPs) and Citrus maxima seedlings were examined so as to better understand possible particle applications as an Fe source for crop plants. NPs toxicity to the exposed plant was investigated as well. The α- and γ-Fe 2 O 3 NPs were accumulated by plant root cells through diapirism and endocytosis, respectively, but translocation to the shoots was negligible. Analysis of malondialdehyde (MDA), soluble protein content, and antioxidant enzyme activity revealed that Fe deficiency induced strong oxidative stress in Citrus maxima seedlings, which followed an order of Fe deficiency>Fe 3+ >α-Fe 2 O 3 , γ-Fe 2 O 3 NPs>Fe 3 O 4 NPs. However, the chlorophyll leaf content of plants exposed to α-Fe 2 O 3 , γ-Fe 2 O 3 , Fe 3 O 4 NPs and Fe 3+ were significantly reduced by 31.1%, 14.8%, 18.8% and 22.0%, respectively, relative to the control. Furthermore, RT-PCR analysis revealed no up-regulation of AHA and Nramp3 genes in Citrus maxima roots; however, the relative FRO2 gene expression upon exposure to iron oxide NPs was 1.4-2.8-fold higher than the control. Ferric reductase activity was consistently enhanced upon iron oxide NPs exposure. These findings advance understanding of the interaction mechanisms between metal oxide NPs and plants, and provide important knowledge need for the possible application of these materials in agriculture. Copyright © 2017 Elsevier B.V. All rights reserved.

A new set of K3Fe3(PO4)4·yH2O (0 ≤ y ≤ 1) layered phases obtained by topotactic reactions

NASA Astrophysics Data System (ADS)

Trad, Khiem; Wattiaux, Alain; Ben Amara, Mongi; Delmas, Claude; Carlier, Dany

2018-06-01

K3Fe3(PO4)4·H2O powder was synthesized by Na+/K+ exchange reaction from Na3Fe3(PO4)4 in aqueous medium. The replacement of the sodium cations by the potassium larger ones and water molecules causes a structural distortion leading to P2/n monoclinic K3Fe3(PO4)4·H2O. This new layered phase was characterized by XRD, Mössbauer spectroscopy and magnetic measurements. The study of its thermal stability reveals that other new layered K3Fe3(PO4)4·yH2O with (0 ≤ y ≤ 1) phases can be stabilized up to 600 °C and finally at higher temperature a new K3Fe3(PO4)4 polymorph with a different structural type is irreversibility formed.

Magnetic properties of TM3[Cr(CN)6]2.n H2O

NASA Astrophysics Data System (ADS)

Zentková, M.; Mihalik, M.; Ková, J.; Zentko, A.; Mitróová, Z.; Lukáová, M.; Kaveanský, V.; Kiss, L. F.

2006-01-01

Magnetization measurements performed on Prussian blue analogs TM2+3[CrIII(CN)6]2.n H2O (TM = Cr, Mn, Fe, Co, Ni, Cu) confirmed the dual character of the exchange interaction (antiferromagnetic AFM and ferromagnetic FM) in this system. AFM interaction dominates for the Cr2+ sample and with rising atomic number Z the FM interaction becomes more important reaching pure FM character for the Cu2+ sample.

Anneal-Hardening Behavior of Cr-Fe-C Alloy Deposits Prepared in a Cr3+-Based Bath with Fe2+ Ions

PubMed Central

Huang, Ching An; Chen, Jhih You; Wang, Hai

2017-01-01

Cr-Fe-C alloy deposits were successfully prepared on high-carbon tool steel in a Cr3+-based electroplating bath containing Fe2+ ions and suitable complex agents. A Cr-based alloy deposit was obtained with an electroplating current density higher than 25 Adm−2, and a Fe-based alloy deposit was obtained using a current density of 20 Adm−2. Following electroplating, these alloy deposited specimens were annealed via rapid thermal annealing (RTA) at 500 °C for different periods up to 30 s. The experimental results show that Cr- and Fe-based alloy deposits could be significantly hardened after RTA at 500 °C for a few seconds. The maximum hardness was that of the Cr-Fe-C alloy deposit annealed at 500 °C for 10 s. The maximum hardness of 1205 Hv was detected from the annealed Cr-based alloy deposit prepared with 30 ASD. The hardening mechanism of annealed Cr- and Fe-based alloy deposits is attributed to the precipitation of C-related membranes. The hardness values of the annealed Cr- and Fe-based alloy deposits increase with the increasing degree of crystallization of the C-related membranes. PMID:29206206

Magnetically Separable MoS2/Fe3O4/nZVI Nanocomposites for the Treatment of Wastewater Containing Cr(VI) and 4-Chlorophenol

PubMed Central

Wang, Jingkang; Wang, Ting

2017-01-01

With a large specific surface area, high reactivity, and excellent adsorption properties, nano zerovalent iron (nZVI) can degrade a wide variety of contaminants in wastewater. However, aggregation, oxidation, and separation issues greatly impede its wide application. In this study, MoS2/Fe3O4/nZVI nanocomposites were successfully synthesized by a facile step-by-step approach to overcome these problems. MoS2 nanosheets (MNs) acted as an efficient support for nZVI and enriched the organic pollutants nearby, leading to an enhanced removal efficiency. Fe3O4 nanoparticles (NPs) could not only suppress the agglomeration and restacking of MNs, but also facilitate easy separation and recovery of the nanocomposites. The synergistic effect between MNs and Fe3O4 NPs effectively enhanced the reactivity and efficiency of nZVI. In the system, Cr(VI) was reduced to Cr(III) by nZVI in the nanocomposites, and Fe2+ produced in the process was combined with H2O2 to further remove 4-Chlorophenol (4-CP) through a Fenton reaction. Furthermore, the nanocomposites could be easily separated from wastewater by a magnet and be reused for at least five consecutive runs, revealing good reusability. The results demonstrate that the novel nanocomposites are highly efficient and promising for the simultaneous removal of Cr(VI) and 4-CP in wastewater. PMID:28973986

Effect of Cr2O3 addition on the oxidation induration mechanism of Hongge vanadium titanomagnetite pellets

NASA Astrophysics Data System (ADS)

Li, Wei; Wang, Nan; Fu, Gui-qin; Chu, Man-sheng; Zhu, Miao-yong

2018-04-01

As part of a research project to develop a novel clean smelting process for the comprehensive utilization of Hongge vanadium titanomagnetite (HVTM), in this study, the effect of Cr2O3 addition on the oxidation induration mechanism of HVTM pellets (HVTMPs) was investigated in detail. The results showed that the compressive strength of the HVTMPs was greatly weakened by the Cr2O3 addition, mainly because of a substantial increase in the porosity of the HVTMPs. The Cr2O3 addition marginally affected the phase composition but greatly affected the microstructural changes of the HVTMPs. Increased amounts of Cr2O3 resulted in a decrease in the uniform distribution of the hematite grains and in an increase in the Fe-Cr solid solutions (Fe1.2Cr0.8O3 and Fe0.7Cr1.3O3) embedded in the hematite grains. Moreover, the compact hematite was destroyed by forming a dispersed structure and the hematite recrystallization was hindered during the oxidation induration, which adversely affected the compressive strength. On the basis of these results, a schematic was formulated to describe the oxidation induration mechanism with different amounts of added Cr2O3. This study provides theoretical and technical foundations for the effective production of HVTMPs and a reference for chromium-bearing minerals.

Oxalato-bridged dinuclear complexes of Cr(III) and Fe(III): synthesis, structure, and magnetism of [(C2H5)4N]4[MM'(ox)(NCS)8] with MM' = CrCr, FeFe, and CrFe.

PubMed

Triki, S; Bérézovsky, F; Sala Pala, J; Coronado, E; Gómez-García, C J; Clemente, J M; Riou, A; Molinié, P

2000-08-21

A new series of homo- and heterometallic oxalato-bridged dinuclear compounds of formulas [Et4N]4[MM'(ox)(NCS)8] ([Et4N]+ = [(C2H5)4N]+; ox = C2O4(2-)) with MM' = Cr(III)-Cr(III) (1), Fe(III)-Fe(III) (2), and Cr(III)-Fe(III) (3) is reported. They have been structurally characterized by infrared spectra and single-crystal X-ray diffraction. The three compounds are isostructural and crystallize in the orthorhombic space group Cmca with Z = 8, a = 16.561(8) A, b = 13.481(7) A, and c = 28.168(8) A for 1, a = 16.515(2) A, b = 13.531(1) A, and c = 28.289(4) A for 2, a = 16.664(7) A, b = 13.575(6) A, and c = 28.386(8) A for 3. The structure of 3 is made up of a discrete dinuclear anion [CrFe(ox)(NCS)8]4- and four disordered [Et4N]+ cations, each of them located on special positions. The anion, in a crystallographically imposed C2h symmetry, contains metal cations in distorted octahedral sites. The Cr(ox)Fe group, which is planar within 0.02 A, presents an intramolecular metal-metal distance of 5.43 A. Magnetic susceptibility measurements indicate antiferromagnetic pairwise interactions for 1 and 2 with J = -3.23 and -3.84 cm-1, respectively, and ferromagnetic Cr-Fe coupling with J = 1.10 cm-1 for 3 (J being the parameter of the exchange Hamiltonian H = -2JS1S2). The ESR spectra at different temperatures confirm the magnetic susceptibility data.

Nanosized As2O3/Fe2O3 complexes combined with magnetic fluid hyperthermia selectively target liver cancer cells.

PubMed

Wang, Zi-Yu; Song, Jian; Zhang, Dong-Sheng

2009-06-28

To study the methods of preparing the magnetic nano-microspheres of Fe(2)O(3) and As(2)O(3)/Fe(2)O(3) complexes and their therapeutic effects with magnetic fluid hyperthermia (MFH). Nanospheres were prepared by chemical co-precipitation and their shape and diameter were observed. Hemolysis, micronucleus, cell viability, and LD(50) along with other in vivo tests were performed to evaluate the Fe(2)O(3) microsphere biocompatibility. The inhibition ratio of tumors after Fe(2)O(3) and As(2)O(3)/Fe(2)O(3) injections combined with induced hyperthermia in xenograft human hepatocarcinoma was calculated. Fe(2)O(3) and As(2)O(3)/Fe(2)O(3) particles were round with an average diameter of 20 nm and 100 nm as observed under transmission electron microscope. Upon exposure to an alternating magnetic field (AMF), the temperature of the suspension of magnetic particles increased to 41-51 degrees C, depending on different particle concentrations, and remained stable thereafter. Nanosized Fe(2)O(3) microspheres are a new kind of biomaterial without cytotoxic effects. The LD(50) of both Fe(2)O(3) and As(2)O(3)/Fe(2)O(3) in mice was higher than 5 g/kg. One to four weeks after Fe(2)O(3) and As(2)O(3)/Fe(2)O(3) complex injections into healthy pig livers, no significant differences were found in serum AST, ALT, BUN and Cr levels among the pigs of all groups (P > 0.05), and no obvious pathological alterations were observed. After exposure to alternating magnetic fields, the inhibition ratio of the tumors was significantly different from controls in the Fe(2)O(3) and As(2)O(3)/Fe(2)O(3) groups (68.74% and 82.79%, respectively; P < 0.01). Tumors of mice in treatment groups showed obvious necrosis, while normal tissues adjoining the tumor and internal organs did not. Fe(2)O(3) and As(2)O(3)/Fe(2)O(3) complexes exerted radiofrequency-induced hyperthermia and drug toxicity on tumors without any liver or kidney damage. Therefore, nanospheres are ideal carriers for tumor-targeted therapy.

At last! The single-crystal X-ray structure of a naturally occurring sample of the ilmenite-type oxide FeCrO3.

PubMed

Pérez-Cruz, María Ana; Elizalde-González, María de la Paz; Escudero, Roberto; Bernès, Sylvain; Silva-González, Rutilo; Reyes-Ortega, Yasmi

2015-10-01

A natural single crystal of the ferrimagnetic oxide FeCrO3, which was found in an opencast mine situated in the San Luis Potosí State in Mexico, has been characterized in order to elucidate some outstanding issues about the actual structure of this material. The single-crystal X-ray analysis unambiguously shows that transition metal cations are segregated in alternating layers normal to the threefold crystallographic axis, affording a structure isomorphous to that of ilmenite (FeTiO3), in the space group R3̅. The possible occurrence of cation antisite and vacancy defects is below the limit of detection available from X-ray data. Structural and magnetic results are in agreement with the coherent slow intergrowth of magnetic phases provided by the two antiferromagnetic corundum-type parent oxides Fe2O3 (hematite) and Cr2O3 (eskolaite). Our results are consistent with the most recent density functional theory (DFT) studies carried out on digital FeCrO3 [Sadat Nabi & Pentcheva (2011). Phys. Rev. B, 83, 214424], and suggest that synthetic samples of FeCrO3 might present a cation distribution different to that of the ilmenite structural type.

Synthesis and Luminescence Characteristics of Cr 3+ doped Y 3Al 5O 12 Phosphors

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

Smith, Brenda A.; Dabestani, Reza T.; Lewis, Linda A.

2015-10-01

Luminescence performance of yttrium aluminum garnet (Y 3Al 5O 12) phosphors as a function of Cr 3+ concentration has been investigated via two different wet-chemical synthesis techniques, direct- (DP) and hydrothermal-precipitation (HP). Using either of these methods, the red-emitting phosphor [Y 3Al 5-xCr xO 12 (YAG: Cr 3+)] showed similar photoluminescence (PL) intensities once the dopant concentration was optimized. Specifically, the YAG: Cr 3+ PL emission intensity reached a maximum at Cr3+ concentrations of x = 0.02 (0.4 at.%) and x = 0.13 (2.6 at.%) for DP and HP processed samples, respectively. The results indicated the strong influence of themore » processing method on the optimized YAG: Cr 3+ performance, where a more effective energy transfer rate between a pair of Cr3+ activators at low concentration levels was observed by using the DP synthesis technique. Development of a highly efficient phosphor, using a facile synthesis approach, could significantly benefit consumer and industrial applications by improving the operational efficiency of a wide range of practical devices.« less

High-pressure synthesis, crystal structure and magnetic properties of TlCrO3 perovskite.

PubMed

Yi, Wei; Matsushita, Yoshitaka; Katsuya, Yoshio; Yamaura, Kazunari; Tsujimoto, Yoshihiro; Presniakov, Igor A; Sobolev, Alexey V; Glazkova, Yana S; Lekina, Yuliya O; Tsujii, Naohito; Nimori, Shigeki; Takehana, Kanji; Imanaka, Yasutaka; Belik, Alexei A

2015-06-21

TlMO(3) perovskites (M(3+) = transition metals) are exceptional members of trivalent perovskite families because of the strong covalency of Tl(3+)-O bonds. Here we report on the synthesis, crystal structure and properties of TlCrO(3) investigated by Mössbauer spectroscopy, specific heat, dc/ac magnetization and dielectric measurements. TlCrO(3) perovskite is prepared under high pressure (6 GPa) and high temperature (1500 K) conditions. The crystal structure of TlCrO(3) is refined using synchrotron X-ray powder diffraction data: space group Pnma (no. 62), Z = 4 and lattice parameters a = 5.40318(1) Å, b = 7.64699(1) Å and c = 5.30196(1) Å at 293 K. No structural phase transitions are found between 5 and 300 K. TlCrO(3) crystallizes in the GdFeO(3)-type structure similar to other members of the perovskite chromite family, ACrO(3) (A(3+) = Sc, In, Y and La-Lu). The unit cell volume and Cr-O-Cr bond angles of TlCrO(3) are close to those of DyCrO(3); however, the Néel temperature of TlCrO(3) (TN≈ 89 K) is much smaller than that of DyCrO(3) and close to that of InCrO(3). Isothermal magnetization studies show that TlCrO(3) is a fully compensated antiferromagnet similar to ScCrO(3) and InCrO(3), but different from RCrO(3) (R(3+) = Y and La-Lu). Ac and dc magnetization measurements with a fine step of 0.2 K reveal the existence of two Néel temperatures with very close values at T(N2) = 87.0 K and T(N1) = 89.3 K. Magnetic anomalies near T(N2 )are suppressed by static magnetic fields and by 5% iron doping.

Synthesis of quenchable high-pressure form of magnetite (h-Fe3O4) with composition [4](Fe0.732+ Mg0.26)[6](Fe0.713+ Cr0.14Al0.10 Si0.04)2O4

NASA Astrophysics Data System (ADS)

Koch-Müller, Monika; Mugnaioli, Enrico; Rhede, Dieter; Speziale, Sergio; Kolb, Ute; Wirth, Richard

2014-05-01

Cubic inverse-spinel magnetite transforms under pressure to orthorhombic normal-spinel magnetite, h-Fe3O4 ( e.g. Fei et al. 1999; Bengtson et al. 2013). The pressure at which the transition takes place is still controversial. The high-pressure form is reported to be not quenchable to ambient conditions. We report the synthesis of h-magnetite which incorporates considerable amounts of additional cations (Cr, Mg, Al, Si) and is quenchable to ambient conditions. Two experiments were performed at 18 GPa and 1800 ° C in a multi-anvil press. The run products were investigated by electron microprobe, transmission electron microscopy and electron diffraction tomography. We observed the formation of h-magnetite in both experiments. In experiment MA-367 we used an oxide mixture with a majoritic stoichiometry Mg1.8Fe1.2(Al1.4 Cr0.2Si0.2Mg0.2)Si3O12 as starting material, with Si and Mg in excess. The Fe-oxide phase forms elongated aggregates 10-30 μm in length, mutually intergrown with majorite, the latter being the main phase of the run products coexisting with small amounts of stishovite. The formula for h-magnetite in run MA-367 was calculated as [4](Fe0.732+ Mg0.26)[6](Fe0.713+ Cr0.14Al0.10 Si0.04)2O4. In the second experiment (MA-376) we used an oxide mixture corresponding to the composition of h-magnetite obtained in MA-367. In this experiment the main phase was h-magnetite with composition [4](Fe0.982+)[6](Fe0.683+ Cr0.17Al0.13 Si0.02)2O4coexisting with very small amounts of wadsleyite. Interestingly no magnesium was incorporated into the Fe-oxide in this experiment compared to MA-367 and no iron was found in the coexisting wadsleyite. For the first time it was possible to perform electron diffraction on recovered h-magnetite of both experiments and we observed that -at least in our case- the h-magnetite structure can better be described in space group Amam than in space group Bbmm as previously proposed. The substitution of Fe by Cr, Mg, Al and Si, all smaller in

Thermodynamic analysis of chemical compatibility of several compounds with Fe-Cr-Al alloys

NASA Technical Reports Server (NTRS)

Misra, Ajay K.

1993-01-01

Chemical compatibility between Fe-19.8Cr-4.8Al (weight percent), which is the base composition for the commercial superalloy MA956, and several carbides, borides, nitrides, oxides, and silicides was analyzed from thermodynamic considerations. The effect of addition of minor alloying elements, such as Ti, Y, and Y2O3, to the Fe-Cr-Al alloy on chemical compatibility between the alloy and various compounds was also analyzed. Several chemically compatible compounds that can be potential reinforcement materials and/or interface coating materials for Fe-Cr-Al based composites were identified.

Synthesis, structure and electrochemistry of LiMn 2- yCr y/2 Cu y/2 O 4 (0.0⩽ y⩽0.5) prepared by wet chemistry

NASA Astrophysics Data System (ADS)

Julien, C.; Ruth Mangani, I.; Selladurai, S.; Massot, M.

2002-08-01

The LiMn 2O 4 co-doped with copper and chromium forming LiMn 2- yCr y/2 Cu y/2 O 4 spinel phases have been synthesized by wet chemistry technique using an aqueous solution of metal acetates and dicarboxylic acid (succinic acid) as a complexing agent. The structural properties of the synthesized products have been investigated by X-ray powder diffraction, Raman scattering, and Fourier-transform infrared spectroscopy. To improve the rechargeable capacity of Li//LiMn 2- yCr y/2 Cu y/2 O 4 cells, the electrochemical features of LiMn 2- yCr y/2 Cu y/2 O 4 compounds have been evaluated as positive electrode materials. The structural properties of these oxides are very similar to LiMn 2O 4, their electrochemical performances show that the capacity is maintained 95% of the initial value at the 36th cycle for y=0.1, this being explained by the change of Mn 3+/Mn 4+ ratio in doped phases.

Annealing Behavior of 57Fe Implanted in ZrO2(Y)

NASA Astrophysics Data System (ADS)

Zhang, G. L.; Yu, F. H.; Weng, H. M.; Zhang, H. H.

1998-12-01

Using conversion electron Mossbauer spectroscopy(CEMS) and slow positron beam, the chemical states of the implanted 57Fe (100KeV,3 × 10 16 ions/cm 2) in ZrO2 containing 3 mol% Y 2O 3( ZY 3) and its thermodynamic behavior during annealing process with the temperature from 200 to 500°C were studied. After annealing at 400°C the complex of Fe3+-V has been mostly dissolved, and the prior phase to α-Fe and α-Fe nano-crystalline cluster were present in the sample. Meanwhile the mixed conducting of oxygen-ions and electrons in the ZY3 containing Fe sample appeared.

Removal of nitrate and phosphate using chitosan/Al2O3/Fe3O4 composite nanofibrous adsorbent: Comparison with chitosan/Al2O3/Fe3O4 beads.

PubMed

Bozorgpour, Farahnaz; Ramandi, Hossein Fasih; Jafari, Pooya; Samadi, Saman; Yazd, Shabnam Sharif; Aliabadi, Majid

2016-12-01

In the present study the chitosan/Al 2 O 3 /Fe 3 O 4 composite nanofibrous adsorbent was prepared by electrospinning process and its application for the removal of nitrate and phosphate were compared with chitosan/Al 2 O 3 /Fe 3 O 4 composite bead adsorbent. The influence of Al 2 O 3 /Fe 3 O 4 composite content, pH, contact time, nitrate and phosphate initial concentrations and temperature on the nitrate and phosphate sorption using synthesized bead and nanofibrous adsorbents was investigated in a single system. The reusability of chitosan/Al 2 O 3 /Fe 3 O 4 composite beads and nanofibers after five sorption-desorption cycles were carried out. The Box-Behnken design was used to investigate the interaction effects of adsorbent dosage, nitrate and phosphate initial concentrations on the nitrate and phosphate removal efficiency. The pseudo-second-order kinetic model and known Freundlich and Langmuir isotherm models were used to describe the kinetic and equilibrium data of nitrate and phosphate sorption using chitosan/Al 2 O 3 /Fe 3 O 4 composite beads and nanofibers. The influence of other anions including chloride, fluoride and sulphate on the sorption efficiency of nitrate and phosphate was examined. The obtained results revealed the higher potential of chitosan/Al 2 O 3 /Fe 3 O 4 composite nanofibers for nitrate and phosphate compared with chitosan/Al 2 O 3 /Fe 3 O 4 composite beads. Copyright © 2016 Elsevier B.V. All rights reserved.

Study of the photocatalytic activity of Fe 3+, Cr 3+, La 3+ and Eu 3+ single-doped and co-doped TiO 2 catalysts produced by aqueous sol-gel processing

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

Malengreaux, Charline M.; Pirard, Sophie L.; Léonard, Géraldine

An aqueous sol-gel process, previously developed for producing undoped and Cu 2+, Ni 2+, Zn 2+ or Pb 2+ doped TiO 2 photocatalysts with remarkably high photocatalytic activity without requiring any calcination step, has been adapted to produce Fe 3+, Cr 3+, La 3+ or Eu 3+ single-doped TiO 2 photocatalysts as well as La3+-Fe3+ and Eu3+-Fe3+ co-doped TiO 2 catalysts. The physicochemical properties of the obtained catalysts have been characterized using a suite of complementary techniques, including ICP-AES, XRD, UV-Vis spectroscopy, nitrogen adsorption-desorption and Fe-57 M ssbauer. The active crystalline phase is obtained without requiring any calcination step andmore » all the different catalysts are composed of nanocrystallites of anatase with a size of 6-7 nm and a high specific surface area varying from 181 to 298 m 2 g -1. In this study, the effect of the NO 3:Ti(IV) mole ratio used to induce the peptisation reaction during the synthesis has been studied and the results revealed that this ratio can influence significantly the textural properties of the resulting catalyst. A screening of the photocatalytic activity of the undoped and Fe 3+, Cr 3+, La 3+ or Eu 3+ single-doped and co-doped photocatalysts has been performed by evaluating the degradation of 4-nitrophenol under UV-Visible light (330 nm < < 800 nm). This study suggests that the photocatalytic activity is significantly influenced by the dopant nature and content with an optimal dopant content being observed in the case of Fe 3+ or La 3+ single-doped as well as in the case of La 3+-Fe 3+ and Eu 3+-Fe 3+ co-doped catalysts. In the case of Cr 3+ single-doped catalysts, a detrimental effect of the dopant on the photocatalytic degradation of 4-nitrophenol has been observed while no significant influence of the dopant has been detected in the case of Eu 3+ single-doped catalysts. In conclusion, the role of the different dopants in modulating the photocatalytic activity is discussed.« less

Study of the photocatalytic activity of Fe 3+, Cr 3+, La 3+ and Eu 3+ single-doped and co-doped TiO 2 catalysts produced by aqueous sol-gel processing

DOE PAGES

Malengreaux, Charline M.; Pirard, Sophie L.; Léonard, Géraldine; ...

2016-08-30

An aqueous sol-gel process, previously developed for producing undoped and Cu 2+, Ni 2+, Zn 2+ or Pb 2+ doped TiO 2 photocatalysts with remarkably high photocatalytic activity without requiring any calcination step, has been adapted to produce Fe 3+, Cr 3+, La 3+ or Eu 3+ single-doped TiO 2 photocatalysts as well as La3+-Fe3+ and Eu3+-Fe3+ co-doped TiO 2 catalysts. The physicochemical properties of the obtained catalysts have been characterized using a suite of complementary techniques, including ICP-AES, XRD, UV-Vis spectroscopy, nitrogen adsorption-desorption and Fe-57 M ssbauer. The active crystalline phase is obtained without requiring any calcination step andmore » all the different catalysts are composed of nanocrystallites of anatase with a size of 6-7 nm and a high specific surface area varying from 181 to 298 m 2 g -1. In this study, the effect of the NO 3:Ti(IV) mole ratio used to induce the peptisation reaction during the synthesis has been studied and the results revealed that this ratio can influence significantly the textural properties of the resulting catalyst. A screening of the photocatalytic activity of the undoped and Fe 3+, Cr 3+, La 3+ or Eu 3+ single-doped and co-doped photocatalysts has been performed by evaluating the degradation of 4-nitrophenol under UV-Visible light (330 nm < < 800 nm). This study suggests that the photocatalytic activity is significantly influenced by the dopant nature and content with an optimal dopant content being observed in the case of Fe 3+ or La 3+ single-doped as well as in the case of La 3+-Fe 3+ and Eu 3+-Fe 3+ co-doped catalysts. In the case of Cr 3+ single-doped catalysts, a detrimental effect of the dopant on the photocatalytic degradation of 4-nitrophenol has been observed while no significant influence of the dopant has been detected in the case of Eu 3+ single-doped catalysts. In conclusion, the role of the different dopants in modulating the photocatalytic activity is discussed.« less

Evaluation of Microstructure and Mechanical Properties of Nano-Y2O3-Dispersed Ferritic Alloy Synthesized by Mechanical Alloying and Consolidated by High-Pressure Sintering

NASA Astrophysics Data System (ADS)

Karak, Swapan Kumar; Dutta Majumdar, J.; Witczak, Zbigniew; Lojkowski, Witold; Ciupiński, Łukasz; Kurzydłowski, K. J.; Manna, Indranil

2013-06-01

In this study, an attempt has been made to synthesize 1.0 wt pct nano-Y2O3-dispersed ferritic alloys with nominal compositions: 83.0 Fe-13.5 Cr-2.0 Al-0.5 Ti (alloy A), 79.0 Fe-17.5 Cr-2.0 Al-0.5 Ti (alloy B), 75.0 Fe-21.5 Cr-2.0 Al-0.5 Ti (alloy C), and 71.0 Fe-25.5 Cr-2.0 Al-0.5 Ti (alloy D) steels (all in wt pct) by solid-state mechanical alloying route and consolidation the milled powder by high-pressure sintering at 873 K, 1073 K, and 1273 K (600°C, 800°C, and 1000°C) using 8 GPa uniaxial pressure for 3 minutes. Subsequently, an extensive effort has been undertaken to characterize the microstructural and phase evolution by X-ray diffraction, scanning and transmission electron microscopy, and energy dispersive spectroscopy. Mechanical properties including hardness, compressive strength, Young's modulus, and fracture toughness were determined using micro/nano-indentation unit and universal testing machine. The present ferritic alloys record extraordinary levels of compressive strength (from 1150 to 2550 MPa), Young's modulus (from 200 to 240 GPa), indentation fracture toughness (from 3.6 to 15.4 MPa√m), and hardness (from13.5 to 18.5 GPa) and measure up to 1.5 through 2 times greater strength but with a lower density (~7.4 Mg/m3) than other oxide dispersion-strengthened ferritic steels (<1200 MPa) or tungsten-based alloys (<2200 MPa). Besides superior mechanical strength, the novelty of these alloys lies in the unique microstructure comprising uniform distribution of either nanometric (~10 nm) oxide (Y2Ti2O7/Y2TiO5 or un-reacted Y2O3) or intermetallic (Fe11TiY and Al9.22Cr2.78Y) particles' ferritic matrix useful for grain boundary pinning and creep resistance.

Crossover from disordered to core-shell structures of nano-oxide Y{sub 2}O{sub 3} dispersed particles in Fe

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

Higgins, M. P.; Wang, L. M.; Gao, F., E-mail: gaofeium@umich.edu

Molecular dynamic simulations of Y{sub 2}O{sub 3} in bcc Fe and transmission electron microscopy (TEM) observations were used to understand the structure of Y{sub 2}O{sub 3} nano-clusters in an oxide dispersion strengthened steel matrix. The study showed that Y{sub 2}O{sub 3} nano-clusters below 2 nm were completely disordered. Y{sub 2}O{sub 3} nano-clusters above 2 nm, however, form a core-shell structure, with a shell thickness of 0.5–0.7 nm that is independent of nano-cluster size. Y{sub 2}O{sub 3} nano-clusters were surrounded by off-lattice Fe atoms, further increasing the stability of these nano-clusters. TEM was used to corroborate our simulation results and showed a crossover frommore » a disordered nano-cluster to a core-shell structure.« less

Preparation and Oxidation Performance of Y and Ce-Modified Cr Coating on open-cell Ni-Cr-Fe Alloy Foam by the Pack Cementation

NASA Astrophysics Data System (ADS)

Pang, Q.; Hu, Z. L.; Wu, G. H.

2016-12-01

Metallic foams with a high fraction of porosity, low density and high-energy absorption capacity are a rapidly emerging class of novel ultralight weight materials for various engineering applications. In this study, Y-Cr and Ce-Cr-coated Ni-Cr-Fe alloy foams were prepared via the pack cementation method, and the effects of Y and Ce addition on the coating microstructure and oxidation performance were analyzed in order to improve the oxidation resistance of open-cell nickel-based alloy foams. The results show that the Ce-Cr coating is relatively more uniform and has a denser distribution on the surface of the nickel-based alloy foam. The surface grains of the Ce-Cr-coated alloy foam are finer compared to those of the Y-Cr-coated alloy foam. An obvious Ce peak appears on the interface between the coating and the alloy foam strut, which gives rise to a "site-blocking" effect for the short-circuit transport of the cation in the substrate. X-ray diffraction analysis shows that the Y-Cr-coated alloy foam mainly consists of Cr, (Fe, Ni) and (Ni, Cr) phases in the surface layer. The Ce-Cr-coated alloy foam is mainly composed of Cr and (Ni, Cr) phases. Furthermore, the addition of Y and Ce clearly lead to an improvement in the oxidation resistance of the coated alloy foams in the temperature range of 900-1000 °C. The addition of Ce is especially effective in enhancing the diffusion of chromium to the oxidation front, thus, accelerating the formation of a Cr2O3 layer.

Y2O3 modified TiO2 nanosheets enhanced the photocatalytic removal of 4-chlorophenol and Cr (VI) in sun light

NASA Astrophysics Data System (ADS)

Zhao, Xiaona; Wu, Pei; Liu, Min; Lu, Dingze; Ming, Junlan; Li, Chunhe; Ding, Junqian; Yan, Qiuyang; Fang, Pengfei

2017-07-01

Y2O3 modified TiO2 nanosheets (Y2O3@TNSs), capable of exhibiting sun light, were synthesized through one pot/hydrothermal method using Y (NO3)3 as precursor. Multiple techniques were applied to investigate the structures, morphologies, optical and electronic properties and photocatalytic performance of the as-prepared samples. The Y2O3@TNSs, with thickness of approximately 3-4 nm, large surface area of 240-350 m2/g, were full of Y2O3 nanoparticles highly dispersed on the surface. The introduction of Y2O3 influenced the crystallinity and the structure evolution of TNSs, besides, improved the light absorption ability. The surface photo-current and fluorescence spectral studies revealed that the photo-generated charge carrier separation efficiency could be improved by an appropriate modification. The degradation activity of this sun-light-induced photocatalytic has enhanced apparently on 4-Chlorophenol and K2Cr2O7 solution, the degradation efficiency of 4-Chlorophenol reached 5.69 times than that of P25, and the maximum TOC removal obtained after 120 min was 67.6%, indicating that most organic compounds were released from the solution. The enhancement in the photocatalytic activity was attributed to the synergetic effect of the Y2O3 and TNSs, which led to a fast separation and slow recombination of photo-induced electron-hole pairs. Consequently, the high efficiency in the experiments showed a promising application of the catalyst in the oxidation or reduction degradation of organic pollutants.

Crystal structures of lazulite-type oxidephosphates Ti IIITi IV3O 3(PO 4) 3 and MIII4Ti IV27O 24(PO 4) 24 ( MIII=Ti, Cr, Fe)

NASA Astrophysics Data System (ADS)

Schöneborn, M.; Glaum, R.; Reinauer, F.

2008-06-01

Single crystals of the oxidephosphates Ti IIITi IV3O 3(PO 4) 3 (black), Cr III4Ti IV27O 24(PO 4) 24 (red-brown, transparent), and Fe III4Ti IV27O 24(PO 4) 24 (brown) with edge-lengths up to 0.3 mm were grown by chemical vapour transport. The crystal structures of these orthorhombic members (space group F2 dd ) of the lazulite/lipscombite structure family were refined from single-crystal data [Ti IIITi IV3O 3(PO 4) 3: Z=24, a=7.3261(9) Å, b=22.166(5) Å, c=39.239(8) Å, R1=0.029, w R2=0.084, 6055 independent reflections, 301 variables; Cr III4Ti IV27O 24(PO 4) 24: Z=1, a=7.419(3) Å, b=21.640(5) Å, c=13.057(4) Å, R1=0.037, w R2=0.097, 1524 independent reflections, 111 variables; Fe III4Ti IV27O 24(PO 4) 24: Z=1, a=7.4001(9) Å, b=21.7503(2) Å, c=12.775(3) Å, R1=0.049, w R2=0.140, 1240 independent reflections, 112 variables). For Ti IIITi IVO 3(PO 4) 3 a well-ordered structure built from dimers [Ti III,IV2O 9] and [Ti IV,IV2O 9] and phosphate tetrahedra is found. The metal sites in the crystal structures of Cr 4Ti 27O 24(PO 4) 24 and Fe 4Ti 27O 24(PO 4) 24, consisting of dimers [ MIIITi IVO 9] and [Ti IV,IV2O 9], monomeric [Ti IVO 6] octahedra, and phosphate tetrahedra, are heavily disordered. Site disorder, leading to partial occupancy of all octahedral voids of the parent lipscombite/lazulite structure, as well as splitting of the metal positions is observed. According to Guinier photographs Ti III4Ti IV27O 24(PO 4) 24 ( a=7.418(2) Å, b=21.933(6) Å, c=12.948(7) Å) is isotypic to the oxidephosphates MIII4Ti IV27O 24(PO 4) 24 ( MIII: Cr, Fe). The UV/vis spectrum of Cr 4Ti 27O 24(PO 4) 24 reveals a rather small ligand-field splitting Δ o=14,370 cm -1 and a very low nephelauxetic ratio β=0.72 for the chromophores [Cr IIIO 6] within the dimers [Cr IIITi IVO 9].

Epitaxial Bi2 FeCrO6 Multiferroic Thin Film as a New Visible Light Absorbing Photocathode Material.

PubMed

Li, Shun; AlOtaibi, Bandar; Huang, Wei; Mi, Zetian; Serpone, Nick; Nechache, Riad; Rosei, Federico

2015-08-26

Ferroelectric materials have been studied increasingly for solar energy conversion technologies due to the efficient charge separation driven by the polarization induced internal electric field. However, their insufficient conversion efficiency is still a major challenge. Here, a photocathode material of epitaxial double perovskite Bi(2) FeCrO(6) multiferroic thin film is reported with a suitable conduction band position and small bandgap (1.9-2.1 eV), for visible-light-driven reduction of water to hydrogen. Photoelectrochemical measurements show that the highest photocurrent density up to -1.02 mA cm(-2) at a potential of -0.97 V versus reversible hydrogen electrode is obtained in p-type Bi(2) FeCrO(6) thin film photocathode grown on SrTiO(3) substrate under AM 1.5G simulated sunlight. In addition, a twofold enhancement of photocurrent density is obtained after negatively poling the Bi(2) FeCrO(6) thin film, as a result of modulation of the band structure by suitable control of the internal electric field gradient originating from the ferroelectric polarization in the Bi(2) FeCrO(6) films. The findings validate the use of multiferroic Bi(2) FeCrO(6) thin films as photocathode materials, and also prove that the manipulation of internal fields through polarization in ferroelectric materials is a promising strategy for the design of improved photoelectrodes and smart devices for solar energy conversion. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nanocluster irradiation evolution in Fe-9%Cr ODS and ferritic-martensitic alloys

NASA Astrophysics Data System (ADS)

Swenson, M. J.; Wharry, J. P.

2017-12-01

The objective of this study is to evaluate the influence of dose rate and cascade morphology on nanocluster evolution in a model Fe-9%Cr oxide dispersion strengthened steel and the commercial ferritic/martensitic (F/M) alloys HCM12A and HT9. We present a large, systematic data set spanning the three alloys, three irradiating particle types, four orders of magnitude in dose rate, and doses ranging 1-100 displacements per atom over 400-500 °C. Nanoclusters are characterized using atom probe tomography. ODS oxide nanoclusters experience partial dissolution after irradiation due to inverse Ostwald ripening, while F/M nanoclusters undergo Ostwald ripening. Damage cascade morphology is indicative of nanocluster number density evolution. Finally, the effects of dose rate on nanocluster morphology provide evidence for a temperature dilation theory, which purports that a negative temperature shift is necessary for higher dose rate irradiations to emulate nanocluster evolution in lower dose rate irradiations.

Mixed-valent [FeIV(mu-O)(mu-carboxylato)2FeIII]3+ core.

PubMed

Slep, Leonardo D; Mijovilovich, Ana; Meyer-Klaucke, Wolfram; Weyhermüller, Thomas; Bill, Eckhard; Bothe, Eberhard; Neese, Frank; Wieghardt, Karl

2003-12-17

The symmetrically ligated complexes 1, 2, and 3 with a (mu-oxo)bis(mu-acetato)diferric core can be one-electron oxidized electrochemically or chemically with aminyl radical cations [*NR3][SbCl6] in acetonitrile yielding complexes which contain the mixed-valent [(mu-oxo)bis(mu-acetato)iron(IV)iron(III)]3+ core: [([9]aneN3)(2FeIII2)(mu-O)(mu-CH3CO2)2](ClO4)2 (1(ClO4)2), [(Me3[9]aneN3)(2FeIII2)(mu-O)(mu-CH3CO2)2](PF6)2 (2(PF6)(2)), and [(tpb)(2FeIII2)(mu-O)(mu-CH3CO2)2] (3) where ([9]aneN3) is the neutral triamine 1,4,7-triazacyclononane and (Me3[9]aneN3) is its tris-N-methylated derivative, and (tpb)(-) is the monoanion trispyrazolylborate. The asymmetrically ligated complex [(Me3[9]aneN3)FeIII(mu-O)(mu-CH3CO2)2FeIII(tpb)](PF6) (4(PF6)) and its one-electron oxidized form [4ox]2+ have also been prepared. Finally, the known heterodinuclear species [(Me3[9]aneN3)CrIII(mu-O)(mu-CH3CO2)2Fe([9]aneN3)](PF6)2 (5(PF6)(2)) can also be one-electron oxidized yielding [5ox]3+ containing an iron(IV) ion. The structure of 4(PF6).0.5CH3CN.0.25(C2H5)2O has been determined by X-ray crystallography and that of [5ox]2+ by Fe K-edge EXAFS-spectroscopy (Fe(IV)-O(oxo): 1.69(1) A; Fe(IV)-O(carboxylato) 1.93(3) A, Fe(IV)-N 2.00(2) A) contrasting the data for 5 (Fe(III)-O(oxo) 1.80 A; Fe(III)-O(carboxylato) 2.05 A, Fe-N 2.20 A). [5ox]2+ has an St = 1/2 ground state whereas all complexes containing the mixed-valent [FeIV(mu-O)(mu-CH3CO2)2FeIII]3+ core have an St = 3/2 ground state. Mössbauer spectra of the oxidized forms of complexes clearly show the presence of low spin FeIV ions (isomer shift approximately 0.02 mm s(-1), quadrupole splitting approximately 1.4 mm s(-1) at 80 K), whereas the high spin FeIII ion exhibits delta approximately 0.46 mm s(-1) and DeltaE(Q) approximately 0.5 mm s(-1). Mössbauer, EPR spectral and structural parameters have been calculated by density functional theoretical methods at the BP86 and B3LYP levels. The exchange coupling constant, J, for diiron complexes

Electronic structure of Cr doped Fe3O4 thin films by X-ray absorption near-edge structure spectroscopy

NASA Astrophysics Data System (ADS)

Chen, Chi-Liang; Dong, Chung-Li; Asokan, Kandasami; Chern, G.; Chang, C. L.

2018-04-01

Present study reports the electronic structures of Cr doped Fe3O4 (Fe3-xCrxO4 (0 ≤ x ≤ 3) grown on MgO (100) substrates in the form of thin films fabricated by a plasma-oxygen assisted Molecular Beam Epitaxy (MBE). X-ray absorption near-edge structure (XANES) spectra at Cr & Fe L-, and O K-edges were used to understand the electronic structure: changes in the bonding nature, valence states, and site occupancies. Cr doping in Fe3O4 results in the change of charge transfer, crystal structure, and selective occupation of ions in octahedral and tetrahedral sites. Such change modifies the electrical and magnetic properties due to the covalency of Cr ions. The physical and chemical properties of ferrites are strongly dependent on the lattice site, ion size of dopant, and magnetic nature present at different structural symmetry of the spinel structure.

Ordered bimetallic ferromagnets of chromium(III): [Cr(NH 3) 6][Cr(CN) 6], [Cr(H 2O)(NH 3) 5][Cr(CN) 6], and trans-[Cr(en) 2(H 2O) 2]trans-[Cr(en) 2(OH)F] 2(CIO 4) 5·2H 2O

NASA Astrophysics Data System (ADS)

Burriel, Ramón; Casabó, Jaime; Pons, Josefina; Carnegie, David W.; Carlin, Richard L.

1985-07-01

The magnetic bahavior of the isomorphous compounds [Cr(NH 3) 6][Cr(CN) 6] and [Cr(H 2O)(NH 3) 5][Cr(CN) 6] has been studied by means of zero-field susceptibility measurements. The materials order ferromagnetically at 0.60 and 0.38K, respectively. The compounds behave as examples of the ferromagnetic ( S=3/2) Heisenberg body-center-cubic lattice. The susceptibilities have been analyzed and compared to the Padé approximants of the high-temperature series expansion for this model, a remarkably good fit being obtained with exchange constants 0.042 and 0.022 K, respectively. Another bimetallic substance, trans-[Cr(en) 2(H 2O) 2] trans-[Cr(en) 2(OH)F] 2(CIO 4) 5·2H 2O, with a dominant Heisenberg ferromagnetic interaction J/ kB=0.122 K in one dimension, orders antiferromagnetically at 0.14 K due to a weaker interchain interaction with exchange constant z‧ J‧/ kB=-0.019 K. The three sets of measurements have been carried out on powdered samples for which demagnetization effects are important. The exchange interactions are remarkably weak for such concentrated magnetic materials, yet they are stronger than those found in a number of other such Cr/Cr compounds.

Irreversibility and critical current density of FeSr2ErCu2O6+y

NASA Astrophysics Data System (ADS)

Hata, Y.; Iida, I.; Mochiku, T.; Yasuoka, H.

2018-03-01

FeSr2ErCu2O6+y (ErFe1212) and non-superconducting FeSr2ErCu1.9Zn0.1O6+y were synthesized to study the property of the superconductivity and the irreversibility of ErFe1212. A large irreversibility in the temperature dependence of magnetization and a hysteresis in the magnetization curve were observed in ErFe1212. By comparison with non-superconducting FeSr2ErCu1.9Zn0.1O6+y, it was found that the most part of the hysteresis at high magnetic eld originates from the magnetism of Fe ion and some part of the hysteresis at low magnetic eld originates from the superconductivity. Using the magnetization curve of ErFe1212 and FeSr2ErCu1.9Zn0.1O6+y, the J c of ErFe1212 in individual grains at 10 K under 0.1 T was estimated by the Bean model and {J}\\text{c}\\text{intra} was 2.6 × 109 A/m2. The critical current density across inter-grain boundaries at 10 K estimated by V ‑ I measurement was {J}\\text{c}\\text{intra} = 5.7 × 104 A/m2. A large difference between {J}\\text{c}\\text{intra} and {J}\\text{c}\\text{intra} was observed in ErFe1212. {J}\\text{c}\\text{intra} and {J}\\text{c}\\text{intra} of ErFe1212 are 2.2 and 5.2 times larger than these of YFe1212, respectively.

New oxyfluorotellurates(IV): MTeO3F (M = FeIII, GaIII and CrIII).

PubMed

Laval, Jean Paul; Jennene Boukharrata, Nefla; Thomas, Philippe

2008-02-01

The crystal structures of the new isomorphous compounds iron(III) oxyfluorotellurate(IV), FeTeO(3)F, gallium(III) oxyfluorotellurate(IV), GaTeO(3)F, and chromium(III) oxyfluorotellurate(IV), CrTeO(3)F, consist of zigzag chains of MO(4)F(2) distorted octahedra alternately sharing O-O and F-F edges and connected via TeO(3) trigonal pyramids. A full O/F anionic ordering is observed and the electronic lone pair of the Te(IV) cation is stereochemically active.

Structural, magnetic and optical properties of Y bFe{sub 2}O{sub 4} films deposited by spin coating

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

Fujii, Tatsuo, E-mail: tfujii@cc.okayama-u.ac.jp; Okamura, Naoya; Hashimoto, Hideki

Rare-earth iron oxides (RFe{sub 2}O{sub 4}) have attracting attention as new electronic device materials because of their numerous functionalities, such as electronic ferroelectricity, ferrimagnetism, and high infrared absorption. In this paper, nearly monophasic Y bFe{sub 2}O{sub 4} films were prepared on α-Al{sub 2}O{sub 3}(001) substrates by the spin coating method using an aqueous-based Y bFe{sub 2}O{sub 4} solution. The solution was composed of a stoichiometric ratio of Y b(CH{sub 3}COO){sub 3} and Fe(NO{sub 3}){sub 3} with excess chelating agents. After heat treatment above 800 °C, well-crystallized and highly (001)-oriented Y bFe{sub 2}O{sub 4} started to epitaxially form on the substrate undermore » controlled oxygen partial pressure with H{sub 2}/CO{sub 2} gas mixtures. X-ray pole figure analysis confirmed the following epitaxial relationship: Y bFe{sub 2}O{sub 4}[100](001)//α-Al{sub 2}O{sub 3}[100](001). Moreover formation of an Fe{sub 3}O{sub 4} interracial layer between Y bFe{sub 2}O{sub 4} and α-Al{sub 2}O{sub 3} was detected by high-resolution transmission electron microscopy. Presence of the Fe{sub 3}O{sub 4} interracial layer seemed to release the lattice misfit with the substrate. The Fe{sup 2+}/Fe{sup 3+} ratio in the obtained Y bFe{sub 2}O{sub 4} films was nearly stoichiometric and the indirect bandgap assigned to Fe{sup 2+} → Fe{sup 3+} charge transfer excitation was found to be ∼0.4 eV by optical spectroscopy. A clear magnetic transition from the paramagnetic state to the ferrimagnetic state occurred at ∼230 K.« less

A bifunctional luminescent Tb(III)-metal-organic framework by a tetracarboxylate ligand for highly selective detection of Fe3+ cation and Cr2O72- anion

NASA Astrophysics Data System (ADS)

Yu, Li; Wang, Chao; Hu, Chang-Jiang; Dong, Wen-Wen; Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun

2018-06-01

Reaction of Tb3+ ions with p-terphenyl-3,3″,5,5″-tetracarboxylic acid (H4ptptc) in a mixed solvent system has afforded a new metal-organic framework formulated as [Tb2(ptptc)1.5(H2O)2]n (1). Compound 1 displays a 3D (5,6,8)-connected framework with fascinating one-dimensional triangle open channels. The luminescence explorations demonstrated that 1 exhibits highly selective and sensitive response to Fe3+ in DMF solution and biological system through luminescence quenching effects. In addition, 1 also shows high detection for the Cr2O72-, making it a promising dual functional materials for detecting Fe3+ cation and Cr2O72- anion with high sensitivity and selectivity.

Growth, structure, and properties of epitaxial thin films of first-principles predicted multiferroic Bi2FeCrO6

NASA Astrophysics Data System (ADS)

Nechache, Riad; Harnagea, Catalin; Pignolet, Alain; Normandin, François; Veres, Teodor; Carignan, Louis-Philippe; Ménard, David

2006-09-01

The authors report the structural and physical properties of epitaxial Bi2FeCrO6 thin films on epitaxial SrRuO3 grown on (100)-oriented SrTiO3 substrates by pulsed laser ablation. The 300nm thick films exhibit both ferroelectricity and magnetism at room temperature with a maximum dielectric polarization of 2.8μC /cm2 at Emax=82kV/cm and a saturated magnetization of 20emu/cm3 (corresponding to ˜0.26μB per rhombohedral unit cell), with coercive fields below 100Oe. The results confirm the predictions made using ab initio calculations about the existence of multiferroic properties in Bi2FeCrO6.

Crystal structure and electrical conductivity of lanthanum-calcium chromites-titanates La 1-xCa xCr 1-yTi yO 3-δ ( x=0-1, y=0-1)

NASA Astrophysics Data System (ADS)

Vashook, V.; Vasylechko, L.; Zosel, J.; Gruner, W.; Ullmann, H.; Guth, U.

2004-10-01

Five series of perovskite-type compounds in the system La1-xCaxCr1-yTiyO3 with the nominal compositions y = 0 , x = 0 - 0.5 ; y = 0.2 , x = 0.2 - 0.8 ; y = 0.5 , x = 0.5 - 1.0 ; y = 0.8 , x = 0.6 - 1.0 and y = 1 , x = 0.8 - 1 were synthesized by a ceramic technique in air (final heating 1350 °C). On the basis of the X-ray analysis of the samples with (Ca/Ti)⩾1, the phase diagram of the CaTiO3-LaCrIIIO3-CaCrIVO3 quasi-ternary system was constructed. Extended solid solution with a wide homogeneity range is formed in the quasi-ternary system CaCrIVO3-CaTiO3-LaCrIIIO3. The solid solution La(1-x‧-y)Ca(x‧+y)CrIVx‧CrIII(1-x‧-y)TiyO3 exists by up to 0.6-0.7 mol fractions of CaCrIVO3 (x‧ < 0.6 - 0.7) at the experimental conditions. The crystal structure of the compounds is orthorhombic in the space group Pbnm at room temperature. The lattice parameters and the average interatomic distances of the samples within the solid solution ranges decrease uniformly with increasing Ca content. Outside the quasi-ternary system, the nominal compositions La0.1Ca0.9TiO3, La0.2Ca0.8TiO3, La0.4Ca0.6Cr0.2Ti0.8O3 and La0.3Ca0.7Cr0.2Ti0.8O3 in the system La1-xCaxCr1-yTiyO3 were found as single phases with an orthorhombic structure. In the temperature range between 850 and 1000 °C, the synthesized single-phase compositions are stable at pO2=6×10-16-0.21×105 Pa. Oxygen stoichiometry and electrical conductivity of the separate compounds were investigated as functions of temperature and oxygen partial pressure. The chemical stability of these oxides with respect to oxygen release during thermal dissociation decreases with increasing Ca-content. At 900 °C and oxygen partial pressure 1×10-15-0.21×105 Pa, the compounds with x > y (acceptor doped) are p-type semiconductors and those with x < y (donor doped) and x = y are n-type semiconductors. The type and level of electrical conductivity are functions of the concentration ratios of cations occupying the B-sites of the perovskite

Highly-active oxygen evolution electrocatalyzed by an Fe-doped NiCr2O4 nanoparticle film.

PubMed

Zhao, Jinxiu; Li, Xianghong; Cui, Guanwei; Sun, Xuping

2018-05-11

Alkaline water splitting offers a simple method for the mass production of hydrogen but suffers from the sluggish kinetics of the anodic oxygen evolution reaction (OER). Here, we report on the development of an Fe-doped NiCr2O4 nanoparticle film on Ni foam (Fe-NiCr2O4/NF) as a non-noble-metal OER electrocatalyst with superior catalytic activity at alkaline pH. Such Fe-NiCr2O4/NF demands overpotentials as low as 228 and 318 mV to drive current densities of 20 and 500 mA cm-2, respectively, in 1.0 M KOH. Notably, it also shows strong long-term electrochemical durability with its activity being retained for at least 60 h.

Annealing effects on the microstructure and mechanical properties of hot-rolled 14Cr-ODS steel

NASA Astrophysics Data System (ADS)

Gao, R.; Zhang, T.; Ding, H. L.; Jiang, Y.; Wang, X. P.; Fang, Q. F.; Liu, C. S.

2015-10-01

The oxide dispersion strengthened ferritic steels with nominal composition (weight percent) of Fe-14Cr-2W-0.5Ti-0.06Si-0.2V-0.1Mn-0.05Ta-0.03C-0.3Y2O3 were fabricated by sol-gel method, mechanical alloying, and hot isostatic pressing techniques. The evolution of microstructure and mechanical properties of the hot-rolled specimens with heat treatment was investigated. Tensile strength and hardness of hot-rolled ODS steel are significantly enhanced due to the formation of mechanical twins and high density dislocations. Uniformly dispersed oxide particles (10-40 nm) and fine-grained structure (200-400 nm) are responsible for the superior mechanical properties of the hot-rolled specimen annealed between 650 °C and 850 °C. With further increasing annealing temperature, the grain size of the hot-rolled specimens increases while the size of oxide particles decreases, which leads to lower strength and hardness but better ductility. The tensile strength and total elongation of samples in the rolling direction are higher than those in the transverse direction after the same treatments owing to the grain anisotropy induced by the large mechanical deformation.

Ethylenediamine grafted to graphene oxide@Fe3O4 for chromium(VI) decontamination: Performance, modelling, and fractional factorial design

PubMed Central

Xu, Jiawen; Wu, Cuiyu; Deng, Jianbin; Liao, Wenwei; Ling, Yuxiang; Yang, Yuanxiu; Zhao, Yina; Zhao, Yunlin; Hu, Xi; Wang, Hui; Liu, Yunguo

2017-01-01

A method for grafting ethylenediamine to a magnetic graphene oxide composite (EDA-GO@Fe3O4) was developed for Cr(VI) decontamination. The physicochemical properties of EDA-GO@Fe3O4 were characterized using HRTEM, EDS, FT-IR, TG-DSC, and XPS. The effects of pH, sorbent dose, foreign anions, time, Cr(VI) concentration, and temperature on decontamination process were studied. The solution pH can largely affect the decontamination process. The pseudo-second-order model is suitable for being applied to fit the adsorption processes of Cr(VI) with GO@Fe3O4 and EDA-GO@Fe3O4. The intra-particle diffusion is not the rate-controlling step. Isotherm experimental data can be described using the Freundlich model. The effects of multiple factors on the Cr(VI) decontamination was investigated by a 25−1 fractional factorial design (FFD). The adsorption process can significantly be affected by the main effects of A (pH), B (Cr(VI) concentration), and E (Adsorbent dose). The combined factors of AB (pH × Cr(VI) concentration), AE (pH × Adsorbent dose), and BC (Cr(VI) concentration × Temperature) had larger effects than other factors on Cr(VI) removal. These results indicated that EDA-GO@Fe3O4 is a potential and suitable candidate for treatment of heavy metal wastewater. PMID:29084287

Effect of Al and Cr Content on Air and Steam Oxidation of FeCrAl Alloys and Commercial APMT Alloy

DOE PAGES

Unocic, Kinga A.; Yamamoto, Yukinori; Pint, Bruce A.

2017-03-09

To develop the next generation of accident-tolerant fuel cladding for light-water nuclear reactors, wrought FeCrAlY alloys with varying amounts of Cr and Al and commercial Kanthal APMT alloy were evaluated for short-term (4 h) oxidation resistance in steam and air at 1200–1475 °C. Model alloys with lower Cr contents and higher Al contents were evaluated in this paper as lower Cr contents are desirable for radiation damage resistance during operation. As expected, a synergistic effect was found between the Cr and Al contents to enable protective Al 2O 3 formation under these conditions. Characterization of the alumina scales formed inmore » steam found that the scale morphology was affected by the alloy Y content and detailed scanning transmission electron microscopy (STEM) detected Y segregation along scale grain boundaries at 1200 °C. However, after 4 h at 1475 °C, Y and Hf were not segregated to the oxide grain boundaries formed on APMT and the scale had a single layer structure. Finally, compared to oxidation in air, STEM characterization of the outer scale showed differences in the Fe and Cr distributions in steam.« less

Evaluation and comparision of dc resistivity of NiZr x Co x Fe2-2x O4, Ni0.5Sn0.5Co x Mn x Fe2-2x O4, Mg1-x Ca x Ni y Fe2-y O4 and Mg1-x Ni x Co y Fe2-y O4 nanocrytalline materials

NASA Astrophysics Data System (ADS)

Ali, Rajjab; Gilani, Zaheer Abbas; Shahzad Shifa, Muhammad; Asghar, H. M. Noor Ul Huda Khan; Azhar Khan, Muhammad; Naeem Anjum, Muhammad; Nauman Usmani, Muhammad; Farooq Warsi, Muhammad; Khawaja, Imtiaz U.

2017-11-01

Four series nanocrystalline ferrites with nominal composition, NiZr x Co x Fe2-2x O4 (x  =  0.0, 0.2, 0.4, 0.6, 0.8) Ni0.5Sn0.5Co x Mn x Fe2-2x O4 (x  =  0.0, 0.2, 0.4, 0.6, 0.8), Mg1-x Ca x Ni y Fe2-y O4 (x  =  0.0, 0.2, 0.4, 0.6, 0.8; y  =  0, 04, 0.8, 1.2, 1.6) and Mg1-x Ni x Co y Fe2-y O4 (x,y  =  0.0, 0.2, 0.4, 0.6, 0.8) have been fabricated using the microemulsion synthesis route. The synthesized materials are investigated for dc electrical resistivity measurements. The variation of dc electrical resistivity of these materials has been explainedon the basis of hopping mechanism of both holes and electrons.

Structural, thermal and photomagnetic properties of spin crossover [Fe(bpp)2]2+ salts bearing [Cr(L)(ox)2]- anions.

PubMed

Clemente-León, Miguel; Coronado, Eugenio; Giménez-López, M Carmen; Romero, Francisco M; Asthana, Saket; Desplanches, Cédric; Létard, Jean-François

2009-10-14

This paper is divided into two parts: in the first part, the influence of solvate molecules on the magnetic properties of spin crossover salts of [Fe(bpp)(2)][Cr(L)(ox)(2)]ClO(4) x nS (bpp = 2,6-bis(pyrazol-3yl)pyridine; L = 2,2'-bipyridine (bpy) or 1,10-phenanthroline (phen); ox = oxalate dianion; S = solvent) is analyzed. The second part is devoted to the photomagnetic properties of the previously reported [Fe(bpp)(2)][Cr(L)(ox)(2)](2) family of compounds. The study describes the crystal structure, differential scanning calorimetry (DSC) and magnetic properties of [Fe(bpp)(2)][Cr(bpy)(ox)(2)]ClO(4) x EtOH x 4 H(2)O (1) and [Fe(bpp)(2)][Cr(phen)(ox)(2)]ClO(4) x 1.5 EtOH x 4 H(2)O (2). Both salts are high-spin (HS) compounds. Desolvation of 1 yields a material exhibiting a gradual spin crossover that involves 50% of the Fe(2+) cations. Rehydration of this desolvated salt induces a significant increase in the low-spin (LS) population. Desolvation of 2 affords a material showing a more abrupt spin crossover with thermal hysteresis (T(1/2)(increasing) = 286 K and T(1/2)(decreasing) = 273 K). This material is not very sensitive to rehydration. The anhydrous compounds [Fe(bpp)(2)][Cr(bpy)(ox)(2)](2) (3) and [Fe(bpp)(2)][Cr(phen)(ox)(2)](2) (4) display some quantitative photomagnetic conversion with T(LIESST) values of 41 and 51 K, respectively. Kinetic parameters governing the photo-induced HS-LS relaxation process have been determined and used to reproduce the T(LIESST) curves.

Long-range ordering in the Bi 1-xAe xFeO 3-x/2 perovskites: Bi 1/3Sr 2/3FeO 2.67 and Bi 1/2Ca 1/2FeO 2.75

NASA Astrophysics Data System (ADS)

Lepoittevin, C.; Malo, S.; Barrier, N.; Nguyen, N.; Van Tendeloo, G.; Hervieu, M.

2008-10-01

Two-ordered perovskites, Bi 1/3Sr 2/3FeO 2.67 and Bi 1/2Ca 1/2FeO 2.75, have been stabilized and characterized by transmission electron microscopy, Mössbauer spectroscopy and X-ray powder diffraction techniques. They both exhibit orthorhombic superstructures, one with a≈ b≈2 ap and c≈3 ap (S.G.: Pb2 n or Pbmn) for the Sr-based compound and one with a≈ b≈2 ap and c≈8 ap (S.G.: B222, Bmm2, B2 mm or Bmmm) for the Ca-based one. The high-resolution transmission electron microscopy (HRTEM) images evidence the existence of one deficient [FeO x] ∞ layer, suggesting that Bi 1/3Sr 2/3FeO 2.67 and Bi 1/2Ca 1/2FeO 2.75 behave differently compared to their Ln-based homolog. The HAADF-STEM images allow to propose a model of cation ordering on the A sites of the perovskite. The Mössbauer analyses confirm the trivalent state of iron and its complex environment with three types of coordination. Both compounds exhibit a high value of resistivity and the inverse molar susceptibility versus temperature curves evidence a magnetic transition at about 730 K for the Bi 1/3Sr 2/3FeO 2.67 and a smooth reversible transition between 590 and 650 K for Bi 1/2Ca 1/2FeO 2.75.

Some TEM observations of Al2O3 scales formed on NiCrAl alloys

NASA Technical Reports Server (NTRS)

Smialek, J.; Gibala, R.

1979-01-01

The microstructural development of Al2O3 scales on NiCrAl alloys has been examined by transmission electron microscopy. Voids were observed within grains in scales formed on a pure NiCrAl alloy. Both voids and oxide grains grew measurably with oxidation time at 1100 C. The size and amount of porosity decreased towards the oxide-metal growth interface. The voids resulted from an excess number of oxygen vacancies near the oxidemetal interface. Short-circuit diffusion paths were discussed in reference to current growth stress models for oxide scales. Transient oxidation of pure, Y-doped, and Zr-doped NiCrAl was also examined. Oriented alpha-(Al, Cr)2O3 and Ni(Al, Cr)2O4 scales often coexisted in layered structures on all three alloys. Close-packed oxygen planes and directions in the corundum and spinel layers were parallel. The close relationship between oxide layers provided a gradual transition from initial transient scales to steady state Al2O3 growth.

Comparative study of nano-sized particles CoFe2O4 effects on superconducting properties of Y-123 and Y-358

NASA Astrophysics Data System (ADS)

Slimani, Y.; Hannachi, E.; Ben Salem, M. K.; Hamrita, A.; Varilci, A.; Dachraoui, W.; Ben Salem, M.; Ben Azzouz, F.

2014-10-01

The effects of nano-sized CoFe2O4 particles (10 nm) addition on the structural and the normal state resistivity of YBa2Cu3O7 (noted Y-123) and Y3Ba5Cu8O18 (noted Y-358) polycrystalline were systematically studied. Samples were synthesized in oxygen atmosphere using a standard solid state reaction technique by adding CoFe2O4 up to 2 wt%. Phases, microstructure and superconductivity have been systematically investigated using X-ray diffraction (XRD), scanning electron microscopy (SEM) and electrical measurements ρ(T). XRD results reveal that the lattice parameters change for both Y-123 and Y-358 phases. SEM observations reveal that the grain size is reduced with increasing the content of CoFe2O4. The measurements for the resistivity dependence of temperature show that the depression in superconducting temperature is more pronounced for CoFe2O4 addition in Y-358 compound than in Y-123 one. These results may be attributed to the existence of much more disorder due to a greater number of Cu sites to be substituted by Fe and Co in Y-358 compared to Y-123.

The effect of Cr2O3 doping on structures and dielectric constants of SiO2-Bi2O3-B2O3-Na2CO3 glass based on silica gel of natural sand

NASA Astrophysics Data System (ADS)

Diantoro, M.; Zaini, M. B.; Muniroh, Z.; Nasikhudin; Hidayat, A.

2017-05-01

One of the abundant natural resources along the coastal lines of Indonesia is silica sand. One of the beaches which has a lot of silica content is Bancar-Tuban beach. Silica can be used as a raw material of glass that has multiple properties in optic, dielectric, and other physical properties by introducing specific dopants. Some oxides have been used as dopant e.g. Al2O3, Fe3O4, and NiO. However, there has not been any comprehensive study discussing the multiple properties of natural silica-sand-based glass with Cr2O3 dopant so far. A series of samples have been prepared, which mean two solid steps to state melting technique. Cr2O3 was selected as a dopant due to its potential to control its color and to increase the dielectric constant of the glass. The synthesis of silica (SiO2) sand from BancarTuban beach was conducted through the sol-gel process. The composition varied as the addition of Cr2O3on 50SiO2-25B2O3-(6.5-x) Bi2O3-18.5Na2CO3-xCr2O3 (x = 0, 0.02, 0.04, 0.06 and 0.08mol), later called SBBN glass. The samples’ characterizations of the structure and morphology were conducted through the use of XRD, and SEM-EDX. The measurements were done by using a DC capacitance meter in order to investigate the dielectric properties of the sample, under the influence of light. It is shown that addition of Cr2O3 did not alter the crystal structure but changed the structure of the functional bond formation. It is also revealed that the dielectric constant increased along with the increasing of Cr2O3. An interesting result was that the dielectric constant of the glass was quantized decreasingly as the increase of light.

X-ray fluorescence analysis of Cr(6+) component in mixtures of Cr(2)O(3) and K(2)CrO(4).

PubMed

Tochio, Tatsunori; Sakakura, Shusuke; Oohashi, Hirofumi; Mizota, Hirohisa; Zou, Yanhui; Ito, Yoshiaki; Fukushima, Sei; Tanuma, Shigeo; Shoji, Takashi; Fujimura, Hajime; Yamashita, Michiru

2010-01-01

X-ray fluorescence analysis using Cr K(alpha) spectra was applied to the determination of the mixing ratio of Cr(6+) to (Cr(6+) + Cr(3+)) in several mixtures of K(2)CrO(4) and Cr(2)O(3). Because the powder of K(2)CrO(4) contained large particles that were more than 50 microm in diameter, it was ground between a pestle and a mortar for about 8 h. The coarse particles still remaining were removed by using a sieve with 325-mesh (44 microm) in order to reduce the difference in absorption effects between emissions from Cr(6+) and those from Cr(3+). The mixing ratio, K(2)CrO(4)/(K(2)CrO(4) + Cr(2)O(3)), of the five mixtures investigated is 0.50, 0.40, 0.20, 0.10, and 0.05 in weight, respectively. Each spectrum obtained was analyzed by decomposing it into two reference spectra, those of the two pure materials, K(2)CrO(4) and Cr(2)O(3), with a constant background. The results for the mixtures containing K(2)CrO(4) of more than 20 wt% are that the relative deviation from the true value is less than approximately 5%. On the other hand, when the content of K(2)CrO(4) decreases to less than 10 wt%, the relative deviation gets so large as 20 - 25%. The error coming from a peak separation of spectrum involved in our results were estimated by applying our method to five sets of data for each mixture computationally generated, taking into account the uncertainty in total counts of real measurements.

An amino-functionalized magnetic framework composite of type Fe3O4-NH2@MIL-101(Cr) for extraction of pyrethroids coupled with GC-ECD.

PubMed

He, Xi; Yang, Wei; Li, Sijia; Liu, Yu; Hu, Baichun; Wang, Ting; Hou, Xiaohong

2018-01-24

An amino-functionalized magnetic framework composite of type Fe 3 O 4 -NH 2 @MIL-101(Cr) was synthesized using a solvothermal method. The material was characterized by scanning electron microscopy, X-ray diffraction, Fourier transform infrared spectroscopy, nitrogen adsorption, and magnetometry. The composite combines the advantages of amino-modified Fe 3 O 4 and MIL-101(Cr). The presence of amino groups facilitates the fairly specific adsorption of pyrethroids. The composite was employed as a sorbent for magnetic solid phase extraction of five pyrethroids from environmental water samples. Following desorption with acidified acetone, the pyrethroids were quantified by gas chromatography with electron capture detection. The detection limits for bifenthrin, fenpropathrin, λ-cyhalothrin, permethrin, and deltamethrin range from 5 to 9 pg·mL -1 . The method is rapid, accurate, and highly sensitive. The molecular interactions and free binding energies between MIL-101(Cr) and the five pyrethroids were calculated by means of molecular docking. Graphical abstract A novel functionalized magnetic framework composite of type Fe 3 O 4 -NH 2 @MIL-101(Cr) was synthesized. It was applied as a sorbent for magnetic solid phase extraction of pyrethroids prior to their quantitation by gas chromatography with electron capture detection. The molecular interactions of analytes and MIL-101(Cr) were studied.

Influence of Al Addition Upon the Microstructure and Mechanical Property of Dual-Phase 9Cr-ODS Steels

NASA Astrophysics Data System (ADS)

Zhou, Xiaosheng; Ma, Zongqing; Yu, Liming; Huang, Yuan; Li, Huijun; Liu, Yongchang

2018-06-01

With Al addition, dual-phase oxide dispersion strengthened (ODS) steels consisting of martensite and ferrite are fabricated by spark plasma sintering. It is found that Al addition has a negligible effect on martensite lath size, while the amount and size of ferrite grains are related to the Al content. M23C6 (M = Fe, Cr) carbides have been identified within the ferrite grains or along ferrite boundaries. With increasing Al concentration, more fine Y-Al-O oxide nanoparticles are formed. Upon annealing treatment, homogeneous and refined distribution of ferrite grains is obtained, which may involve the particle-stimulated nucleation of recrystallization caused by the large sized M23C6. As Al is increased from 0.05 to 0.1 wt%, the tensile strength of the annealed steel is decreased, as well as its ductility. For the annealed 9Cr-ODS steel containing 0.1 wt% Al, in tensile loading the large sized M23C6 along ferrite boundaries would facilitate the cracking along boundaries between the hard annealed ferrite and soft annealed martensite, producing the mixed fracture of dimple and intergranular fracture.

Magnetic properties of quadruple perovskite solid solutions Ca{sub 1–x}Y{sub x}Cu{sub 3}Fe{sub 4}O{sub 12} and Y{sub 1–y}Ce{sub x}Cu{sub 3}Fe{sub 4}O{sub 12}

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

Murakami, Makoto; Mori, Shigeo; Yamada, Ikuya, E-mail: i-yamada@21c.osakafu-u.ac.jp

Magnetic properties of the quadruple perovskite solid solutions Ca{sub 1–x}Y{sub x}Cu{sub 3}Fe{sub 4}O{sub 12} and Y{sub 1–y}Ce{sub y}Cu{sub 3}Fe{sub 4}O{sub 12} are investigated. Ca{sub 1–x}Y{sub x}Cu{sub 3}Fe{sub 4}O{sub 12} shows continuous increase in the ferromagnetic transition temperature as x increases. Y{sub 1–y}Ce{sub y}Cu{sub 3}Fe{sub 4}O{sub 12} exhibits a ferromagnetic-antiferromagnetic transition in the vicinity of y = 0.5. These observations demonstrate the electron doping effect on magnetic properties of charge-disproportionated ACu{sub 3}Fe{sub 4}O{sub 12} phases.

Colour due to Cr3+ ions in oxides: a study of the model system MgO:Cr3+

NASA Astrophysics Data System (ADS)

Aramburu, J. A.; García-Fernández, P.; García-Lastra, J. M.; Barriuso, M. T.; Moreno, M.

2013-05-01

Seeking to understand why the cubic centre in MgO:Cr3+ has the same 10Dq value as emerald, ab initio cluster and periodic supercell calculations have been performed. It is found that the equilibrium Cr3+-O2- distance, R, in MgO:Cr3+ is equal to 2.03 Å and thus 0.06 Å higher than that measured for the emerald. Calculations carried out on the isolated {{CrO}}_{6}^{9-} complex at R = 2.03 Å give 10Dq = 14 510 cm-1, which is 10% smaller than the experimental figure for MgO:Cr3+. Nevertheless, when the internal electric field, ER(r), due to the rest of the lattice ions is also taken into account, the calculated 10Dq = 16 210 cm-1 coincides with the experimental value. Accordingly, the colour shift for different oxides doped with Cr3+ can be well understood on the basis of this extrinsic contribution to 10Dq usually ignored in a ligand field description. The calculated electrostatic potential, VR(r), related to ER(r), is found to be attractive when the electronic density is lying along <110> directions and |r| > 1 Å driven by the first shell of twelve Mg2+ ions. The action of VR(r) upon the {{CrO}}_{6}^{9-} complex slightly decreases the energy of t2g(xy,xz,yz) orbitals with respect to that for eg(3z2 - r2,x2 - y2) orbitals, thus enhancing the 10Dq value by 0.2 eV. However, the addition of VR(r) induces very small changes in the electronic density, a relevant fact that is related to the {}^{2}{E}({{t}}_{2{g}}^{3})\\hspace{0.167em} {\\rightarrow \\hspace{0.167em} }^{4}{{A}}_{2}({{t}}_{2{g}}^{3}) emission energy being nearly independent of the host lattice along the series of Cr3+-doped oxides.

Helical order and multiferroicity in the S =1/2 quasi-kagome system KCu3As2O7(OD)3

NASA Astrophysics Data System (ADS)

Nilsen, G. J.; Okamoto, Y.; Ishikawa, H.; Simonet, V.; Colin, C. V.; Cano, A.; Chapon, L. C.; Hansen, T.; Mutka, H.; Hiroi, Z.

2014-04-01

Several Cu2+ hydroxide minerals have been recently identified as candidate realizations of the S=1/2 kagome Heisenberg model. In this context, we have studied the distorted system KCu3As2O7(OD)3 using neutron scattering and bulk measurements. Although the distortion favors magnetic order over a spin liquid ground state, refinement of the magnetic diffraction pattern below TN1=7.05(5) K yields a complex helical structure with k =(0.77,0,0.11). This structure, as well as the spin excitation spectrum, are well described by a classical Heisenberg model with ferromagnetic nearest neighbor couplings. Multiferroicity is observed below TN1, with an unusual crossover between improper and pseudoproper behavior occurring at TN2=5.5 K. The polarization at T =2 K is P =1.5μCm-2. The properties of KCu3As2O7(OD)3 highlight the variety of physics which arise from the interplay of spin and orbital degrees of freedom in Cu2+ kagome systems.

Viscosity of TiO2-FeO-Ti2O3-SiO2-MgO-CaO-Al2O3 for High-Titania Slag Smelting Process

NASA Astrophysics Data System (ADS)

Hu, Kai; Lv, Xuewei; Li, Shengping; Lv, Wei; Song, Bing; Han, Kexi

2018-05-01

The present study demonstrates the dependence of viscosity on chemical composition and temperature of high-titania slag, a very important raw material for producing titanium dioxide. The results indicated that completely molten high-titania slag exhibits a viscosity of less than 1 dPa s with negligible dependence on temperature. However, it increases dramatically with decreasing temperature slightly below the critical temperature, i.e., the solidus temperature of the slag. Above the critical temperature, the slag samples displayed the same order of viscosity at 0.6 dPa s, regardless of their compositional variation. However, the FeO, CaO, and MgO were confirmed to decrease viscosity, while SiO2 and Ti2O3 increase it. The apparent activation energy for viscosity-temperature relation and liquidus temperature based on experiments and thermodynamic calculations are also presented. Conclusively, the critical temperatures of the slags are on average 15 K below their corresponding calculated liquidus temperatures. The increase in FeO content was found to considerably lower the critical temperature, while the increase in both Ti2O3 and TiO2 contents increases it. The main phases of the slag in solid state, as indicated by X-ray diffraction, are (Fe, Mg) x Ti y O5 (x + y = 3, pseudobrookite) and rutile.

Load partitioning between ferrite/martensite and dispersed nanoparticles of a 9Cr ferritic/martensitic (F/M) ODS steel at high temperatures

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

Zhang, Guangming; Mo, Kun; Miao, Yinbin

2015-06-18

In this study, a high-energy synchrotron radiation X-ray technique was used to investigate the tensile deformation processes of a 9Cr-ODS ferritic/martensitic (F/M) steel at different temperatures. Two minor phases within the 9Cr-ODS F/M steel matrix were identified as Y2Ti2O7 and TiN by the high-energy X-ray diffraction, and confirmed by the analysis using energy dispersive X-ray spectroscopy (EDS) of scanning transmission electron microscope (STEM). The lattice strains of the matrix and particles were measured through the entire tensile deformation process. During the tensile tests, the lattice strains of the ferrite/martensite and the particles (TiN and Y2Ti2O7) showed a strong temperature dependence,more » decreasing with increasing temperature. Analysis of the internal stress at three temperatures showed that the load partitioning between the ferrite/martensite and the particles (TiN and Y2Ti2O7) was initiated during sample yielding and reached to a peak during sample necking. At three studied temperatures, the internal stress of minor phases (Y2Ti2O7 and TiN) was about 2 times that of F/M matrix at yielding position, while the internal stress of Y2Ti2O7 and TiN reached about 4.5-6 times and 3-3.5 times that of the F/M matrix at necking position, respectively. It indicates that the strengthening of the matrix is due to minor phases (Y2Ti2O7 and TiN), especially Y2Ti2O7 particles. Although the internal stresses of all phases decreased with increasing temperature from RT to 600 degrees C, the ratio of internal stresses of each phase at necking position stayed in a stable range (internal stresses of Y2Ti2O7 and TiN were about 4.5-6 times and 3-3.5 times of that of F/M matrix, respectively). The difference between internal stress of the F/M matrix and the applied stress at 600 degrees C is slightly lower than those at RI and 300 degrees C, indicating that the nanoparticles still have good strengthening effect at 600 degrees C. (C) 2015 Elsevier B.V. All rights

Solute redistribution and phase stability at FeCr/TiO 2–x interfaces under ion irradiation

DOE PAGES

Xu, Y.; Aguiar, J. A.; Yadav, S. K.; ...

2015-02-26

Cr diffusion in trilayer thin films of 100 nm Fe–18Cr/125 nm TiO 2–x/100 nm Fe–18Cr deposited on MgO substrates at 500 °C was studied by either annealing at 500 °C or Ni 3+ ion irradiation at 500 °C. Microchemistry and microstructure evolution at the metal/oxide interfaces were investigated using (high-resolution) transmission electron microscopy, energy-dispersive X-ray spectroscopy and electron energy loss spectroscopy. Diffusion of Cr into the O-deficient TiO 2 layer, with negligible segregation to the FeCr/TiO 2–x interface itself, was observed under both annealing and irradiation. Cr diffusion into TiO 2–x was enhanced in ion-irradiated samples as compared to annealed.more » Irradiation-induced voids and amorphization of TiO 2–x was also observed. The experimental results are rationalized using first-principles calculations that suggest an energetic preference for substituting Ti with Cr in sub-stoichiometric TiO 2. Furthermore, the implications of these results on the irradiation stability of oxide-dispersed ferritic alloys are discussed.« less

Ni: Fe2O3, Mg: Fe2O3 and Fe2O3 thin films gas sensor application

NASA Astrophysics Data System (ADS)

Saritas, Sevda; Kundakci, Mutlu; Coban, Omer; Tuzemen, Sebahattin; Yildirim, Muhammet

2018-07-01

Iron oxide is a widely used sensitive material for gas sensor applications. They have fascinated much attention in the field of gas sensing and detecting under atmospheric conditions and at 200 °C temperature due to their low cost in production; simplicity and fast of their use; large number of detectable gases. Iron oxide gas sensors constitute investigated for hazardous gases used in various fields. The morphological structure (particle size, pore size, etc.), optical, magnetic and electrical properties of Ni:Fe2O3, Mg:Fe2O3 and Fe2O3 thin films which grown by Spray pyrolysis (SP) have been investigated. XRD, Raman and AFM techniques have been used for structural analysis. AFM measurements have been provided very useful information about surface topography. I-V (Van der Pauw) technique has been used for response of gas sensor. These devices offer a wide variety of advantages over traditional analytical instruments such as low cost, short response time, easy manufacturing, and small size.

Response of 9Cr-ODS Steel to Proton Irradiation at 400 °C

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

Jianchao He; Farong Wan; Kumar Sridharan

2014-09-01

The stability of Y–Ti–O nanoclusters, dislocation structure, and grain boundary segregation in 9Cr-ODS steels has been investigated following proton irradiation at 400 °C with damage levels up to 3.7 dpa. A slight coarsening and a decrease in number density of nanoclusters were observed as a result of irradiation. The composition of nanoclusters was also observed to change with a slight increase of Y and Cr concentration in the nanoclusters following irradiation. Size, density, and composition of the nanoclusters were investigated as a function of nanocluster size, specifically classified to three groups. In addition to the changes in nanoclusters, dislocation loopsmore » were observed after irradiation. Finally, radiation-induced enrichment of Cr and depletion of W were observed at grain boundaries after irradiation.« less

Luminescent properties of Cr-doped (GdX, Y1-X)3Al5O12 infra-red scintillator crystals

NASA Astrophysics Data System (ADS)

Suzuki, Akira; Kurosawa, Shunsuke; Yamaji, Akihiro; Shoji, Yasuhiro; Pejchal, Jan; Kamada, Kei; Yokota, Yuui; Yoshikawa, Akira

2014-10-01

Cr-doped (GdX Y1-X)3Al5O12 (X = 0, 0.25, 0.50) crystals prepared by the micro-pulling down method were investigated to develop a infra-red scintillator for implantable patient dosimeter in radiation therapy. In order to evaluate their optical and scintillation performance, the following properties were measured: (i) transmittance between ultra-violet and near-infra red region, (ii) photoluminescence spectra under Xe-lamp excitation, and (iii) X-ray excited radio-luminescence spectra. Cr:Y3Al5O12 and Cr:(Gd0.25 Y0.75)3Al5O12 crystals showed increased transmittance of 80%, while Cr:(Gd0.50 Y0.50)3Al5O12 had a lower transmittance of 40% due to its polycrystalline structure. In addition, all the Cr:(GdX Y1-X)3Al5O12 crystals showed sharp scintillation luminescence peaks ascribed to Cr3+ d-d transitions. Therefore, these results suggested that Cr:Y3Al5O12 and Cr:(Gd0.25 Y0.75)3Al5O12 crystals can be candidate materials for the dosimeter use.

Effects of water vapor on protectiveness of Cr2O3 scale at 1073 K

NASA Astrophysics Data System (ADS)

Arifin, S. K.; Hamid, M.; Berahim, A. N.; Ani, M. H.

2018-01-01

Fe-Cr alloy is commonly being used as boiler tube’s material. It is subjected to prolonged exposure to water vapor oxidation. The ability to withstand high temperature corrosion can normally be attributed to the formation of a dense and slow growing Cr-rich-oxide scale known as chromia, Cr2O3 scale. However, oxidation may limit the alloy’s service lifetime due to decreasing of its protectiveness capability. This paper is to presents an experimental study of thermo gravimetric and Fourier transform infrared analysis of Cr2O3 at 1073 K in dry and humid environment. Samples were used from commercially available Cr2O3 powder. It was cold-pressed into pellet shape of 12 mm diameter and 3 mm thick with hydraulic press for 40 min at 48 MPa. It then sintered at 1173 K in inert gas environment for 8 h. The samples are cooled and placed in 5 mm diameter platinum pan. It is subjected to reaction in dry and wet environment at 1073 K by applying 100%-Ar and Ar-5%H2 gas. Each reaction period is 48 h utilizing Thermo Gravimetric Analyzer, TGA to quantify the mass changes. After the reaction, the samples then characterized with Fourier Transform Infrared Spectroscopy, FT-IR and Field Emission Electron Scanning Microscopy, FE-SEM. The TGA result shows mass decreasing ratio of Cr2O3 in wet (PH2O = 9.5x105Pa) and dry environment is at a factor of 1.2 while parabolic rate at 1.4. FT-IR results confirmed that water vapor significantly broaden the peaks, thus promotes the volatilization of Cr2O3 in wet sample. FESEM shows mostly packed and intact in dry while in wet sample, slightly porous particle arrangement compare to dry. It is concluded that water vapor species decreased Cr2O3 protectiveness capability.

Casting technology for ODS steels - the internal oxidation approach

NASA Astrophysics Data System (ADS)

Miran, S.; Franke, P.; Möslang, A.; Seifert, H. J.

2017-07-01

The formation of stainless ODS steel by internal oxidation of as-cast steel has been investigated. An alloy (Fe-16Cr-0.2Al-0.05Y, wt.%) was embedded in a (VO/V2O3) powder mixture serving as an oxygen activity buffer and heat treated at 1450 °C for 20 h. After this procedure no oxide scale was present on the surface of the sample but a zone of internal oxidation with a depth of about 2000 μm was formed in its interior. The precipitates within this zone consisted of two types of oxides. Discrete aluminium oxide particles with a size of a few micrometres were formed in outer regions of the specimen. Finer aluminium-yttrium oxides with a size of some hundred nanometres were mainly precipitated in inner regions of the sample. The results can be considered as a promising step towards an alternative production route for ODS steels.

Spinel, YbFe2O4, and Yb2Fe3O7 types of structure for compounds in the In2O3 and Sc2O3-A2O3-BO systems (A: Fe, Ga, or Al; B: Mg, Mn, Fe, Ni, Cu, or Zn) at temperatures over 1000C

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

Kimizuka, N.; Mohri, T.

In the Sc2O3-Ga2O3-CuO, Sc2O3-Ga2O3-ZnO, and Sc2O3-Al2O3-CuO systems, ScGaCuO4, ScGaZnO4, and ScAlCuO4 with the YbFe2O4-type structure and Sc2Ga2CuO7 with the Yb2Fe3O7-type structure were obtained. In the In2O3-A2O3-BO systems (A: Fe, Ga, or Al; B: Mg, Mn, Fe, Ni, or Zn), InGaFeO4, InGaNiO4, and InFeT MgO4 with the spinel structure, InGaZnO4, InGaMgO4, and InAl-CuO4 with the YbFe2O4-type structure, and In2Ga2MnO7 and In2Ga2ZnO7 with the Yb2Fe3O7-type structure were obtained. InGaMnO4 and InFe2O4 had both the YbFe2O4-type and spinel-type structures. The revised classification for the crystal structures of AB2O4 compounds is presented, based upon the coordination numbers of constituent A and B cations. 5more » references, 2 tables.« less

Characterisation of the Microstructure of Fe–Al/Cr3C2 Composite Coatings

NASA Astrophysics Data System (ADS)

Liu, Xiaoming; JunhuiDong; Yang, Yuehong; Sun, Changming; Tuo, Ya; Li, Yanwei

2018-03-01

An Fe-Al/Cr3C2 composite coating is investigated to assess its suitability for treating high-temperature components in a power plant. The coating exhibits excellent high- temperature properties including good corrosion, erosion and friction-wear resistance at high temperatures. To deduce the formation of the Fe-Al/Cr3C2 composite coating and to provide an adequate theoretical basis for its extensive application, its structures and microstructures are investigated. Scanning electronic microscopy (SEM)is used along with energy-dispersive X-ray analysis (EDAX) to analyse the surface of the coating. Energy-dispersive spectroscopy (EDS) is used to analyse the cross-section of the coating. Further, X-ray diffraction (XRD) and transmission electron microscopy (TEM) are used to analyse the phases and micro structural features within the coating. The results reveal that the basic phases are two orderly inter metallic compounds (Fe3Al and FeAl) and that the reinforcement includes two oxides (Al2O3 and Cr2O3) as well as substantial quantities of Cr3C2. Al2O3is formed using two mechanisms: oxidation of aluminium in the coating and separation of Al2O3crystals from Fe3Al and FeAl. The grain size of Al2O3 and Cr2O3 in the coatings is nanometric. These two oxides may increase the corrosion-erosion and wear resistances of the coating when they are used as reinforcements.

Nanostructured and Conventional Cr2O3, TiO2, and TiO2-Cr2O3 Thermal-Sprayed Coatings for Metal-Seated Ball Valve Applications in Hydrometallurgy

NASA Astrophysics Data System (ADS)

Vernhes, Luc; Bekins, Craig; Lourdel, Nicolas; Poirier, Dominique; Lima, Rogerio S.; Li, Duanjie; Klemberg-Sapieha, Jolanta E.

2016-06-01

A detailed characterization project was undertaken by Velan, an international industrial valve designer and manufacturer, in collaboration with the National Research Council of Canada, Boucherville, and Polytechnique Montréal. The purpose was to assess the mechanical and tribological resistances of promising ceramic coatings for hydrometallurgy applications, including a novel n-TiO2-Cr2O3 blend. Hardness and shear strength were determined using microhardness indentation testers and universal tensile testing equipment. Wear resistance of the coatings under sliding wear, abrasion, and galling conditions were measured by standard pin-on-disk tests, abrasion tests, and custom-designed galling tests. The main result is that the synergy between Cr2O3 and n-TiO2 produced abrasion performance exceeding that of these materials alone. Also, an optimized balance between the hard and brittle Cr2O3 phases and the soft and ductile n-TiO2 phases resulted in higher abrasion, sliding, and galling resistance. The novel n-TiO2-Cr2O3 blend is therefore considered as a promising evolution of the current TiO2-Cr2O3 blend.

Interdiffusion behavior of U3Si2 with FeCrAl via diffusion couple studies

NASA Astrophysics Data System (ADS)

Hoggan, Rita E.; He, Lingfeng; Harp, Jason M.

2018-04-01

Uranium silicide (U3Si2) is a candidate to replace uranium oxide (UO2) as light water reactor (LWR) fuel because of its higher thermal conductivity and higher fissile density relative to the current standard, UO2. A class of Fe, Cr, Al alloys collectively known as FeCrAl alloys that have superior mechanical and oxidation resistance are being considered as an alternative to the standard Zirconium based LWR cladding. The interdiffusion behavior between FeCrAl and U3Si2 is investigated in this study. Commercially available FeCrAl, along with U3Si2 pellets were placed in diffusion couples. Individual tests were ran at temperatures ranging from 500 °C to 1000 °C for 30 h and 100 h. The interdiffusion was analyzed with an optical microscope, scanning electron microscope, and transmission electron microscope. Uniform and planar interdiffusion layers along the material interface were illustrated with backscatter electron micrographs and energy-dispersive X-ray spectroscopy. Electron diffraction was used to validate phases present in the system, including distinct U2Fe3Si/UFe2 and UFeSi layers at the material interface. U and Fe diffused far into the FeCrAl and U3Si2 matrix, respectively, in the higher temperature tests. No interaction was observed at 500 °C for 30 h.

Structure and magnetic properties of Sm{sub 3}(Fe{sub 0.85}Cr{sub 0.15}){sub 29}N{sub y} alloys

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

Suzuki, Shunji; Suzuki, Shinya; Kawasaki, Masahito

1995-11-01

The structure and magnetic properties of Sm{sub 3}(Fe{sub 0.85}Cr{sub 0.15}){sub 29}N{sub y} alloy were investigated. It was found that the alloy had the R{sub 3}(Fe,M){sub 29}-type structure and absorbed 4--5 wt.% of nitrogen which exceeds 4 nitrogen atoms per unit formula. The coercivity of the powder was greatly influenced by the nitrogen content and annealing. The Sm{sub 3}(Fe{sub 0.85}Cr{sub 0.15}){sub 29}N{sub y} alloy powder with 4.1 wt.% of nitrogen showed a high coercivity of 552 kA/m without fine grinding.

Coordinatively Unsaturated Metal-Organic Frameworks M3(btc)2 (M = Cr, Fe, Co, Ni, Cu, and Zn) Catalyzing the Oxidation of CO by N2O: Insight from DFT Calculations.

PubMed

Ketrat, Sombat; Maihom, Thana; Wannakao, Sippakorn; Probst, Michael; Nokbin, Somkiat; Limtrakul, Jumras

2017-11-20

The oxidation of CO by N 2 O over metal-organic framework (MOF) M 3 (btc) 2 (M = Fe, Cr, Co, Ni, Cu, and Zn) catalysts that contain coordinatively unsaturated sites has been investigated by means of density functional theory calculations. The reaction proceeds in two steps. First, the N-O bond of N 2 O is broken to form a metal oxo intermediate. Second, a CO molecule reacts with the oxygen atom of the metal oxo site, forming one C-O bond of CO 2 . The first step is a rate-determining step for both Cu 3 (btc) 2 and Fe 3 (btc) 2 , where it requires the highest activation energy (67.3 and 19.6 kcal/mol, respectively). The lower value for the iron compound compared to the copper one can be explained by the larger amount of electron density transferred from the catalytic site to the antibonding of N 2 O molecules. This, in turn, is due to the smaller gap between the highest occupied molecular orbital (HOMO) of the MOF and the lowest unoccupied molecular orbital (LUMO)  of N 2 O for Fe 3 (btc) 2 compared to Cu 3 (btc) 2 . The results indicate the important role of charge transfer for the N-O bond breaking in N 2 O. We computationally screened other MOF M 3 (btc) 2 (M = Cr, Fe, Co, Ni, Cu, and Zn) compounds in this respect and show some relationships between the activation energy and orbital properties like HOMO energies and the spin densities of the metals at the active sites of the MOFs.

Electrical conductivity and magnetic susceptibility of rutile type CrVNbO/sub 6/, FeVNbO/sub 6/ and NiV/sub 2/Nb/sub 2/O/sub 10/

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

Greenblatt, M.; McCarroll, W.H.; Nair, K.R.

1984-06-01

Electric conductivity (77-300K) and magnetic susceptibility (4.2-300K) of rutile type polycrystalline samples of CrVNbO/sub 6/, FeVNbO/sub 6/ and NiV/sub 2/Nb/sub 2/O/sub 10/ are reported. All three compounds are n-type semiconductors with room-temperature resistivities of the order of 10/sup 2/-10/sup 3/ ohm-cm. CrVNbO/sub 6/ shows ferromagnetic coupling in the high-temperature region and orders antiferromagnetically below 10K. FeVNbO/sub 6/ transforms to a spin glass state below 20K. NiV/sub 2/Nb/sub 2/O/sub 10/ shows evidence of weak antiferromagnetic interactions. The transport properties of the compounds are discussed in terms of structural properties and unpaired d electrons present on the respective transition metal ions.

[CrIII(NCMe)6]3+--a labile CrIII source enabling formation of Cr[M(CN)6] (M=V, Cr, Mn, Fe) Prussian blue-type magnetic materials.

PubMed

Nelson, Kendric J; Daniels, Matthew C; Reiff, William M; Troff, Shayla A; Miller, Joel S

2007-11-26

The kinetic inertness of the hexaaquachromium(III) (kH2O=2.4x10(-6) s(-1)) has led to challenges with respect to incorporating CrIII ions into Prussian blue-type materials; however, hexakis(acetonitrile)chromium(III) was shown to be substantially more labile (approximately 10(4) times) and enables a new synthetic route for the synthesis of these materials via nonaqueous solvents. The synthesis, spectroscopic, and physical properties of Cr[M(CN)6] (M=V, Cr, Mn, Fe) Prussian blue analogues synthesized from [CrIII(NCMe)6]3+ and the corresponding [MIII(CN)6]3- are described. All these compounds {(NEt4)0.02CrIII[VIII(CN)6]0.98(BF4)(0.08).0.10MeCN (1), CrIII[CrIII(CN)6].0.16MeCN (2), CrIII[MnIII(CN)6].0.10MeCN (3), and (NEt4)0.04CrIII0.64CrIV0.40[FeII(CN)6]0.40[FeIII(CN)6]0.60(BF4)(0.16).1.02MeCN (4)} are ferrimagnets exhibiting cluster-glass behavior. Strong antiferromagnetic coupling was observed for M=V, Cr, and Mn with Weiss constants (theta) ranging from -132 to -524 K; and in 2, where the strongest coupling is observed (theta=-524 K), the highest Tc (110 K) value was observed. Weak antiferromagnetic coupling was observed for M=Fe (theta=-12 K) leading to the lowest Tc (3 K) value in this series. Weak coupling and the low Tc value observed in 4 were additionally contributed by the presence of both [FeII(CN)6]4- and [FeIII(CN)6]3- as confirmed by 57Fe-Mössbauer spectroscopy.

Superconducting transition temperature in the Y(1-x)M(x)Ba2Cu3O(y) system

NASA Astrophysics Data System (ADS)

Suzuki, Takeyuki; Yamazaki, Tsutomu; Sekine, Ryuuta; Koukitsu, Akinori; Seki, Hisashi

1989-04-01

Experimental results are presented for the inclusion of compositional additives, M, to the sintered high-temperature superconductor Y(1-x)M(x)Ba2Cu3O(y); M can be the oxides of Mg, Ce, Gd, Yb, Ti, Zr, V, Nb, Ta, Cr, Mo, W, Mn, Fe, Co, Ni, Zn, B, Al, Ga, In, Si, Ge, Sn, Pb, Sb, Bi, and Te, as well as Li, Na, K, Ca, Sr, and La carbonates. Temperature dependence of the electrical resistance was measured down to about 80 K. Attention is given to the influence of ionic radius and the valence of the M species.

Microscopy of Alloy Formation on Arc Plasma Sintered Oxide Dispersion Strengthen (ODS) Steel

NASA Astrophysics Data System (ADS)

Bandriyana, B.; Sujatno, A.; Salam, R.; Dimyati, A.; Untoro, P.

2017-07-01

The oxide dispersed strengthened (ODS) alloys steel developed as structure material for nuclear power plants (NPP) has good resistant against creep due to their unique microstructure. Microscopy investigation on the microstructure formation during alloying process especially at the early stages was carried out to study the correlation between structure and property of ODS alloys. This was possible thanks to the arc plasma sintering (APS) device which can simulate the time dependent alloying processes. The ODS sample with composition of 88 wt.% Fe and 12 wt.% Cr powder dispersed with 1 wt.% ZrO2 nano powder was mixed in a high energy milling, isostatic compressed to form sample coins and then alloyed in APS. The Scanning Electron Microscope (SEM) with X-ray Diffraction Spectroscopy (EDX) line scan and mapping was used to characterize the microstructure and elemental composition distribution of the samples. The alloying process with unification of each Fe and Cr phase continued by the alloying formation of Fe-Cr by inter-diffusion of both Fe and Cr and followed by the improvement of the mechanical properties of hardness.

Dislocation loop evolution during in-situ ion irradiation of model FeCrAl alloys

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

Haley, Jack C.; Briggs, Samuel A.; Edmondson, Philip D.

Model FeCrAl alloys of Fe-10%Cr-5%Al, Fe-12%Cr-4.5%Al, Fe-15%Cr-4%Al, and Fe-18%Cr-3%Al (in wt %) were irradiated with 1 MeV Kr++ ions in-situ with transmission electron microscopy to a dose of 2.5 displacements per atom (dpa) at 320 °C. In all cases, the microstructural damage consisted of dislocation loops with ½< 111 > and <100 > Burgers vectors. The proportion of ½< 111 > dislocation loops varied from ~50% in the Fe-10%Cr-5%Al model alloy and the Fe-18Cr%-3%Al model alloy to a peak of ~80% in the model Fe-15%Cr-4.5%Al alloy. The dislocation loop volume density increased with dose for all alloys and showed signsmore » of approaching an upper limit. The total loop populations at 2.5 dpa had a slight (and possibly insignificant) decline as the chromium content was increased from 10 to 15 wt %, but the Fe-18%Cr-3%Al alloy had a dislocation loop population ~50% smaller than the other model alloys. As a result, the largest dislocation loops in each alloy had image sizes of close to 20 nm in the micrographs, and the median diameters for all alloys ranged from 6 to 8 nm. Nature analysis by the inside-outside method indicated most dislocation loops were interstitial type.« less

Dislocation loop evolution during in-situ ion irradiation of model FeCrAl alloys

DOE PAGES

Haley, Jack C.; Briggs, Samuel A.; Edmondson, Philip D.; ...

2017-07-06

Model FeCrAl alloys of Fe-10%Cr-5%Al, Fe-12%Cr-4.5%Al, Fe-15%Cr-4%Al, and Fe-18%Cr-3%Al (in wt %) were irradiated with 1 MeV Kr++ ions in-situ with transmission electron microscopy to a dose of 2.5 displacements per atom (dpa) at 320 °C. In all cases, the microstructural damage consisted of dislocation loops with ½< 111 > and <100 > Burgers vectors. The proportion of ½< 111 > dislocation loops varied from ~50% in the Fe-10%Cr-5%Al model alloy and the Fe-18Cr%-3%Al model alloy to a peak of ~80% in the model Fe-15%Cr-4.5%Al alloy. The dislocation loop volume density increased with dose for all alloys and showed signsmore » of approaching an upper limit. The total loop populations at 2.5 dpa had a slight (and possibly insignificant) decline as the chromium content was increased from 10 to 15 wt %, but the Fe-18%Cr-3%Al alloy had a dislocation loop population ~50% smaller than the other model alloys. As a result, the largest dislocation loops in each alloy had image sizes of close to 20 nm in the micrographs, and the median diameters for all alloys ranged from 6 to 8 nm. Nature analysis by the inside-outside method indicated most dislocation loops were interstitial type.« less

Structure, magnetism and electronic properties in 3d-5d based double perovskite ({Sr_{1-x}} Y x )2FeIrO6

NASA Astrophysics Data System (ADS)

Kharkwal, K. C.; Pramanik, A. K.

2017-12-01

The 3d-5d based double perovskites are of current interest as they provide model systems to study the interplay between electronic correlation (U) and spin-orbit coupling (SOC). Here, we report detailed structural, magnetic and transport properties of doped double perovskite material (Sr1-x Y x )2FeIrO6 with x ≤slant 0.2 . With substitution of Y, the system retains its original crystal structure but structural parameters change with x in nonmonotonic fashion. The magnetization data for Sr2FeIrO6 show antiferromagnetic type magnetic transition around 45 K however, a close inspection of the data indicates a weak magnetic phase transition around 120 K. No change of structural symmetry has been observed down to low temperature, although the lattice parameters show sudden changes around the magnetic transitions. Sr2FeIrO6 shows an insulating behavior over the whole temperature range, which nevertheless does not change with Y substitution. The nature of charge conduction is found to follow thermally activated Mott’s variable range hopping and power law behavior for parent and doped samples, respectively. Interestingly, evolution of structural, magnetic and transport behavior in (Sr1-x Y x )2FeIrO6 is observed to reverse with x > 0.1 , which is believed to arise due to a change in the transition metal ionic state.

Neutron and X-ray studies in suppressing orbital order in FeV2 O4 with Cr doping

NASA Astrophysics Data System (ADS)

Reig-I-Plessis, Dalmau; Wen, Zhangsu; Thaler, Alexander; Garlea, Vasile O.; Zhou, Haidong; Ruff, Jacob; MacDougall, Gregory

2015-03-01

FeV2O4 is a spinel compound with an orbitally active V3+ cation on a frustrated pyrochlore sublattice and Jahn-Teller active Fe3+ on a diamond sublattice. Previous studies show that this material has three structural and two magnetic transitions, and that orbital order leads to coupling between the spin and lattice degrees-of-freedom. The opposite end of the doping series is the multiferroic, FeCr2O4, which has spin, but no orbital degree of freedom on the Cr3+ and only two structural transitions. Although both materials show a higher temperature collinear ferrimagnetic state and a non-collinear phase at lower temperature, the physics must be different since the canting transition in FeV2O4 is associated with the orbital order at the lowest structural transition. In this talk, I will present the results of synchrotron X-ray and neutron powder diffraction studies of the structural and magnetic transitions in the doping series FeV2-xCrxO4. Specifically, I will comment on the doping-temperature phase diagram we extract from these measurements, and the region of co-existence between distinct non-collinear spin orders which exist at finite doping. This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Award Number DE-FG02-07ER46453.

Structure, magnetism and electronic properties in 3d-5d based double perovskite ([Formula: see text]Y x )2FeIrO6.

PubMed

Kharkwal, K C; Pramanik, A K

2017-11-13

The 3d-5d based double perovskites are of current interest as they provide model systems to study the interplay between electronic correlation (U) and spin-orbit coupling (SOC). Here, we report detailed structural, magnetic and transport properties of doped double perovskite material ([Formula: see text]Y x ) 2 FeIrO 6 with [Formula: see text]. With substitution of Y, the system retains its original crystal structure but structural parameters change with x in nonmonotonic fashion. The magnetization data for Sr 2 FeIrO 6 show antiferromagnetic type magnetic transition around 45 K; however, a close inspection of the data indicates a weak magnetic phase transition around 120 K. No change of structural symmetry has been observed down to low temperature, although the lattice parameters show sudden changes around the magnetic transitions. Sr 2 FeIrO 6 shows an insulating behavior over the whole temperature range, which nevertheless does not change with Y substitution. The nature of charge conduction is found to follow thermally activated Mott's variable range hopping and power law behavior for parent and doped samples, respectively. Interestingly, evolution of structural, magnetic and transport behavior in ([Formula: see text]Y x ) 2 FeIrO 6 is observed to reverse with [Formula: see text], which is believed to arise due to a change in the transition metal ionic state.

Formation of Cr2O3 Diffusion Barrier Between Cr-Contained Stainless Steel and Cold-Sprayed Ni Coatings at High Temperature

NASA Astrophysics Data System (ADS)

Xu, Ya-Xin; Luo, Xiao-Tao; Li, Cheng-Xin; Yang, Guan-Jun; Li, Chang-Jiu

2016-02-01

A novel approach to prepare a coating system containing an in situ grown Cr2O3 diffusion barrier between a nickel top layer and 310SS was reported. Cold spraying was employed to deposit Ni(O) interlayer and top nickel coating on the Cr-contained stainless steel substrate. Ni(O) feedstock was prepared by mechanical alloying of pure nickel powders in ambient atmosphere, acting as an oxygen provider. The post-spray annealing was adopted to grow in situ Cr2O3 layer between the substrate and nickel coating. The results revealed that the diffusible oxygen can be introduced into nickel powders by mechanical alloying. The oxygen content increases to 3.25 wt.% with the increase of the ball milling duration to 8 h, while Ni(O) powders maintain a single phase of Ni. By annealing the sample in Ar atmosphere at 900 °C, a continuous Cr2O3 layer of 1-2 μm thick at the interface between 310SS and cold-sprayed Ni coating is formed. The diffusion barrier effect evaluation by thermal exposure at 750 °C shows that the Cr2O3 oxide layer effectively suppresses the outward diffusion of Fe and Cr in the substrate effectively.

High temperature oxidation behavior of ODS steels

NASA Astrophysics Data System (ADS)

Kaito, T.; Narita, T.; Ukai, S.; Matsuda, Y.

2004-08-01

Oxide dispersion strengthened (ODS) steels are being developing for application as advanced fast reactor cladding and fusion blanket materials, in order to allow increased operation temperature. Oxidation testing of ODS steel was conducted under a controlled dry air atmosphere to evaluate the high temperature oxidation behavior. This showed that 9Cr-ODS martensitic steels and 12Cr-ODS ferritic steels have superior high temperature oxidation resistance compared to 11 mass% Cr PNC-FMS and 17 mass% Cr ferritic stainless steel. This high temperature resistance is attributed to earlier formation of the protective α-Cr 2O 3 on the outer surface of ODS steels.

The synthesis and the magnetic properties of Gd 3+-doped Fe xCo 1-x/Co yFe 3-yO 4 micro-octahedrons composites

NASA Astrophysics Data System (ADS)

Wang, Qin; Li, Shuiming; Wu, Aibing; Yang, Hua