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Sample records for mn fe ni

  1. Ni spin switching induced by magnetic frustration in FeMn/Ni/Cu(001)

    SciTech Connect

    Wu, J.; Choi, J.; Scholl, A.; Doran, A.; Arenholz, E.; Hwang, Chanyong; Qiu, Z. Q.

    2009-03-08

    Epitaxially grown FeMn/Ni/Cu(001) films are investigated by Photoemission Electron Microscopy and Magneto-Optic Kerr Effect. We find that as the FeMn overlayer changes from paramagnetic to antiferromagnetic state, it could switch the ferromagnetic Ni spin direction from out-of-plane to in-plane direction of the film. This phenomenon reveals a new mechanism of creating magnetic anisotropy and is attributed to the out-of-plane spin frustration at the FeMn-Ni interface.

  2. Ferromagnetic interactions and martensitic transformation in Fe doped Ni-Mn-In shape memory alloys

    SciTech Connect

    Lobo, D. N.; Priolkar, K. R.; Emura, S.; Nigam, A. K.

    2014-11-14

    The structure, magnetic, and martensitic properties of Fe doped Ni-Mn-In magnetic shape memory alloys have been studied by differential scanning calorimetry, magnetization, resistivity, X-ray diffraction (XRD), and EXAFS. While Ni{sub 2}MnIn{sub 1−x}Fe{sub x} (0 ≤ x ≤ 0.6) alloys are ferromagnetic and non martensitic, the martensitic transformation temperature in Ni{sub 2}Mn{sub 1.5}In{sub 1−y}Fe{sub y} and Ni{sub 2}Mn{sub 1.6}In{sub 1−y}Fe{sub y} increases for lower Fe concentrations (y ≤ 0.05) before decreasing sharply for higher Fe concentrations. XRD analysis reveals presence of cubic and tetragonal structural phases in Ni{sub 2}MnIn{sub 1−x}Fe{sub x} at room temperature with tetragonal phase content increasing with Fe doping. Even though the local structure around Mn and Ni in these Fe doped alloys is similar to martensitic Mn rich Ni-Mn-In alloys, presence of ferromagnetic interactions and structural disorder induced by Fe affect Mn-Ni-Mn antiferromagnetic interactions resulting in suppression of martensitic transformation in these Fe doped alloys.

  3. Magnetism of NiMn2O4-Fe3O4 spinel interfaces

    SciTech Connect

    Arenholz, Elke; Nelson-Cheeseman, B. B.; Chopdekar, R. V.; Bettinger, J. S.; Arenholz, E.; Suzuki, Y.

    2007-09-13

    We investigate the magnetic properties of the isostructural spinel-spinel interface of NiMn{sub 2}O{sub 4}(NMO)-Fe{sub 3}O{sub 4}. Although the magnetic transition temperature of the NMO film is preserved, both bulk and interface sensitive measurements demonstrate that the interface exhibits strong interfacial magnetic coupling up to room temperature. While NMO thin films have a ferrimagnetic transition temperature of 60 K, both NiFe{sub 2}O{sub 4} and MnFe{sub 2}O{sub 4} are ferrimagnetic at room temperature. Our experimental results suggest that these magnetic properties arise from a thin interdiffused region of (Fe,Mn,Ni){sub 3}O{sub 4} at the interface, leading to Mn and Ni magnetic properties similar to those of MnFe{sub 2}O{sub 4} and NiFe{sub 2}O{sub 4}.

  4. Precipitation and fracture behaviour of Fe-Mn-Ni-Al alloys

    NASA Astrophysics Data System (ADS)

    Heo, Yoon-Uk; Lee, Hu-Chul

    2013-12-01

    The effects of Al addition on the precipitation and fracture behaviour of Fe-Mn-Ni alloys were investigated. With the increasing of Al concentration, the matrix and grain boundary precipitates changed from L10 θ-MnNi to B2 Ni2MnAl phase, which is coherent and in cube-to-cube orientation relationship with the α‧-matrix. Due to the suppression of the θ-MnNi precipitates at prior austenite grain boundaries (PAGBs), the fracture mode changed from intergranular to transgranular cleavage fracture. Further addition of Al resulted in the discontinuous growth of Ni2MnAl precipitates in the alloy containing 4.2 wt.% Al and fracture occurred by void growth and coalescence, i.e. by ductile dimple rupture. The transition of the fracture behaviour of the Fe-Mn-Ni-Al alloys is discussed in relation to the conversion of the precipitates and their discontinuous precipitation behaviour at PAGBs.

  5. Electronic structure and magnetic properties of Mn, Co, and Ni substitution of Fe in Fe4N

    NASA Astrophysics Data System (ADS)

    Monachesi, Patrizia; Björkman, Torbjörn; Gasche, Thomas; Eriksson, Olle

    2013-08-01

    The magnetic properties of Mn, Co, and Ni substituted Fe4N are calculated from first principles theory. It is found that the generalized gradient approximation reproduces with good accuracy the magnetic moment and equilibrium volume for the parent Fe4N structure, with the atomic moment largest for the Fe atom furthest away from the N atom (Fe I site), approaching a value of 3 μB/atom, whereas the Fe atom closer to the N atom (Fe II site) has a moment closer to that of bcc Fe. The substitution of Fe for Mn, Co, or Ni, shows an intricate behavior in which the Mn substitution clearly favors the Fe II site, Ni favors substitution on the Fe I site, and Co shows no strong preference for either lattice site. The Ni and Co substitution results in a ferromagnetic coupling to the Fe atoms, whereas Mn couples antiferromagnetically on the Fe II site and ferromagnetically on the Fe I site. For all types of doping, the total magnetic moment is enhanced compared to Fe4N only in the energetically very unfavorable case of Mn doping at the Fe I site.

  6. 90° magnetic coupling in a NiFe/FeMn/biased NiFe multilayer spin valve component investigated by polarized neutron reflectometry

    SciTech Connect

    Callori, S. J. Bertinshaw, J.; Cortie, D. L.; Cai, J. W. Zhu, T.; Le Brun, A. P.; Klose, F.

    2014-07-21

    We have observed 90° magnetic coupling in a NiFe/FeMn/biased NiFe multilayer system using polarized neutron reflectometry. Magnetometry results show magnetic switching for both the biased and free NiFe layers, the latter of which reverses at low applied fields. As these measurements are only capable of providing information about the total magnetization within a sample, polarized neutron reflectometry was used to investigate the reversal behavior of the NiFe layers individually. Both the non-spin-flip and spin-flip neutron reflectometry signals were tracked around the free NiFe layer hysteresis loop and were used to detail the evolution of the magnetization during reversal. At low magnetic fields near the free NiFe coercive field, a large spin-flip signal was observed, indicating magnetization aligned perpendicular to both the applied field and pinned layer.

  7. Microstructure and mechanical behavior of Fe30Ni 20Mn35Al15 and modified Fe30Ni 20Mn35Al15 alloys

    NASA Astrophysics Data System (ADS)

    Meng, Fanling

    A novel alloy with nominal composition Fe30Ni 20Mn35Al15 has been found to show good room-temperature strength and significant ductility. The current project is to study the wear properties of as-cast Fe30Ni20Mn35Al 15 and discuss the possibility of further improving the mechanical properties of this alloy. The dry sliding wear of as-cast Fe30Ni20Mn 35Al15 was studied in in four different environments, i.e. air, dry oxygen, dry argon and a 4% hydrogen/nitrogen mixture. Two-body and three-body abrasive wear mechanism was found for tests in oxygen-containing environments, while plastic flow mechanisms dominated the wear behavior for tests in argon. Hydrogen embrittlement led to 1000% increase of wear loss by causing more rapid crack nucleation of the asperities. The effects of different additions of chromium (≤ 8 at. %) on both microstructure and fracture behavior of Fe30Ni20Mn 35Al15 were investigated. All alloys consisted of (Ni, Al)-rich B2 and (Fe, Mn)-rich f.c.c. phases with most of the Cr residing in the f.c.c. phase. The addition of 6 at. % Cr not only increased the room temperature ductility, but also completely suppressed the environmental embrittlement observed in the Cr-free alloy at low strain rates. The effects of varying the Al concentration on the microstructures and tensile properties of six two-phase FeNiMnAl alloys with a composition close to Fe30Ni20Mn35Al15 were studied. The increase in f.c.c. volume fraction and f.c.c. lamellar width led to an increase in ductility and a decrease in yield strength. The correlation between the yield stress and f.c.c. lamellar spacing lambda obeyed a Hall-Petch-type relationship, i.e. sigmay=252+0.00027lambda-1, where the units for sigmay and lambda are MPa and meter, respectively. FeNiMnAl alloy with B2 and f.c.c. phases aligned along was reported to show high strength at room temperature. The mechanical properties of Fe 28Ni18Mn33Al21, consisting of (Ni, Al)-enriched B2 and (Fe, Mn)-enriched f.c.c. phases with

  8. Exchange bias in sputtered FeNi/FeMn systems: Effect of short low-temperature heat treatments

    NASA Astrophysics Data System (ADS)

    Savin, Peter; Guzmán, Jorge; Lepalovskij, Vladimir; Svalov, Andrey; Kurlyandskaya, Galina; Asenjo, Agustina; Vas'kovskiy, Vladimir; Vazquez, Manuel

    2016-03-01

    Short (5 min) post-deposition thermal treatments under magnetic field at low temperature (up to 200 °C) performed in exchange-coupled FeNi(40 nm)/FeMn(20 nm) bilayer thin films prepared by magnetron sputtering are shown to be effective to significantly modify their exchange field (from around 40 Oe down to 27 Oe) between FeNi and FeMn layers. A similar exchange field decrease was observed for the first deposited FeNi layer of the FeNi(40 nm)/FeMn(20 nm)/FeNi(40 nm) trilayer films after the same thermal treatments. The exchange field value for the second FeNi layer was not substantially changed. The X-ray diffraction patterns indicates that such a heat treatment has no effect on the grain size and crystalline texture of the films, while atomic force microscope studies reveal an increase of the surface roughness after the treatment which is more noticeable in the case of the trilayer film. Analysis of the experimental results leads us to conclude that the variations of the exchange field after heat treatment are likely caused by a modification of interfacial roughness and/or interfacial magnetic structure, but unlikely by the changes in the microstructure and/or changes of composition of the antiferromagnetic FeMn layer.

  9. Discontinuous coarsening behavior of Ni(2)MnAl intermetallic compound during isothermal aging treatment of Fe-Mn-Ni-Al alloys.

    PubMed

    Heo, Yoon-Uk; Takeguchi, Masaki; Furuya, Kazuo; Lee, Hu-Chul

    2010-08-01

    The discontinuous reaction of the Ni(2)MnAl intermetallic phase was investigated during the aging of a solution-treated Fe-8.3Mn-8.2Ni-4.2Al alloy. During aging, Ni(2)MnAl lamellae formed at the prior austenite grain boundaries and twin boundaries and grew into the neighboring grains. The presence of continuously precipitated fine Ni(2)MnAl particles before the growth of the discontinuously precipitated lamellae was confirmed by dark-field transmission electron microscopy, and it was concluded that the present reaction is a type of discontinuous coarsening process, alpha' + Ni(2)MnAl (continuous precipitation) --> alpha + Ni(2)MnAl (discontinuous coarsening). The chemical driving force and the reduction of the total coherent strain energy were suggested to be the driving force for the discontinuous coarsening reaction. PMID:20551447

  10. Ternary NiFeMn layered double hydroxides as highly-efficient oxygen evolution catalysts.

    PubMed

    Lu, Zhiyi; Qian, Li; Tian, Yang; Li, Yaping; Sun, Xiaoming; Duan, Xue

    2016-01-18

    Layered double hydroxides (LDHs) are a family of layer materials that receive heightened attention. Herein a ternary NiFeMn-LDH is investigated with superior oxygen evolution activity, which is attributed to the Mn(4+) doping in the intralayer, which modifies the electronic structure and improves the conductivity of the electrocatalyst. PMID:26579843

  11. Ductile-brittle-ductile transition and grain boundary segregation of Mn and Ni in an Fe-6Mn-12Ni alloy

    SciTech Connect

    Heo, N.H.

    1996-05-15

    Recently, Heo and Lee reported a ductile-brittle-ductile (DBD) transition in an Fe-8Mn-7Ni ternary alloy, which was caused by manganese segregation to the grain boundaries and its desegregation into the matrix. More recently Heo theoretically analyzed the nonequilibrium segregation behaviors of the elements in the Fe-8Mn-7Ni alloy. The aim of the present study is to investigate whether other Fe-6Mn-12Ni ternary alloy also shows the ductile-brittle-ductile transition, and is additionally to ascertain whether calculated results are consistent with experimental data. The study encompasses experimental procedures and a modeling based on the previous research. A general discussion will show that such an approach allows a comprehensive understanding of the ductile-brittle-ductile transition in the Fe-Mn-Ni ternary alloys.

  12. Electrical manipulation of ferromagnetic NiFe by antiferromagnetic IrMn

    NASA Astrophysics Data System (ADS)

    Tshitoyan, V.; Ciccarelli, C.; Mihai, A. P.; Ali, M.; Irvine, A. C.; Moore, T. A.; Jungwirth, T.; Ferguson, A. J.

    2015-12-01

    We demonstrate that an antiferromagnet can be employed for a highly efficient electrical manipulation of a ferromagnet. In our study, we use an electrical detection technique of the ferromagnetic resonance driven by an in-plane ac current in a NiFe/IrMn bilayer. At room temperature, we observe antidampinglike spin torque acting on the NiFe ferromagnet, generated by an in-plane current driven through the IrMn antiferromagnet. A large enhancement of the torque, characterized by an effective spin-Hall angle exceeding most heavy transition metals, correlates with the presence of the exchange-bias field at the NiFe/IrMn interface. It highlights that, in addition to the strong spin-orbit coupling, the antiferromagnetic order in IrMn governs the observed phenomenon.

  13. Structural, thermal and magnetic properties of Ni 1-xMn xFe 2O 4 nanoferrites

    NASA Astrophysics Data System (ADS)

    Shobana, M. K.; Sankar, S.

    2009-07-01

    In this paper, the structural, thermal and magnetic properties of Ni 1-xMn xFe 2O 4 are presented. It is observed that high concentration of Mn 2+ ions into NiFe 2O 4 tends to reduce the particle size. Calcination at 500 °C has resulted in the growth of Ni 1-xMn xFe 2O 4 nanoparticles, but the calcination at 900 °C has led to the evaporation of the majorities of the polyvinyl alcohol. After calcination at 900 °C, crystallographically oriented NiMnFe 2O 4 nanoparticles are formed. These Ni 1-xMn xFe 2O 4 nanoparticles show hysteresis behaviour upon magnetization. On the other hand, saturation magnetization (Ms) values decreases with increasing Mn content in ferrite due to the influence of Mn 2+ ion in the sub lattice.

  14. Observation of Precipitation Evolution in Fe-Ni-Mn-Ti-Al Maraging Steel by Atom Probe Tomography

    NASA Astrophysics Data System (ADS)

    Pereloma, E. V.; Stohr, R. A.; Miller, M. K.; Ringer, S. P.

    2009-12-01

    We describe the full decomposition sequence in an Fe-Ni-Mn-Ti-Al maraging steel during isothermal annealing at 550 °C. Following significant pre-precipitation clustering reactions within the supersaturated martensitic solid solution, (Ni,Fe)3Ti and (Ni,Fe)3(Al,Mn) precipitates eventually form after isothermal aging for ~60 seconds. The morphology of the (Ni,Fe)3Ti particles changes gradually during aging from predominantly plate-like to rod-like, and, importantly, Mn and Al were observed to segregate to these precipitate/matrix interfaces. The (Ni,Fe)3(Al,Mn) precipitates occurred at two main locations: uniformly within the matrix and at the periphery of the (Ni,Fe)3Ti particles. We relate this latter mode of precipitation to the Mn-Al segregation.

  15. Observation of Precipitation Evolution in Fe-Ni-Mn-Ti-Al Maraging Steel using Atom Probe Tomography

    SciTech Connect

    Pereloma, E. V.; Stohr, R A; Miller, Michael K; Ringer, S. P.

    2009-01-01

    We describe the full decomposition sequence in an Fe-Ni-Mn-Ti-Al maraging steel during isothermal annealing at 550 C. Following significant pre-precipitation clustering reactions within the supersaturated martensitic solid solution, (Ni,Fe){sub 3}Ti and (Ni,Fe){sub 3}(Al,Mn) precipitates eventually form after isothermal aging for {approx}60 seconds. The morphology of the (Ni,Fe){sub 3}Ti particles changes gradually during aging from predominantly plate-like to rod-like, and, importantly, Mn and Al were observed to segregate to these precipitate/matrix interfaces. The (Ni,Fe){sub 3}(Al,Mn) precipitates occurred at two main locations: uniformly within the matrix and at the periphery of the (Ni,Fe){sub 3}Ti particles. We relate this latter mode of precipitation to the Mn-Al segregation.

  16. Exchange bias effects in Heusler alloy Ni2MnAl/Fe bilayers

    NASA Astrophysics Data System (ADS)

    Tsuchiya, Tomoki; Kubota, Takahide; Sugiyama, Tomoko; Huminiuc, Teodor; Hirohata, Atsufumi; Takanashi, Koki

    2016-06-01

    Ni2MnAl Heusler alloy thin films were epitaxially grown on MgO(1 0 0) single crystal substrates by ultra-high-vacuum magnetron sputtering technique. X-ray diffraction and transmission electron microscopy observation revealed that the structures of all the Ni2MnAl thin films were B2-ordered regardless of the deposition temperature ranging from room temperature to 600 °C. The temperature dependence of electrical resistivity showed a kink about 280 K, which was consistent with a reported value of the Néel temperature for antiferromagnetic B2-Ni2MnAl. The magnetization curves of Ni2MnAl/Fe bilayer samples showed a shift caused by the interfacial exchange interaction at 10 K. The maximum value of the exchange bias field H ex was 55 Oe corresponding to the exchange coupling energy J k of 0.03 erg cm‑2.

  17. From ferromagnetic{endash}ferromagnetic to ferromagnetic{endash}antiferromagnetic exchange coupling in NiFe/MnNi bilayers

    SciTech Connect

    Spenato, David; Youssef, Jamal Ben; Le Gall, Henri; Ostorero, Jean

    2001-06-01

    The effect of the growth conditions and the Mn concentration on the exchange coupling between a ferromagnetic (F) NiFe and an antiferromagnetic (AF) MnNi layers were studied. We found that an F/AF coupling appears in the bilayers when the Mn concentration is more than 45%. Beyond this critical concentration the exchange field shows a maximum then decreases. The correlation between the exchange field and the microstructure of the film is discussed. We show that: (1) the enhancement of the exchange field is associated with the enhancement of the antiferromagnetic grain size and (2) the existence of the exchange field is associated with a third x-ray peak which may be an FeMnNi ternary allow type. This result was associated with interfacial diffusion confirmed by magnetization variation measurements before and after annealing. {copyright} 2001 American Institute of Physics.

  18. The microstructure of near-equiatomic B2/f.c.c. FeNiMnAl alloys

    SciTech Connect

    Baker, I.; Wu, H.; Wu, X.; Miller, M.K.; Munroe, P.R.

    2011-10-15

    A microstructural analysis of two FeNiMnAl alloys, Fe{sub 30}Ni{sub 20}Mn{sub 30}Al{sub 20} and Fe{sub 25}Ni{sub 25}Mn{sub 30}Al{sub 20}, was performed by a combination of atom probe tomography and transmission electron microscopy techniques. Although the microstructures of both alloys, which consist of alternating platelets aligned along < 100> of the B2-ordered phase, are similar to B2/b.c.c. two-phase alloys previously observed in the FeNiMnAl system, the two phases present in the current alloys are B2-ordered and f.c.c., with the latter phase being heavily twinned. Very fine ({approx} 5 nm) precipitates, whose chemistry was similar to that of the f.c.c. (Fe, Mn)-rich phase, were found within the B2 (Ni, Al)-rich phase in both alloys. - Highlights: {yields} The microstructures of the novel alloys Fe{sub 30}Ni{sub 20}Mn{sub 30}Al{sub 20} and Fe{sub 25}Ni{sub 25}Mn{sub 30}Al{sub 20} were characterized. {yields} Atom probe tomography and transmission electron microscopy were used in the study. {yields} A < 100>-aligned B2-ordered phase and heavily-twinned f.c.c. phase were present. {yields} Very fine (Fe, Mn)-rich precipitates were found within the B2 (Ni, Al)-rich phase.

  19. Electrochemical deposition and microstructural characterization of AlCrFeMnNi and AlCrCuFeMnNi high entropy alloy thin films

    NASA Astrophysics Data System (ADS)

    Soare, V.; Burada, M.; Constantin, I.; Mitrică, D.; Bădiliţă, V.; Caragea, A.; Târcolea, M.

    2015-12-01

    Al-Cr-Fe-Mn-Ni and Al-Cr-Cu-Fe-Mn-Ni high entropy alloy thin films were prepared by potentiostatic electrodeposition and the microstructure of the deposits was investigated. The thin films were co-deposited in an electrolyte based on a DMF (N,N-dimethylformamide)-CH3CN (acetonitrile) organic compound. The energy dispersive spectrometry investigation (EDS) indicated that all the five respectively six elements were successfully co-deposited. The scanning electron microscopy (SEM) analysis revealed that the film consists of compact and uniform particles with particle sizes of 500 nm to 4 μm. The X-ray diffractometry (XRD) patterns indicated that the as-deposited thin films were amorphous. Body-centered-cubic (BCC) structures were identified by XRD after the films were annealed at various temperatures under inert Ar atmosphere. The alloys adhesion on the substrate was determined by the scratch-testing method, with higher values obtained for the Al-Cr-Cu-Fe-Mn-Ni alloy.

  20. Post-irradiation annealing behavior of neutron-irradiated FeCu, FeMnNi and FeMnNiCu model alloys investigated by means of small-angle neutron scattering

    NASA Astrophysics Data System (ADS)

    Bergner, F.; Ulbricht, A.; Lindner, P.; Keiderling, U.; Malerba, L.

    2014-11-01

    Neutron irradiation of reactor pressure vessel steels gives rise to the formation of thermodynamically stable and unstable nano-features. The present work is focused on the stability of Cu-, Mn- and Ni-containing solute clusters in model alloys exposed to post-irradiation annealing. Fe0.1Cu, Fe1.2Mn0.7Ni and Fe1.2Mn0.7Ni0.1Cu (wt%) model alloys irradiated up to neutron exposures of 0.1 and 0.19 dpa (displacements per atom) were annealed at stepwise increasing temperatures in the range from 300 °C (i.e. near irradiation temperature) to 500 °C and characterized by means of small-angle neutron scattering (SANS). We have found characteristic differences in the annealing behavior of the alloys. In particular, there is a non-trivial (synergistic-antagonistic) interplay of Mn/Ni and Cu.

  1. The Microstructure of Near-Equiatomic B2/f.c.c. FeNiMnAl Alloys

    SciTech Connect

    Baker, Ian; Wu, H; Wu, Xiaolan; Miller, Michael K; Munroe, P R

    2011-01-01

    A microstructural analysis of two FeNiMnAl alloys, Fe{sub 30}Ni{sub 20}Mn{sub 30}Al{sub 20} and Fe{sub 25}Ni{sub 25}Mn{sub 30}Al{sub 20}, was performed by a combination of atom probe tomography and transmission electron microscopy techniques. Although the microstructures of both alloys, which consist of alternating platelets aligned along <100> of the B2-ordered phase, are similar to B2/b.c.c. two-phase alloys previously observed in the FeNiMnAl system, the two phases present in the current alloys are B2-ordered and f.c.c., with the latter phase being heavily twinned. Very fine ({approx} 5 nm) precipitates, whose chemistry was similar to that of the f.c.c. (Fe, Mn)-rich phase, were found within the B2 (Ni, Al)-rich phase in both alloys.

  2. Precipitates and Grain Boundary Strength of an Fe-Mn-Ni Alloy

    NASA Astrophysics Data System (ADS)

    Heo, Yoon-Uk; Jang, Jae Hoon; Lee, Hu-Chul

    2012-11-01

    The effect of grain boundary (GB) precipitates on the GB strength of an age-hardened Fe-7.8Mn-8.2Ni alloy was investigated. Premature intergranular fracture was observed after age hardening due to the precipitation of θ-MnNi precipitates at prior austenite grain boundaries. However, the conversion of GB θ precipitates to austenite by a short second aging at 793 K (520 °C) after peak aging at 713 K (440 °C) resulted in a remarkable improvement of GB strength. The result strongly supports the proposition that the weak bonding of GB θ precipitates to the matrix is the main reason for GB embrittlement in age-hardened Fe-Mn-Ni alloys.

  3. Effect of Manganese on Microstructures and Solidification Modes of Cast Fe-Mn-Si-Cr-Ni Shape Memory Alloys

    NASA Astrophysics Data System (ADS)

    Peng, Huabei; Wen, Yuhua; Du, Yangyang; Yu, Qinxu; Yang, Qin

    2013-10-01

    We investigated microstructures and solidification modes of cast Fe-(13-27)Mn-5.5Si-8.5Cr-5Ni shape memory alloys to clarify whether Mn was an austenite former during solidification. Furthermore, we examined whether the Creq/Nieq equations (Delong, Hull, Hammer and WRC-1992 equations) and Thermo-Calc software® together with database TCFE6 were valid to predict the solidification modes of cast Fe-(13-27)Mn-5.5Si-8.5Cr-5Ni shape memory alloys. The results have shown that the solidification modes of Fe-(13-27)Mn-5.5Si-8.5Cr-5Ni alloys changed from the F mode to the FA mode with increasing the Mn concentration. Mn is an austenite former during the solidification for the cast Fe-Mn-Si-Cr-Ni shape memory alloys. The Delong, Hull, Hammer, and WRC-1992 equations as well as Thermo-Calc software® together with database TCFE6 are invalid to predict the solidification modes of cast Fe-(13-27)Mn-5.5Si-8.5Cr-5Ni SMAs. To predict the solidification modes of cast Fe-Mn-Si-Cr-Ni alloys, a new Creq/Nieq equation should be developed or the thermodynamic database of Thermo-Calc software® should be corrected.

  4. Construction of the Magnetic Phase Diagram of FeMn/Ni/Cu(001) Using Photoemission Electron Microscopy

    SciTech Connect

    Wu, J.; Scholl, A.; Arenholz, E.; Hwang, C.; Qiu, Z. Q.

    2011-01-04

    Single crystalline FeMn/Ni bilayer was epitaxially grown on Cu(001) substrate and investigated by photoemission electron microscopy (PEEM). The FeMn and Ni films were grown into two cross wedges to facilitate an independent control of the FeMn (0-20 ML) and Ni (0-20 ML) film thicknesses. The Ni magnetic phases were determined by Ni domain images as a function of the Ni thickness (d{sub Ni}) and the FeMn thickness (d{sub FeMn}). The result shows that as the Ni thickness increases, the Ni film undergoes a paramagnetic-to-ferromagnetic state transition at a critical thickness of d{sub FM} and an in-plane to out-of-plane spin reorientation transition at a thicker thickness d{sub SRT}. The phase diagram shows that both d{sub FM} and d{sub SRT} increase as the FeMn film establishes its antiferromagnetic order.

  5. Plasma-Sprayed High Entropy Alloys: Microstructure and Properties of AlCoCrFeNi and MnCoCrFeNi

    NASA Astrophysics Data System (ADS)

    Ang, Andrew Siao Ming; Berndt, Christopher C.; Sesso, Mitchell L.; Anupam, Ameey; S, Praveen; Kottada, Ravi Sankar; Murty, B. S.

    2015-02-01

    High entropy alloys (HEAs) represent a new class of materials that present novel phase structures and properties. Apart from bulk material consolidation methods such as casting and sintering, HEAs can also be deposited as a surface coating. In this work, thermal sprayed HEA coatings are investigated that may be used as an alternative bond coat material for a thermal barrier coating system. Nanostructured HEAs that were based on AlCoCrFeNi and MnCoCrFeNi were prepared by ball milling and then plasma sprayed. Splat studies were assessed to optimise the appropriate thermal spray parameters and spray deposits were prepared. After mechanical alloying, aluminum-based and manganese-based HEA powders revealed contrary prominences of BCC and FCC phases in their X-ray diffraction patterns. However, FCC phase was observed as the major phase present in both of the plasma-sprayed AlCoCrFeNi and MnCoCrFeNi coatings. There were also minor oxide peaks detected, which can be attributed to the high temperature processing. The measured porosity levels for AlCoCrFeNi and MnCoCrFeNi coatings were 9.5 ± 2.3 and 7.4 ± 1.3 pct, respectively. Three distinct phase contrasts, dark gray, light gray and white, were observed in the SEM images, with the white regions corresponding to retained multicomponent HEAs. The Vickers hardness (HV0.3kgf) was 4.13 ± 0.43 and 4.42 ± 0.60 GPa for AlCoCrFeNi and MnCoCrFeNi, respectively. Both type of HEAs coatings exhibited anisotropic mechanical behavior due to their lamellar, composite-type microstructure.

  6. Magnetic characteristics of a high-layer-number NiFe/FeMn multilayer

    NASA Astrophysics Data System (ADS)

    Paterson, G. W.; Gonçalves, F. J. T.; McFadzean, S.; O'Reilly, S.; Bowman, R.; Stamps, R. L.

    2015-11-01

    We report the static and dynamic magnetic characteristics of a high-layer-number NiFe/FeMn multilayer test structure with potential applications in broadband absorber and filter devices. To allow fine control over the absorption linewidths and to understand the mechanisms governing the resonances in a tailored structure similar to that expected to be used in real world applications, the multilayer was intentionally designed to have layer thickness and interface roughness variations. Magnetometry measurements show that the sample has complex hysteresis loops with features consistent with single ferromagnetic film reversals. Characterisation by transmission electron microscopy allows us to correlate the magnetic properties with structural features, including the film widths and interface roughnesses. Analysis of resonance frequencies from broadband ferromagnetic resonance measurements as a function of field magnitude and orientation provide values of the local exchange bias, rotatable anisotropy, and uniaxial anisotropy fields for specific layers in the stack and explain the observed mode softening. The linewidths of the multilayer are adjustable around the bias field, approaching twice that seen at larger fields, allowing control over the bandwidth of devices formed from the structure.

  7. Magnetic characteristics of a high-layer-number NiFe/FeMn multilayer

    SciTech Connect

    Paterson, G. W. Gonçalves, F. J. T.; McFadzean, S.; Stamps, R. L.; O'Reilly, S.; Bowman, R.

    2015-11-28

    We report the static and dynamic magnetic characteristics of a high-layer-number NiFe/FeMn multilayer test structure with potential applications in broadband absorber and filter devices. To allow fine control over the absorption linewidths and to understand the mechanisms governing the resonances in a tailored structure similar to that expected to be used in real world applications, the multilayer was intentionally designed to have layer thickness and interface roughness variations. Magnetometry measurements show that the sample has complex hysteresis loops with features consistent with single ferromagnetic film reversals. Characterisation by transmission electron microscopy allows us to correlate the magnetic properties with structural features, including the film widths and interface roughnesses. Analysis of resonance frequencies from broadband ferromagnetic resonance measurements as a function of field magnitude and orientation provide values of the local exchange bias, rotatable anisotropy, and uniaxial anisotropy fields for specific layers in the stack and explain the observed mode softening. The linewidths of the multilayer are adjustable around the bias field, approaching twice that seen at larger fields, allowing control over the bandwidth of devices formed from the structure.

  8. Role of the antiferromagnetic pinning layer on spin wave properties in IrMn/NiFe based spin-valves

    NASA Astrophysics Data System (ADS)

    Gubbiotti, G.; Tacchi, S.; Del Bianco, L.; Bonfiglioli, E.; Giovannini, L.; Tamisari, M.; Spizzo, F.; Zivieri, R.

    2015-05-01

    Brillouin light scattering (BLS) was exploited to study the spin wave properties of spin-valve (SV) type samples basically consisting of two 5 nm-thick NiFe layers (separated by a Cu spacer of 5 nm), differently biased through the interface exchange coupling with an antiferromagnetic IrMn layer. Three samples were investigated: a reference SV sample, without IrMn (reference); one sample with an IrMn underlayer (10 nm thick) coupled to the bottom NiFe film; one sample with IrMn underlayer and overlayer of different thickness (10 nm and 6 nm), coupled to the bottom and top NiFe film, respectively. The exchange coupling with the IrMn, causing the insurgence of the exchange bias effect, allowed the relative orientation of the NiFe magnetization vectors to be controlled by an external magnetic field, as assessed through hysteresis loop measurements by magneto-optic magnetometry. Thus, BLS spectra were acquired by sweeping the magnetic field so as to encompass both the parallel and antiparallel alignment of the NiFe layers. The BLS results, well reproduced by the presented theoretical model, clearly revealed the combined effects on the spin dynamic properties of the dipolar interaction between the two NiFe films and of the interface IrMn/NiFe exchange coupling.

  9. Role of the antiferromagnetic pinning layer on spin wave properties in IrMn/NiFe based spin-valves

    SciTech Connect

    Gubbiotti, G. Tacchi, S.; Del Bianco, L.; Bonfiglioli, E.; Giovannini, L.; Spizzo, F.; Zivieri, R.; Tamisari, M.

    2015-05-07

    Brillouin light scattering (BLS) was exploited to study the spin wave properties of spin-valve (SV) type samples basically consisting of two 5 nm-thick NiFe layers (separated by a Cu spacer of 5 nm), differently biased through the interface exchange coupling with an antiferromagnetic IrMn layer. Three samples were investigated: a reference SV sample, without IrMn (reference); one sample with an IrMn underlayer (10 nm thick) coupled to the bottom NiFe film; one sample with IrMn underlayer and overlayer of different thickness (10 nm and 6 nm), coupled to the bottom and top NiFe film, respectively. The exchange coupling with the IrMn, causing the insurgence of the exchange bias effect, allowed the relative orientation of the NiFe magnetization vectors to be controlled by an external magnetic field, as assessed through hysteresis loop measurements by magneto-optic magnetometry. Thus, BLS spectra were acquired by sweeping the magnetic field so as to encompass both the parallel and antiparallel alignment of the NiFe layers. The BLS results, well reproduced by the presented theoretical model, clearly revealed the combined effects on the spin dynamic properties of the dipolar interaction between the two NiFe films and of the interface IrMn/NiFe exchange coupling.

  10. Magnetic and mechanical properties of Ni-Mn-Ga/Fe-Ga ferromagnetic shape memory composite

    NASA Astrophysics Data System (ADS)

    Tan, Chang-Long; Zhang, Kun; Tian, Xiao-Hua; Cai, Wei

    2015-05-01

    A ferromagnetic shape memory composite of Ni-Mn-Ga and Fe-Ga was fabricated by using spark plasma sintering method. The magnetic and mechanical properties of the composite were investigated. Compared to the Ni-Mn-Ga alloy, the threshold field for magnetic-field-induced strain in the composite is clearly reduced owing to the assistance of internal stress generated from Fe-Ga. Meanwhile, the ductility has been significantly improved in the composite. A fracture strain of 26% and a compressive strength of 1600 MPa were achieved. Projects supported by the National Natural Science Foundation of China (Grant Nos. 51271065 and 51301054), the Program for New Century Excellent Talents in Heilongjiang Provincial Education Department, China (Grant No. 1253-NCET-009), the Youth Academic Backbone in Heilongjiang Provincial Education Department, China (Grant No. 1251G022), the Projects of Heilongjiang, China, and China Postdoctoral Science Foundation.

  11. Mechanical Properties and Microstructure of the CoCrFeMnNi High Entropy Alloy Under High Strain Rate Compression

    NASA Astrophysics Data System (ADS)

    Wang, Bingfeng; Fu, Ao; Huang, Xiaoxia; Liu, Bin; Liu, Yong; Li, Zezhou; Zan, Xiang

    2016-07-01

    The equiatomic CoCrFeMnNi high entropy alloy, which crystallizes in the face-centered cubic (FCC) crystal structure, was prepared by the spark plasma sintering technique. Dynamic compressive tests of the CoCrFeMnNi high entropy alloy were deformed at varying strain rates ranging from 1 × 103 to 3 × 103 s-1 using a split-Hopkinson pressure bar (SHPB) system. The dynamic yield strength of the CoCrFeMnNi high entropy alloy increases with increasing strain rate. The Zerilli-Armstrong (Z-A) plastic model was applied to model the dynamic flow behavior of the CoCrFeMnNi high entropy alloy, and the constitutive relationship was obtained. Serration behavior during plastic deformation was observed in the stress-strain curves. The mechanism for serration behavior of the alloy deformed at high strain rate is proposed.

  12. Mechanical Properties and Microstructure of the CoCrFeMnNi High Entropy Alloy Under High Strain Rate Compression

    NASA Astrophysics Data System (ADS)

    Wang, Bingfeng; Fu, Ao; Huang, Xiaoxia; Liu, Bin; Liu, Yong; Li, Zezhou; Zan, Xiang

    2016-05-01

    The equiatomic CoCrFeMnNi high entropy alloy, which crystallizes in the face-centered cubic (FCC) crystal structure, was prepared by the spark plasma sintering technique. Dynamic compressive tests of the CoCrFeMnNi high entropy alloy were deformed at varying strain rates ranging from 1 × 103 to 3 × 103 s-1 using a split-Hopkinson pressure bar (SHPB) system. The dynamic yield strength of the CoCrFeMnNi high entropy alloy increases with increasing strain rate. The Zerilli-Armstrong (Z-A) plastic model was applied to model the dynamic flow behavior of the CoCrFeMnNi high entropy alloy, and the constitutive relationship was obtained. Serration behavior during plastic deformation was observed in the stress-strain curves. The mechanism for serration behavior of the alloy deformed at high strain rate is proposed.

  13. Quaternary PtMnCuX/C (X = Fe, Co, Ni, and Sn) and PtMnMoX/C (X = Fe, Co, Ni, Cu and Sn) alloys catalysts: Synthesis, characterization and activity towards ethanol electrooxidation

    NASA Astrophysics Data System (ADS)

    Ammam, Malika; Easton, E. Bradley

    2012-10-01

    In this account, two series of quaternary PtMnCuX/C (X = Fe, Co, Ni, and Sn) and PtMnMoX/C (X = Fe, Co, Ni, Cu and Sn) alloys catalysts have been synthesized and characterized by ICP, XRD, XPS, TEM and cyclic voltammetry. XRD spectra of each series illustrated that PtMnCuX/C (X = Fe, Co and Ni) and PtMnMoX/C (X = Fe, Co, Ni and Cu) alloys have been formed without significant free Mn, Cu, Mo or X co-catalysts. For PtMnCuSn/C and PtMnMoSn/C, in addition to alloy formation, significant free Sn-oxides are present in each catalyst. Cyclic voltammetry and chronoamperometry revealed that all quaternary showed superior electrocatalytic activity towards ethanol oxidation compared to the ternary precursor. Also, shift of the onset potential of ethanol oxidation towards less positive values were also recorded with the quaternary alloys, demonstrating a facilitated oxidation with the quaternary alloys compared to ternary alloy precursor. The magnitude of the gain in potential depend on the alloy composition and PtMnMoSn/C was found to be the best of all synthetized quaternary alloys with an onset potential of ethanol oxidation of only 0.059 V vs. Ag/AgCl.

  14. Phase transformations during deformation of Fe-Ni and Fe-Mn alloys produced by mechanical alloying

    NASA Astrophysics Data System (ADS)

    Cherdyntsev, V. V.; Pustov, L. Yu.; Kaloshkin, S. D.; Tomilin, I. A.; Shelekhov, E. V.; Laptev, A. I.; Baldokhin, Yu. V.; Estrin, E. I.

    2007-10-01

    Compositions of Fe(100 - x)Mn x ( x = 10 and 12 at. %) and Fe(100 - y)Ni y ( y = 18 and 20 at. %) were produced by combined mechanical alloying of pure-metal powders and annealed in the austenitic field. After annealing and cooling to room temperature, the alloys had a single-phase austenitic structure. During deformation, the γ phase partially transforms into the α 2 phase (and/or ɛ phase in Fe-Mn alloys). The phase composition of the alloys after deformation depends on the amount of alloying elements and the predeformation annealing regime. The amount of martensite in the structure of a bulk alloy obtained by powder compacting grows proportionally to the degree of deformation of the sample.

  15. Synthesis of Waste Form in the Gd-Fe-Al-Ni-Mn-Cr-O System

    SciTech Connect

    Chae, S.C.; Jang, Y.N.; Bae, I.K.; Ryu, K.W.

    2006-07-01

    Poly-phase waste form which was the mixture of Gd{sub 3}Fe{sub 2}Al{sub 3}O{sub 12} and (Ni{sub x}Mn{sub 1-x})(Fe{sub y}Cr{sub 1-y}){sub 2}O{sub 4} was synthesized. Also, we are intended to examine phase relation and physicochemical properties of coexisted phases in the compositions and to confirm accommodation relation of elements and phases. Two types of phase series were observed: Garnet-perovskite-spinel and Garnet-spinel. The compositions of garnets and spinels were nonstoichiometric, and especially, this poly-phase ceramics may be in a good waste form. The excessive Gd in garnets indicated the immobilization of higher content of actinides. The nonstoichiometric compositions of garnet and spinel were attributed to the formation of perovskite in that perovskite contained Gd, Fe and Al from garnet and Cr from spinel. (authors)

  16. Multiscale twin hierarchy in NiMnGa shape memory alloys with Fe and Cu

    DOE PAGESBeta

    Barabash, Rozaliya I.; Barabash, Oleg M.; Popov, Dmitry; Shen, Guoyin; Park, Changyong; Yang, Wenge

    2015-01-31

    X-ray microdiffraction and scanning electron microscopy studies reveal 10 M martensitic structure with a highly correlated multiscale twin hierarchy organization in NiMnGaFeCu shape memory alloys. In this paper, high compatibility is found at the twin interfaces resulting in a highly correlated twinned lattice orientation across several laminate levels. The lattice unit cell is described as monoclinic I-centered with a = 4.28 Å, b = 4.27 Å, c = 5.40 Å, γ = 78.5°. The modulation is found parallel to the b axis. Finally, thin tapered needle-like lamellae and branching are observed near the twin boundaries.

  17. Influence of Carbon on the Microstructure of a Fe-Mn-Si-Cr-Ni Alloy

    NASA Astrophysics Data System (ADS)

    Mostafa, Khaled M.; de Baerdemaeker, J.; van Caenegem, N.; Segers, D.; Houbaert, Y.

    2009-08-01

    The influence of the addition of C to the Fe-Mn-Si-Cr-Ni base material is investigated at room temperature. Steel samples were deformed during a tensile experiment up to a strain of 17%. Light optical microscopy (OM) and x-ray diffraction (XRD) gave information about the different micro-structural phases that exist in the deformed and the undeformed alloys. The evolution of the defect structure is followed by positron annihilation techniques such as Doppler broadening of annihilation radiation spectroscopy (DBAR) and the positron annihilation lifetime spectroscopy (PALS). During deformation a martensitic ɛ-phase is induced. The size of the martensite plates increases with increasing deformation.

  18. Exchange-bias phenomena and modeling in nanocrystalline powders of MnO/FeCo and NiO/Fe

    NASA Astrophysics Data System (ADS)

    Cornejo, D. R.; Padrón Hernández, E.; Azevedo, A.; Rezende, S. M.

    2005-05-01

    An approach towards the modeling of the magnetic behavior in heterogeneous systems of exchange-coupled antiferromagnetic (AF) and ferromagnetic (FM) particles with composition (AF)x+(FM)1-x is presented. The model is based on the Preisach hysteresis model and correctly predicts the correlation between the exchange-bias field and the mean grain size of the material, as established from the measurements of the hysteresis loops in mechanically alloyed (MnO)+(α-FeCo). The model was also used to calculate the unidirectional anisotropy interface energies in both this and (NiO)x+(α-Fe)1-x system; in the latter case, the predicted value was in full agreement with that reported for antiferromagnetic layers of NiO.

  19. Investigation of the mechanical properties of FeNiCrMnSi high entropy alloy wear resistant

    NASA Astrophysics Data System (ADS)

    Buluc, G.; Florea, I.; Chelariu, R.; Popescu, G.; Carcea, I.

    2016-06-01

    In this paper we investigated microstructure, hardness and wear resistance for FeNiCrMnAl, high entropy alloy. The FeNiCrMnSi, high entropy alloy was elaborated in a medium induction furnace, by choosing the silicon, as an alliance element within the equi- atomic high entropy alloy, we managed to obtain a dendritic structure, the formation of intermetallic compounds or separated silicon. The medium hardness value of the investigated alloy was 948.33 HV and the medium value of the friction coefficient was 0.6655 in the first 20 seconds and 0.5425 for 1667 seconds. The volume loss of the high entropy alloy FeNiCrMnSi was 0.0557 mm3.

  20. Calculations of structural, elastic, electronic, magnetic and phonon properties of FeNiMnAl by the first principles

    SciTech Connect

    Uğur, Şule; İyigör, Ahmet

    2014-10-06

    The electronic, elastic and dynamical properties of the quaternary alloy FeNiMnAl have been investigated using a pseudopotential plane wave method within the generalized gradient approximation (GGA). We determined the lattice parameters and the bulk modulus B. In addition, the elastic properties such as elastic constans (C{sub 11}, C{sub 12} and C{sub 44}), the shear modulus G, the young modulus E, the poisson's ratio σ and the B/G ratio are also given. The FeNiMnAl Heusler alloy exhibit a ferromagnetic half-metallic behavior with the total magnetic moment of 4.02 μ{sub B}. The phonon dispersion of FeNiMnAl has been performed using the density functional theory and the direct method with 2×2×2 supercell.

  1. Galvanomagnetic properties of Fe2YZ (Y = Ti, V, Cr, Mn, Fe, Ni; Z = Al, Si) heusler alloys

    NASA Astrophysics Data System (ADS)

    Kourov, N. I.; Marchenkov, V. V.; Belozerova, K. A.; Weber, H. W.

    2015-11-01

    The Hall effect and the magnetoresistance of Fe2YZ Heusler alloys, where Y = Ti, V, Cr, Mn, Fe, and Ni, are the 3 d transition metals and Z = Al and Si are the s, p elements of the third period of the periodic table, are studied at T = 4.2 K in magnetic fields H ≤ 100 kOe. It is shown that, in the high-field limit ( H > 10 kOe), the value and the sign of the normal ( R 0) and anomalous ( R s ) Hall coefficients change anomalously during transition from paramagnetic (Y = Ti, V) to ferromagnetic (Y = Cr, Mn, Fe, Ni) alloys. These coefficients have different signs for all alloys. Constant R s in the ferromagnetic alloys is positive, proportional to the residual resistivity ratio ( R s ∝ ρ 0 3.1 ), and inversely proportional to spontaneous magnetization. The magnetoresistance of the alloys is a few percent and has a negative sign. A positive addition to transverse magnetoresistance is only detected in high magnetic fields, H > 10 kOe.

  2. Galvanomagnetic properties of Fe{sub 2}YZ (Y = Ti, V, Cr, Mn, Fe, Ni; Z = Al, Si) heusler alloys

    SciTech Connect

    Kourov, N. I. Marchenkov, V. V.; Belozerova, K. A.; Weber, H. W.

    2015-11-15

    The Hall effect and the magnetoresistance of Fe{sub 2}YZ Heusler alloys, where Y = Ti, V, Cr, Mn, Fe, and Ni, are the 3d transition metals and Z = Al and Si are the s, p elements of the third period of the periodic table, are studied at T = 4.2 K in magnetic fields H ≤ 100 kOe. It is shown that, in the high-field limit (H > 10 kOe), the value and the sign of the normal (R{sub 0}) and anomalous (R{sub s}) Hall coefficients change anomalously during transition from paramagnetic (Y = Ti, V) to ferromagnetic (Y = Cr, Mn, Fe, Ni) alloys. These coefficients have different signs for all alloys. Constant R{sub s} in the ferromagnetic alloys is positive, proportional to the residual resistivity ratio (R{sub s} ∝ ρ{sub 0}{sup 3.1}), and inversely proportional to spontaneous magnetization. The magnetoresistance of the alloys is a few percent and has a negative sign. A positive addition to transverse magnetoresistance is only detected in high magnetic fields, H > 10 kOe.

  3. Microstructural Evolution and Functional Properties of Fe-Mn-Al-Ni Shape Memory Alloy Processed by Selective Laser Melting

    NASA Astrophysics Data System (ADS)

    Niendorf, Thomas; Brenne, Florian; Krooß, Philipp; Vollmer, Malte; Günther, Johannes; Schwarze, Dieter; Biermann, Horst

    2016-06-01

    In the current study, a Fe-Mn-Al-Ni shape memory alloy is processed by additive manufacturing for the first time. Microstructural evolution upon processing is strongly affected by thermal gradients and solidification velocity and, thus, by processing parameters and the actual specimen geometry. By single-step solutionizing heat treatment pronounced grain growth is initiated leading to microstructures showing good reversibility. The compressive stress-strain response revealed maximum reversible pseudo-elastic strain of about 7.5 pct. Critical steps toward further optimization of additively manufactured Fe-Mn-Al-Ni shape memory alloys are discussed.

  4. Microstructural Evolution and Functional Properties of Fe-Mn-Al-Ni Shape Memory Alloy Processed by Selective Laser Melting

    NASA Astrophysics Data System (ADS)

    Niendorf, Thomas; Brenne, Florian; Krooß, Philipp; Vollmer, Malte; Günther, Johannes; Schwarze, Dieter; Biermann, Horst

    2016-03-01

    In the current study, a Fe-Mn-Al-Ni shape memory alloy is processed by additive manufacturing for the first time. Microstructural evolution upon processing is strongly affected by thermal gradients and solidification velocity and, thus, by processing parameters and the actual specimen geometry. By single-step solutionizing heat treatment pronounced grain growth is initiated leading to microstructures showing good reversibility. The compressive stress-strain response revealed maximum reversible pseudo-elastic strain of about 7.5 pct. Critical steps toward further optimization of additively manufactured Fe-Mn-Al-Ni shape memory alloys are discussed.

  5. Using granular C0-AI2O3 spacer for optimization of functional parameters of the FeMn/Fe20Ni80 magnetoresistive films

    NASA Astrophysics Data System (ADS)

    Gorkovenko, A. N.; Lepalovskij, V. N.; Adanakova, O. A.; Vas'kovskiy, V. O.

    2016-03-01

    In this paper we studied the possibility of tailoring the functional properties of the multilayer magnetoresistive medium with unidirectional anisotropy and the anisotropic magnetoresistance effect (AMR). Objects of the research were composite Co-Al2O3 films and Ta/Fe20Ni80/Fe50Mn50/Fe20Ni80/Co-Al2O3/Fe20Ni80/Ta multilayers structures obtained by magnetron sputtering and selectively subjected vacuum annealing. Structure, magnetic and magnetoresistive properties of the films in the temperature range 77÷440 K were investigated.

  6. Structural transitions, magnetic properties, and electronic structures of Co(Fe)-doped MnNiSi compounds

    SciTech Connect

    Li, Y.; Wei, Z. Y.; Liu, E. K. Wang, S. G.; Wang, W. H.; Wu, G. H.; Liu, G. D.

    2015-05-07

    The structural transitions, magnetic properties, and electronic structures of Co(Fe)-doped MnNiSi compounds are investigated by x-ray powder diffraction, differential scanning calorimetry (DSC), magnetic measurements, and first-principles calculations. Results indicate that all samples undergo a martensitic transition from the Ni{sub 2}In-type parent phase to TiNiSi-type orthorhombic phase at high temperatures. The substitution of Co(Fe) for Mn in Mn{sub 1−x}Co{sub x}NiSi (x = 0.2, 0.3, and 0.4) and Mn{sub 1−y}Fe{sub y}NiSi (y = 0.26, 0.30, 0.36, 0.46, and 0.55) samples decreases the structural transition temperature and Curie temperature of martensite. The martensite phases show a typical ferromagnetic behavior with saturation field being basically unchanged with increasing Co(Fe) content, while the saturation magnetization shows a decreasing tendency. The theoretically calculated moments are in good agreement with the experimentally measured results. The orbital hybridizations between different 3d elements are analyzed from the distribution of density of states.

  7. Effects of Fe content on the microstructure and properties of CuNi10FeMn1 alloy tubes fabricated by HCCM horizontal continuous casting

    NASA Astrophysics Data System (ADS)

    Jiang, Yan-bin; Xu, Jun; Liu, Xin-hua; Xie, Jian-xin

    2016-04-01

    Heating-cooling combined mold (HCCM) horizontal continuous casting technology developed by our research group was used to produce high axial columnar-grained CuNi10FeMn1 alloy tubes with different Fe contents. The effects of Fe content (1.08wt%-2.01wt%) on the microstructure, segregation, and flushing corrosion resistance in simulated flowing seawater as well as the mechanical properties of the alloy tubes were investigated. The results show that when the Fe content is increased from 1.08wt% to 2.01wt%, the segregation degree of Ni and Fe elements increases, and the segregation coefficient of Ni and Fe elements falls from 0.92 to 0.70 and from 0.92 to 0.63, respectively. With increasing Fe content, the corrosion rate of the alloy decreases initially and then increases. When the Fe content is 1.83wt%, the corrosion rate approaches the minimum and dense, less-defect corrosion films, which contain rich Ni and Fe elements, form on the surface of the alloy; these films effectively protect the α-matrix and reduce the corrosion rate. When the Fe content is increased from 1.08wt% to 2.01wt%, the tensile strength of the alloy tube increases from 204 MPa to 236 MPa, while the elongation to failure changes slightly about 46%, indicating the excellent workability of the CuNi10FeMn1 alloy tubes.

  8. Monte Carlo study of decorated dislocation loops in FeNiMnCu model alloys

    NASA Astrophysics Data System (ADS)

    Bonny, G.; Terentyev, D.; Zhurkin, E. E.; Malerba, L.

    2014-09-01

    Radiation-induced embrittlement of bainitic steels is the lifetime limiting factor of reactor pressure vessels in existing nuclear light water reactors. The primary mechanism of embrittlement is the obstruction of dislocation motion by nano-metric defects in the bulk of the material due to irradiation. Such features are known to be solute clusters that may be attached to point defect clusters. In this work we study the thermal stability of solute clusters near edge dislocation lines and loops with Burgers vector b = ½[1 1 1] and b = [1 0 0] in FeNiMnCu model alloys by means of Metropolis Monte Carlo simulations. It is concluded that small dislocation loops may indeed act as points for heterogeneous nucleation of solute precipitates in reactor pressure vessel steels and increase their thermodynamic stability up to and above normal reactor operating temperatures. We also found that, in the presence of dislocation-type defects, the Ni content determines the thermodynamic driving force for precipitation, rather than the Mn content.

  9. Tip Growth Of Carbon Nanotubes Obtained By Pyrolyzation Of Camphor Oil With Zeolite Embedded With Fe/Ni/Mn Catalyst

    NASA Astrophysics Data System (ADS)

    Azira, A. A.; Zainal, N. F. A.; Nik, S. F.; Rusop, M.

    2009-06-01

    Highly efficient synthesis of carbon nanotubes (CNTs) have been synthesized by thermal decomposition of camphor oil, on a zeolite support impregnated with Fe/Ni/Mn (molar ratio of Fe:Ni:Mn = 1:1:1) catalyst in the temperature range from 550-950° C by the thermal CVD method. Besides the surface fluidization of the catalyst nanoparticles themselves, assistance of the metal oxides embedded in zeolite supports is supposed to be responsible for high activity and selectivity of the Fe/Ni/Mn catalyst over which carbon source (camphor oil) successfully decomposes. The CNT yield was higher at 850° C and can be considered as the optimum deposition temperature. This result demonstrates that zeolite impregnated with the catalyst Fe/Ni/Mn is a suitable support for effective formation of CNTs. The morphological studies support `tip growth mechanism' for the growth of the CNT's in our case. The as-grown CNTs were characterized by FESEM and FTIR spectroscopy.

  10. Nanomechanical Behavior of CoCrFeMnNi High-Entropy Alloy

    NASA Astrophysics Data System (ADS)

    Mridha, Sanghita; Das, Santanu; Aouadi, Samir; Mukherjee, Sundeep; Mishra, Rajiv S.

    2015-08-01

    The nanomechanical behavior of the Co20Cr20Fe20Mn20Ni20 high-entropy alloy was investigated in as-cast, rolled, annealed, and thin-film forms. Dislocation nucleation was studied by repeated indents at a low load for each of the different processing conditions. Distinct displacement bursts (pop in) were observed in the loading curve marked by incipient plasticity for all the samples. The as-cast and annealed samples showed pop ins for 100% of the indents, whereas the rolled and thin-film samples showed a much lower fraction of displacement bursts. This was explained by the high density of dislocations for the cold-worked and thin-film conditions. The strong depth dependence of hardness was explained by geometrically necessary dislocations. The nanomechanical behavior and twinned microstructure indicate low stacking-fault energy for this high-entropy alloy.

  11. Mechanical cycling effects at Fe-Mn-Si-Cr-Ni SMAs obtained by powder metallurgy

    NASA Astrophysics Data System (ADS)

    Pricop, B.; Söyler, U.; Comčneci, R. I.; Özkal, B.; Bujoreanu, L. G.

    Specimens from Fe-Mn-Si-Cr-Ni SMA, obtained by powder metallurgy and compacted through hot rolling, were subjected to tensile loading-unloading cycles. The pseudoelastic parameters were determined based on recorded stress-strain curves, and their variation tendency with increasing the number of mechanical cycles was discussed. The gauges of tensile specimens were cut after mechanical cycling and were subjected to structural and dilatometric analysis. The structure was analyzed by XRD and SEM, aiming to reveal mechanical cycling effects. The thermomechanical response on heating, of mechanically cycled specimens, was recorded by dilatometry and revealed a tendency to enhance thermal expansion as an effect of increasing the number of cycles. The microstructural changes, induced by mechanical cycling, consisted in the stress induced formation of α' martensite.

  12. Antiparallel interface coupling evidenced by negative rotatable anisotropy in IrMn/NiFe bilayers

    SciTech Connect

    Schafer, D.; Grande, P. L.; Pereira, L. G.; Azevedo, G. M.; Harres, A.; Geshev, J.; Sousa, M. A. de; Pelegrini, F.

    2015-06-07

    Negative rotatable anisotropy is estimated via ferromagnetic resonance measurements in as-made, annealed, and ion-irradiated IrMn{sub 3}/Ni{sub 81}Fe{sub 19} bilayers. Opposite to previous observations, inverse correlation between rotatable anisotropy and coercivity is observed. The exchange-bias field, determined from hysteresis loop measurements, is higher than that obtained from ferromagnetic resonance for all samples. The results are discussed in terms of majority antiparallel coupling and magnetic-field-induced transitions from antiparallel to parallel states of uncompensated spins at ferromagnet/antiferromagnet interface. We affirm that an observation of negative rotatable anisotropy evidences antiparallel coupling even in systems presenting conventional exchange bias.

  13. Lattice dynamics in austenitic stainless steels Fe 18Cr 12Ni 2Mo and Fe 18Cr 16Ni 10Mn

    NASA Astrophysics Data System (ADS)

    Rajevac, V.; Hoelzel, M.; Danilkin, S. A.; Hoser, A.; Fuess, H.

    2004-04-01

    Phonon dispersion curves of austenitic stainless steels Fe-18Cr-16Ni-10Mn and Fe-18Cr-12Ni-2Mo have been measured by triple-axis neutron spectroscopy. The data were analysed using Born-von Karman interactions as well as calculations including the contribution of conduction electrons on the lattice dynamics. An appropriate description of the experimental data was obtained by taking into account two-neighbour shells plus the contribution of the electron gas. The elastic constants and moduli obtained are close to reported results by ultrasonic studies on polycrystalline samples. The phonon densities of states in both systems calculated from the dispersion curves agree well with results obtained by time-of-flight neutron spectroscopy on polycrystalline samples. The Debye temperature THgr(T) shows a minimum around 40 K, similar to copper and nickel.

  14. Microstructures and mechanical properties of compositionally complex Co-free FeNiMnCr18 FCC solid solution alloy

    DOE PAGESBeta

    Wu, Z.; Bei, H.

    2015-07-01

    Recently, a structurally-simple but compositionally-complex FeNiCoMnCr high entropy alloy was found to have excellent mechanical properties (e.g., high strength and ductility). To understand the potential of using high entropy alloys as structural materials for advanced nuclear reactor and power plants, it is necessary to have a thorough understanding of their structural stability and mechanical properties degradation under neutron irradiation. Furthermore, this requires us to develop a similar model alloy without Co because material with Co will make post-neutron-irradiation testing difficult due to the production of the 60Co radioisotope. In order to achieve this goal, a FCC-structured single-phase alloy with amore » composition of FeNiMnCr18 was successfully developed. This near-equiatomic FeNiMnCr18 alloy has good malleability and its microstructure can be controlled by thermomechanical processing. By rolling and annealing, the as-cast elongated-grained-microstructure is replaced by homogeneous equiaxed grains. The mechanical properties (e.g., strength and ductility) of the FeNiMnCr18 alloy are comparable to those of the equiatomic FeNiCoMnCr high entropy alloy. Both strength and ductility increase with decreasing deformation temperature, with the largest difference occurring between 293 and 77 K. Extensive twin-bands which are bundles of numerous individual twins are observed when it is tensile-fractured at 77 K. No twin bands are detected by EBSD for materials deformed at 293 K and higher. Ultimately the unusual temperature-dependencies of UTS and uniform elongation could be caused by the development of the dense twin substructure, twin-dislocation interactions and the interactions between primary and secondary twinning systems which result in a microstructure refinement and hence cause enhanced strain hardening and postponed necking.« less

  15. Effect of Ti addition on the microstructure and mechanical properties of a cast Fe-Ni-Mo-Mn maraging steel

    NASA Astrophysics Data System (ADS)

    Nejad, S. Hossein; Nili Ahmadabadi, M.

    2003-10-01

    To study the effect of Ti on the age hardening behavior of Fe-Ni-Mn maraging steels, a Fe-Ni-Mo-Mn steel was alloyed with Ti then mechanical properties and aging behavior of two cast steels were investigated. In this regard, two heats of nominal compositions of Fe-10Ni-6Mo-3Mn and Fe-lONi-6Mo-3Mn-0. 7Ti were induction melted in air and vacuum respectively and cast in iron mold. After homogenizing at 1473K for 21.6ks and water quenching, solution annealing was performed at 1223K for 3.6ks followed by air cooling. Age hardening behavior at 773Kin the range of 0.36-172. 8 ks was determined. Tensile properties and Charpy impact toughness were measured in the solution annealed and peak-aged conditions. Fractographic features were studied by scanning electron microscope equipped with EDX microanalyses. Tensile properties of the alloys in the peakaged condition were in the range of grade 200 standard maraging steel. It has been found that Ti addition resulted in increasing of hardness and strength in aged condition and decreasing of Charpy impact toughness in both solution annealed and aged conditions. Ti addition also changes type and morphology of inclusions and fracture mechanism from semi-ductile intergranular mode to semi-ductile transgranular one.

  16. The effects of annealing on the microstructure and mechanical properties of Fe28Ni18Mn33Al21

    DOE PAGESBeta

    Meng, Fanling; Qiu, Jingwen; Baker, Ian; Bei, Hongbin

    2015-08-20

    In this paper, As-cast Fe28Ni18Mn33Al21, which consists of aligned, 50 nm, (Ni, Al)-rich B2, and (Fe, Mn)-rich f.c.c. phases, was annealed at a variety of temperatures up to 1423 K and the microstructure and mechanical properties were examined. It was shown that the as-cast microstructure arises from a eutectoid transformation at ~1300 K. Annealing at temperatures ≤1073 K produces β-Mn-structured precipitates and hardness values up to 816 HV, while annealing at temperatures >1073 K leads to dramatic coarsening of the two-phase B2/f.c.c. microstructure (up to 5.5 µm after 50 h at 1273 K), but does not lead to β-Mn precipitation.more » Interestingly, annealing at temperatures >1073 K delays the onset of β-Mn precipitation during subsequent anneals at lower temperatures. Coarsening the B2/f.c.c. lamellar structure by annealing at higher temperatures softens it and leads to increases in ductility from fracture before yield to ~8 % elongation. Finally, the presence of β-Mn precipitates makes the very fine, brittle B2/f.c.c. microstructures even more brittle, but significant ductility (8.4 % elongation) is possible even with β-Mn precipitates present if the B2/f.c.c. matrix is coarse and, hence, more ductile.« less

  17. Crystallographic, magnetic, and electronic structures of ferromagnetic shape memory alloys Ni2XGa (X=Mn,Fe,Co) from first-principles calculations

    NASA Astrophysics Data System (ADS)

    Bai, J.; Raulot, J. M.; Zhang, Y. D.; Esling, C.; Zhao, X.; Zuo, L.

    2011-01-01

    The crystallographic, magnetic and electronic structures of the ferromagnetic shape memory alloys Ni2XGa (X=Mn, Fe, and Co), are systematically investigated by means of the first-principles calculations within the framework of density functional theory using the VIENNA AB INITIO SOFTWARE PACKAGE. The lattice parameters of both austenitic and martensitic phases in Ni2MnGa have been calculated. The formation energies of the cubic phase of Ni2XGa are estimated, and show a destabilization tendency if Mn atom is substituted by Fe or Co. From Ni2MnGa to Ni2CoGa, the down spin total density of states (DOS) at Fermi level is gradually increasing, whereas that of the up spin part remains almost unchanged. This is the main origin of the difference of the magnetic moment in these alloys. The partial DOS is dominated by the Ni and Mn 3d states in the bonding region below EF. There are two bond types existing in Ni2XGa: one is between neighboring Ni atoms in Ni2MnGa; the other is between Ni and X atoms in Ni2FeGa and Ni2CoGa alloys.

  18. The effects of Ni, Mo, Ti and Si on the mechanical properties of Cr free Mn steel (Fe-25Mn-5Al-2C)

    NASA Technical Reports Server (NTRS)

    Schuon, S. R.

    1982-01-01

    The FeMnAlC alloys may hold potential as Cr-free replacements for high strategic material iron base superalloys, but little is known about their intermediate temperature (650 C to 870 C) mechanical properties. The effects of alloying elements on the mechanical properties of model FeMnAlC alloys were studied. Results showed that modified FeMnAlC alloys had promising short term, intermediate temperature properties but had relatively poor stress rupture lives at 172 MPa and 788 C. Room temperature and 788 C tensile strength of FeMnAlC alloys were better than common cast stainless steels. Changes in room temperature tensile and 788 C tensile strength and ductility, and 788 C stress rupture life were correlated with changes in Ni, Mo, Ti, and Si levels due to alloying effects on interstitial carbon levels and carbide morphology. Fe-25Mn-5Al-2C had a very poor stress rupture life at 172 MPa and 788 C. Addition of carbide-forming elements improved the stress rupture life.

  19. High-field magnetization of heusler alloys Fe2 XY ( X = Ti, V, Cr, Mn, Fe, Co, Ni; Y = Al, Si)

    NASA Astrophysics Data System (ADS)

    Kourov, N. I.; Marchenkov, V. V.; Korolev, A. V.; Belozerova, K. A.; Weber, H. W.

    2015-10-01

    The magnetization curves of ferromagnetic Heusler alloys Fe2 XY (where X = Ti, V, Cr, Mn, Fe, Co, Ni are transition 3 d elements and Y = Al, Si are the s and p elements of the third period of the Periodic Table) have been measured at T = 4.2 K in the field range H ≤ 70 kOe. It has been shown that the high-field ( H ≥ 20 kOe) magnetization is described within the Stoner model.

  20. Alternating magnetic anisotropy of Li2(Li1 -xTx )N (T =Mn ,Fe ,Co ,andNi )

    NASA Astrophysics Data System (ADS)

    Jesche, A.; Ke, L.; Jacobs, J. L.; Harmon, B.; Houk, R. S.; Canfield, P. C.

    2015-05-01

    Substantial amounts of the transition metals Mn, Fe, Co, and Ni can be substituted for Li in single crystalline Li2(Li1 -xTx)N . Isothermal and temperature-dependent magnetization measurements reveal local magnetic moments with magnitudes significantly exceeding the spin-only value. The additional contributions stem from unquenched orbital moments that lead to rare-earth-like behavior of the magnetic properties. Accordingly, extremely large magnetic anisotropies have been found. Most notably, the magnetic anisotropy alternates as easy plane→easy axis→easy plane→easy axis when progressing from T =MnFe →Co →Ni . This behavior can be understood based on a perturbation approach in an analytical, single-ion model. The calculated magnetic anisotropies show surprisingly good agreement with the experiment and capture the basic features observed for the different transition metals.

  1. Alternating magnetic anisotropy of Li2(Li1–xTx)N (T = Mn, Fe, Co, and Ni)

    DOE PAGESBeta

    Jesche, A.; Ke, L.; Jacobs, J. L.; Harmon, B.; Houk, R. S.; Canfield, P. C.

    2015-05-11

    Substantial amounts of the transition metals Mn, Fe, Co, and Ni can be substituted for Li in single crystalline Li2(Li1–xTx)N. Isothermal and temperature-dependent magnetization measurements reveal local magnetic moments with magnitudes significantly exceeding the spin-only value. The additional contributions stem from unquenched orbital moments that lead to rare-earth-like behavior of the magnetic properties. Accordingly, extremely large magnetic anisotropies have been found. Most notably, the magnetic anisotropy alternates as easy plane→easy axis→easy plane→easy axis when progressing from T = MnFe → Co → Ni. This behavior can be understood based on a perturbation approach in an analytical, single-ion model.more » As a result, the calculated magnetic anisotropies show surprisingly good agreement with the experiment and capture the basic features observed for the different transition metals.« less

  2. Microstructure and shape recovery characteristics in a TIG-welded Fe-Mn-Si-Cr-Ni shape memory alloy

    NASA Astrophysics Data System (ADS)

    Qiao, Zhixia; Li, Lianjin; Wang, Dongai; Li, Zongmin

    2007-07-01

    Microstructure of an Fe-Mn-Si-Cr-Ni shape memory alloy (SMA) after being TIG (tungsten-insert gas welding) welded was investigated using scanning electron microscope (SEM) and X-ray diffractometer. The results show that dendrite crystals composed of cellular sub-structures form in the weld zone due to remelting. There is no obvious change in microstructure of the heat-affected zone (HAZ) except for some degree of growth of austenite grains. Since both the weld zone and HAZ consist of single phase of austenite (γ), pre-strain can still induce the γ-->ɛ martensite transformation in welding joints of the alloy. Effect of TIG welding on shape recovery characteristics of the alloy was examined by bending tests and it was found that the TIG-welded Fe-Mn-Si-Cr-Ni alloy exhibits almost the same excellent SME as the base material.

  3. Effect of Complex Inclusion Particles on the Solidification Structure of Fe-Ni-Mn-Mo Alloy

    NASA Astrophysics Data System (ADS)

    Park, Jun Seok; Lee, Changhee; Park, Joo Hyun

    2012-12-01

    The effect of combinations of several deoxidizers, i.e., Mg-Al, Mg-Ti, Al-Ti, and Ce-Al, on the solidification structure of Fe-2 mass pct Ni-1 mass pct Mn-1 mass pct Mo alloy melt was investigated using a melt sampling and quenching method. Using this method, we evaluated the catalytic potency of several complex inclusion particles by taking the inclusion evolution process into account. Fine equiaxed crystals were obtained in the Mg-Ti-deoxidized steel wherein the MgO(MgAl2O4)-TiN complex compounds formed. However, the longer the holding time at high temperatures, the larger the fraction of Ti2O3, and very fine TiN formed because of microsegregation during solidification, resulting in poor equiaxed crystals. When the steel was deoxidized with Mg-Al, the initial structure was dominantly columnar. However, the longer the holding time, the larger the fraction of MgAl2O4 spinel, resulting in the formation of fine equiaxed crystals. Ce-Al complex deoxidation provided a relatively small portion of equiaxed crystals, whereas Ti-Al deoxidation produced the fewest equiaxed crystals because of the formation of alumina. The effectiveness of each inoculant particle for the crystallization of the primary δ-iron was explained well by the lattice disregistry concept.

  4. Mixing antiferromagnets to tune NiFe-[IrMn/FeMn] interfacial spin-glasses, grains thermal stability, and related exchange bias properties

    SciTech Connect

    Akmaldinov, K.; Ducruet, C.; Portemont, C.; Joumard, I.; Prejbeanu, I. L.; Dieny, B.; Baltz, V.

    2014-05-07

    Spintronics devices and in particular thermally assisted magnetic random access memories require a wide range of ferromagnetic/antiferromagnetic (F/AF) exchange bias (EB) properties and subsequently of AF materials to fulfil diverse functionality requirements for the reference and storage. For the reference layer, large EB energies and high blocking temperature (T{sub B}) are required. In contrast, for the storage layer, mostly moderate T{sub B} are needed. One of the present issues is to find a storage layer with properties intermediate between those of IrMn and FeMn and in particular: (i) with a T{sub B} larger than FeMn for better stability at rest-T but lower than IrMn to reduce power consumption at write-T and (ii) with improved magnetic interfacial quality, i.e., with reduced interfacial glassy character for lower properties dispersions. To address this issue, the EB properties of F/AF based stacks were studied for various mixed [IrMn/FeMn] AFs. In addition to EB loop shifts, the F/AF magnetic interfacial qualities and the AF grains thermal stability are probed via measurements of the low- and high-temperature contributions to the T{sub B} distributions, respectively. A tuning of the above three parameters is observed when evolving from IrMn to FeMn via [IrMn/FeMn] repetitions.

  5. Effect of one-step recrystallization on the grain boundary evolution of CoCrFeMnNi high entropy alloy and its subsystems.

    PubMed

    Chen, Bo-Ru; Yeh, An-Chou; Yeh, Jien-Wei

    2016-01-01

    In this study, the grain boundary evolution of equiatomic CoCrFeMnNi, CoCrFeNi, and FeCoNi alloys after one-step recrystallization were investigated. The special boundary fraction and twin density of these alloys were evaluated by electron backscatter diffraction analysis. Among the three alloys tested, FeCoNi exhibited the highest special boundary fraction and twin density after one-step recrystallization. The special boundary increment after one-step recrystallization was mainly affected by grain boundary velocity, while twin density was mainly affected by average grain boundary energy and twin boundary energy. PMID:26923713

  6. Effect of one-step recrystallization on the grain boundary evolution of CoCrFeMnNi high entropy alloy and its subsystems

    PubMed Central

    Chen, Bo-Ru; Yeh, An-Chou; Yeh, Jien-Wei

    2016-01-01

    In this study, the grain boundary evolution of equiatomic CoCrFeMnNi, CoCrFeNi, and FeCoNi alloys after one-step recrystallization were investigated. The special boundary fraction and twin density of these alloys were evaluated by electron backscatter diffraction analysis. Among the three alloys tested, FeCoNi exhibited the highest special boundary fraction and twin density after one-step recrystallization. The special boundary increment after one-step recrystallization was mainly affected by grain boundary velocity, while twin density was mainly affected by average grain boundary energy and twin boundary energy. PMID:26923713

  7. Effects of cold rolling on the microstructure and mechanical properties of Fe-Ni-Mn-Mo-Ti-Cr maraging steels

    NASA Astrophysics Data System (ADS)

    Mahmudi, Abbas; Nedjad, Syamak Hossein; Behnam, Mir Masud Jabbari

    2011-10-01

    Effects of cold rolling on the microstructure and mechanical properties of Fe-Ni-Mn-Mo-Ti-Cr maraging steels were studied. To investigate the microstructure and mechanical properties, optical microscopy, scanning electron microscopy, X-ray diffraction, tensile test, and hardness test were used. The results show that the solution-annealing treatment in the cold-rolled steel redounds to the formation of submicrocrystalline Fe2(Mo, Ti) Laves phase particles, which are stable at high temperatures. These secondary Laves phase particles prevent from recrystallization at high temperatures and correspond to semi-brittle fracture in the subsequent aging treatment.

  8. Electrical conduction mechanism of LaNi{sub x}Me{sub 1−x}O{sub 3−δ} (Me = Fe, Mn)

    SciTech Connect

    Niwa, Eiki; Maeda, Hiroki; Uematsu, Chie; Hashimoto, Takuya

    2015-10-15

    Graphical abstract: Compositional dependence of (a) electrical conductivity and (b) E{sub a} for hopping conduction of LaNi{sub x}Me{sub 1−x}O{sub 3} (Me = Fe, Mn). - Highlights: • Electrical conduction mechanism of LaNi{sub x}Me{sub 1−x}O{sub 3} (Me = Fe, Mn) was investigated. • Hopping conduction model could be applied for conductivity of both specimens. • The difference of E{sub a} due to that of energy level of Fe and Mn was observed. • Hole concentration estimated by iodimetry increases with increasing Ni content. - Abstract: Electrical conduction mechanism of LaNi{sub x}Fe{sub 1−x}O{sub 3−δ} and LaNi{sub x}Mn{sub 1−x}O{sub 3+δ} expected as Sr-free new cathode material for solid oxide fuel cells was analyzed. Electrical conduction behaviors of both specimens could be well fitted by small polaron hopping conduction model. The electrical conductivity of LaNi{sub x}Fe{sub 1−x}O{sub 3−δ} increased with increasing Ni content, showing agreement with decrease of activation energy for hopping conduction. The decrease of electrical conductivity and increase of activation energy of LaNi{sub x}Mn{sub 1−x}O{sub 3+δ} were observed with increasing Ni content for 0.0 ≤ x ≤ 0.4. Further Ni substitution increased electrical conductivity and decreased activation energy for 0.4 ≤ x ≤ 0.6. It was revealed using iodometry that the difference of hole carrier density between LaNi{sub x}Fe{sub 1−x}O{sub 3−δ} and LaNi{sub x}Mn{sub 1−x}O{sub 3+δ} was small. It was suspected that the origin of the difference of electrical conduction behavior of LaNi{sub x}Fe{sub 1−x}O{sub 3−δ} and LaNi{sub x}Mn{sub 1-x}O{sub 3+δ} was difference of energy level of e{sub g} band composed of Fe 3d or Mn 3d orbitals and their overlapping quantity with O 2p and Ni 3d band.

  9. Theory of nonequilibrium segregation in an Fe-Mn-Ni ternary alloy and a ductile-brittle-ductile transition

    SciTech Connect

    Heo, N.H.

    1996-07-01

    In an Fe-8Mn-7Ni ternary alloy, age-hardened by coherently formed face-centered tetragonal MnNi intermetallic compounds within the matrix, a modeling based on a regular solution model is performed to formulate the nonequilibrium grain boundary segregation behaviors of the alloying elements, followed by a ductile-brittle-ductile transition in the alloy. An equation is derived representing the segregation kinetics. It is confirmed from the calculations that the segregation behaviors of the elements are directly controlled by the precipitation reaction in the matrix. The nonequilibrium segregation behaviors are characterized by time-temperature diagrams, which show maximum segregation levels of the elements in an intermediate aging time and temperature range. The calculated results explain theoretically and semiquantitatively the relationship between the nonequilibrium segregation of the elements and the ductile-brittle-ductile transition.

  10. Critical dependence of magnetostructural coupling and magnetocaloric effect on particle size in Mn-Fe-Ni-Ge compounds

    PubMed Central

    Wu, Rongrong; Shen, Feiran; Hu, Fengxia; Wang, Jing; Bao, Lifu; Zhang, Lei; Liu, Yao; Zhao, Yingying; Liang, Feixiang; Zuo, Wenliang; Sun, Jirong; Shen, Baogen

    2016-01-01

    Magnetostructural coupling, which is the coincidence of crystallographic and magnetic transition, has obtained intense attention for its abundant magnetoresponse effects and promising technological applications, such as solid-state refrigeration, magnetic actuators and sensors. The hexagonal Ni2In-type compounds have attracted much attraction due to the strong magnetostructural coupling and the resulted giant negative thermal expansion and magnetocaloric effect. However, the as-prepared samples are quite brittle and naturally collapse into powders. Here, we report the effect of particle size on the magnetostructural coupling and magnetocaloric effect in the Ni2In-type Mn-Fe-Ni-Ge compound, which undergoes a large lattice change across the transformation from paramagnetic austenite to ferromagnetic martensite. The disappearance of martensitic transformation in a large amount of austenitic phase with reducing particle size, to our best knowledge, has not been reported up to now. The ratio can be as high as 40.6% when the MnNi0.8Fe0.2Ge bulk was broken into particles in the size range of 5~15 μm. Meanwhile, the remained magnetostructural transition gets wider and the magnetic hysteresis becomes smaller. As a result, the entropy change drops, but the effective cooling power RCeffe increases and attains to the maximum at particles in the range of 20~40 μm. These observations provide constructive information and highly benefit practical applications for this class of novel magnetoresponse materials. PMID:26883719

  11. Critical dependence of magnetostructural coupling and magnetocaloric effect on particle size in Mn-Fe-Ni-Ge compounds.

    PubMed

    Wu, Rongrong; Shen, Feiran; Hu, Fengxia; Wang, Jing; Bao, Lifu; Zhang, Lei; Liu, Yao; Zhao, Yingying; Liang, Feixiang; Zuo, Wenliang; Sun, Jirong; Shen, Baogen

    2016-01-01

    Magnetostructural coupling, which is the coincidence of crystallographic and magnetic transition, has obtained intense attention for its abundant magnetoresponse effects and promising technological applications, such as solid-state refrigeration, magnetic actuators and sensors. The hexagonal Ni2In-type compounds have attracted much attraction due to the strong magnetostructural coupling and the resulted giant negative thermal expansion and magnetocaloric effect. However, the as-prepared samples are quite brittle and naturally collapse into powders. Here, we report the effect of particle size on the magnetostructural coupling and magnetocaloric effect in the Ni2In-type Mn-Fe-Ni-Ge compound, which undergoes a large lattice change across the transformation from paramagnetic austenite to ferromagnetic martensite. The disappearance of martensitic transformation in a large amount of austenitic phase with reducing particle size, to our best knowledge, has not been reported up to now. The ratio can be as high as 40.6% when the MnNi0.8Fe0.2Ge bulk was broken into particles in the size range of 5~15 μm. Meanwhile, the remained magnetostructural transition gets wider and the magnetic hysteresis becomes smaller. As a result, the entropy change drops, but the effective cooling power RCeffe increases and attains to the maximum at particles in the range of 20~40 μm. These observations provide constructive information and highly benefit practical applications for this class of novel magnetoresponse materials. PMID:26883719

  12. Critical dependence of magnetostructural coupling and magnetocaloric effect on particle size in Mn-Fe-Ni-Ge compounds

    NASA Astrophysics Data System (ADS)

    Wu, Rongrong; Shen, Feiran; Hu, Fengxia; Wang, Jing; Bao, Lifu; Zhang, Lei; Liu, Yao; Zhao, Yingying; Liang, Feixiang; Zuo, Wenliang; Sun, Jirong; Shen, Baogen

    2016-02-01

    Magnetostructural coupling, which is the coincidence of crystallographic and magnetic transition, has obtained intense attention for its abundant magnetoresponse effects and promising technological applications, such as solid-state refrigeration, magnetic actuators and sensors. The hexagonal Ni2In-type compounds have attracted much attraction due to the strong magnetostructural coupling and the resulted giant negative thermal expansion and magnetocaloric effect. However, the as-prepared samples are quite brittle and naturally collapse into powders. Here, we report the effect of particle size on the magnetostructural coupling and magnetocaloric effect in the Ni2In-type Mn-Fe-Ni-Ge compound, which undergoes a large lattice change across the transformation from paramagnetic austenite to ferromagnetic martensite. The disappearance of martensitic transformation in a large amount of austenitic phase with reducing particle size, to our best knowledge, has not been reported up to now. The ratio can be as high as 40.6% when the MnNi0.8Fe0.2Ge bulk was broken into particles in the size range of 5~15 μm. Meanwhile, the remained magnetostructural transition gets wider and the magnetic hysteresis becomes smaller. As a result, the entropy change drops, but the effective cooling power RCeffe increases and attains to the maximum at particles in the range of 20~40 μm. These observations provide constructive information and highly benefit practical applications for this class of novel magnetoresponse materials.

  13. Magnetic anisotropy of Fe1-yXyPt-L10 [X = Cr, Mn, Co, Ni, Cu] bulk alloys

    NASA Astrophysics Data System (ADS)

    Cuadrado, R.; Klemmer, Timothy J.; Chantrell, R. W.

    2014-10-01

    We demonstrate by means of fully relativistic first principles calculations that, by substitution of Fe by Cr, Mn, Co, Ni, or Cu in FePt-L10 bulk alloys, with fixed Pt content, it is possible to tune the magnetocrystalline anisotropy energy by adjusting the content of the non-magnetic species in the material. The changes in the geometry due to the inclusion of each element induces different values of the tetragonality and hence changes in the magnetic anisotropy and in the net magnetic moment. The site resolved magnetic moments of Fe increase with the X content while those of Pt and X are simultaneously reduced. The calculations are in good quantitative agreement with experimental data and demonstrate that models with fixed band structure but varying numbers of electrons per unit cell are insufficient to describe the experimental data for doped FePt-L10 alloys.

  14. Defect formation energy and magnetic structure of shape memory alloys Ni-X-Ga (X=Mn, Fe, Co) by first principle calculation

    NASA Astrophysics Data System (ADS)

    Bai, J.; Raulot, J. M.; Zhang, Y. D.; Esling, C.; Zhao, X.; Zuo, L.

    2010-09-01

    The crystallographic and magnetic structures of the Ni2XGa (X=Mn, Fe, Co), are systematically investigated by means of the first-principles calculations within the framework of density functional theory using the VIENNA AB INITIO SOFTWARE PACKAGE. The formation energies of several kinds of defects (atomic exchange, antisite, vacancy) are estimated. The Ga atoms stabilize the cubic structure, and the effect of X atoms on the structural stability is opposite. For most cases of the site occupation, the excess atoms of the rich component directly occupy the site(s) of the deficient one(s), except for Ga-rich Ni-deficient type. The magnitude of the variation in Ni moments is much larger than that of Mn in defective Ni2XGa. The value of Ni magnetic moment sensitively depends on the distance between Ni and X. Excess Mn could be ferromagnetic or antiferromagnetic, depending on the distance between the neighboring Mn atoms.

  15. Study of the effect of annealing on defects in Fe Mn Si Cr Ni C alloy by slow positron beam

    NASA Astrophysics Data System (ADS)

    Mostafa, Khaled. M.; De Baerdemaeker, J.; Van Caenegem, N.; Segers, D.; Houbaert, Y.

    2008-10-01

    FeMnSi shape memory alloys (SMAs) have received much attention as one-way SMAs due to their cost-effectiveness. Variable-energy (0-30 keV) positron beam studies have been carried out on a Fe-Mn-Si-Cr-Ni-C alloy with different degrees of deformation. Doppler broadening profiles of the positron annihilation as a function of incident positron energy were shown to be quite sensitive to defects introduced by deformation. The variation of the nature and the concentration of defects are studied as a function of isochronal annealing temperature. These results are correlated with the data measured with the positron annihilation lifetime spectroscopy (PALS). The positron annihilation results are compared to XRD and optical microscopy (OM).

  16. Nanostructure evolution under irradiation of Fe(C)MnNi model alloys for reactor pressure vessel steels

    NASA Astrophysics Data System (ADS)

    Chiapetto, M.; Becquart, C. S.; Domain, C.; Malerba, L.

    2015-06-01

    Radiation-induced embrittlement of bainitic steels is one of the most important lifetime limiting factors of existing nuclear light water reactor pressure vessels. The primary mechanism of embrittlement is the obstruction of dislocation motion produced by nanometric defect structures that develop in the bulk of the material due to irradiation. The development of models that describe, based on physical mechanisms, the nanostructural changes in these types of materials due to neutron irradiation are expected to help to better understand which features are mainly responsible for embrittlement. The chemical elements that are thought to influence most the response under irradiation of low-Cu RPV steels, especially at high fluence, are Ni and Mn, hence there is an interest in modelling the nanostructure evolution in irradiated FeMnNi alloys. As a first step in this direction, we developed sets of parameters for object kinetic Monte Carlo (OKMC) simulations that allow this to be done, under simplifying assumptions, using a "grey alloy" approach that extends the already existing OKMC model for neutron irradiated Fe-C binary alloys [1]. Our model proved to be able to describe the trend in the buildup of irradiation defect populations at the operational temperature of LWR (∼300 °C), in terms of both density and size distribution of the defect cluster populations, in FeMnNi model alloys as compared to Fe-C. In particular, the reduction of the mobility of point-defect clusters as a consequence of the presence of solutes proves to be key to explain the experimentally observed disappearance of detectable point-defect clusters with increasing solute content.

  17. Sediment fractionation of Cu, Ni, Zn, Cr, Mn, and Fe in one experimental and three natural marshes

    SciTech Connect

    Lindau, C.W.; Hossner, L.R.

    1982-07-01

    Dredged sediments from the Gulf Intracoastal Waterway near Galveston, Tex., were used as a substrate material in the construction of an experimental intertidal salt marsh. Selected substrate properties were compared with those of established marshes. Clay mineralogical properties of the experimental marsh were compared with those of three nearby natural marshes. A sequential chemical extraction procedure was used to obtain data on the partitioning of micronutrients and heavy metals among selected marsh substrate fractions. Clay minerals found in the sediments of the experimental marsh were equivalent to those identified in the natural marshes. Total elemental substrate concentrations of Cu, Ni, Cr, Zn, Mn, and Fe averaged 7.9, 8.6, 25.5, 25.2, 123, and 12,200 ..mu..g/g, respectively, over the four marsh sites. Copper, nickel, zinc, and chromium displayed only minor variations in substrate partitioning between the experimental and natural marsh samples. Micronutrients and heavy metal concentrations in the exchangeable and water-soluble fraction were low compared with other fractions. Approximately 30% of the total substrate Cu, Ni, and Zn was associated with the organic matter fraction. Metals fixed within the lattice structures of clay and silicate minerals ranged from 20% Mn for experimental marsh samples to 90% Cr for one of the natural marshes. Major differences in Mn and Fe substrate partitioning were observed when the experimental marsh samples were compared with those of the natural marshes.

  18. The role of the (111) texture on the exchange bias and interlayer coupling effects observed in sputtered NiFe/IrMn/Co trilayers

    SciTech Connect

    Castro, I. L.; Nascimento, V. P.; Passamani, E. C.; Takeuchi, A. Y.; Larica, C.; Tafur, M.; Pelegrini, F.

    2013-05-28

    Magnetic properties of sputtered NiFe/IrMn/Co trilayers grown on different seed layers (Cu or Ta) deposited on Si (100) substrates were investigated by magnetometry and ferromagnetic resonance measurements. Exchange bias effect and magnetic spring behavior have been studied by changing the IrMn thickness. As shown by X-ray diffraction, Ta and Cu seed layers provoke different degrees of (111) fcc-texture that directly affect the exchange bias and indirectly modify the exchange spring coupling behavior. Increasing the IrMn thickness, it was observed that the coupling angle between the Co and NiFe ferromagnetic layers increases for the Cu seed system, but it reduces for the Ta case. The results were explained considering (i) different anisotropies of the Co and IrMn layers induced by the different degree of the (111) texture and (ii) the distinct exchange bias set at the NiFe/IrMn and IrMn/Co interfaces in both systems. The NiFe and Co interlayer coupling angle is strongly correlated with both exchange bias and exchange magnetic spring phenomena. It was also shown that the highest exchange bias field occurs when an unstressed L1{sub 2} IrMn structure is stabilized.

  19. Processing, Microstructure and Mechanical Properties of the CrMnFeCoNi High-Entropy Alloy

    NASA Astrophysics Data System (ADS)

    Gludovatz, Bernd; George, Easo P.; Ritchie, Robert O.

    2015-08-01

    Equiatomic multi-component alloys, referred to variously as high-entropy alloys, multi-component alloys, or compositionally complex alloys in the literature, have recently received significant attention in the materials science community. Some of these alloys can display a good combination of mechanical properties. Here, we review recent work on the processing, microstructure and mechanical properties of one of the first and most studied high-entropy alloys, namely the single-phase, face-centered cubic alloy CrMnFeCoNi, with emphasis on its excellent damage tolerance (strength with toughness) in the temperature range from room temperature down to liquid nitrogen temperature.

  20. Transition between onion states and vortex states in exchange-coupled Ni-Fe/Mn-Ir asymmetric ring dots

    NASA Astrophysics Data System (ADS)

    Sasaki, Isao; Nakatani, Ryoichi; Endo, Yasushi; Kawamura, Yoshio; Yamamoto, Masahiko; Takenaga, Takashi; Aya, Sunao; Kuroiwa, Takeharu; Beysen, Sadeh; Kobayashi, Hiroshi

    2006-04-01

    The transition between onion states and vortex states in exchange-coupled Ni-Fe/Mn-Ir asymmetric ring dots has been investigated. A direction of domain wall motion, during the transition from the single-domain state to the vortex state via the onion state, depends on a sweep direction of an external field. This dependence fixes the directions of vortical magnetizations in the vortex states. The derivative of the amount of the domain wall motion with respect to the external field depends on the sweep direction of external field, and thus the hysteresis loop becomes asymmetric.

  1. Mn2FeWO6 : A new Ni3TeO6-type polar and magnetic oxide.

    PubMed

    Li, Man-Rong; Croft, Mark; Stephens, Peter W; Ye, Meng; Vanderbilt, David; Retuerto, Maria; Deng, Zheng; Grams, Christoph P; Hemberger, Joachim; Hadermann, Joke; Li, Wen-Min; Jin, Chang-Qing; Saouma, Felix O; Jang, Joon I; Akamatsu, Hirofumi; Gopalan, Venkatraman; Walker, David; Greenblatt, Martha

    2015-04-01

    Mn(2+)2 Fe(2+)W(6+)O6 , a new polar magnetic phase, adopts the corundum-derived Ni3TeO6 -type structure with large spontaneous polarization (PS) of 67.8 μC cm(-2), complex antiferromagnetic order below ≈75 K, and field-induced first-order transition to a ferrimagnetic phase below ≈30 K. First-principles calculations predict a ferrimagnetic (udu) ground state, optimal switching path along the c-axis, and transition to a lower energy udu-udd magnetic double cell. PMID:25677612

  2. Serration Behavior and Pop-in Phenomena in AlxCrCuFeMnNi High Entropy Alloys

    NASA Astrophysics Data System (ADS)

    Diao, Haoyan; Xie, Xie; Chen, Shuying; Wang, Gongyao; Yang, Fuqian; Dahmen, Karin; Liaw, Peter

    2015-03-01

    Recently, high-entropy alloys (HEAs), based on achieving a high configuration entropy of mixing among alloying elements, have been developed. Many of these alloys contain expensive elements, such as Co. Substituting these elements for less expensive elements, such as Mn, without compromising the mechanical performance is crucial to make HEAs commercially viable. The AlxCrCuFeMnNi (x = 0.1, 0.3, and 0.8) system is one such alloy that displays encouraging mechanical results in both compression and nanoindentation experiments. Discrete, jerky stress-drop bursts (serrations) are even found at room temperature. The mean-field-interaction model predicts the scaling behavior of the distribution, D(S), of avalanche sizes in the experiments. D(S) follows a power law multiplied by an exponentially-decaying scaling function. The size of the largest observed avalanche depends on experimental parameters, such as aluminum content, strain rate, or temperature. In nanoindentation, a strain burst is manifested by a sudden displacement excursion or `pop-in', following the initial elastic Hertzian contact. The pop-in phenomena becomes more frequent and regular, as the indentation load is greater than 35 mN. A quantitative theory for the serration behavior and pop-in phenomena is a critical issue for understanding the deformation characteristics of HEAs. This work was supported by the Department of Energy No. DE-FE-0008855 and DE-FE-0011194.

  3. Nanostructure evolution under irradiation in FeMnNi alloys: A "grey alloy" object kinetic Monte Carlo model

    NASA Astrophysics Data System (ADS)

    Chiapetto, M.; Malerba, L.; Becquart, C. S.

    2015-07-01

    This work extends the object kinetic Monte Carlo model for neutron irradiation-induced nanostructure evolution in Fe-C binary alloys developed in [1], introducing the effects of substitutional solutes like Mn and Ni. The objective is to develop a model able to describe the nanostructural evolution of both vacancy and self-interstitial atom (SIA) defect cluster populations in Fe(C)MnNi neutron-irradiated model alloys at the operational temperature of light water reactors (∼300 °C), by simulating specific reference irradiation experiments. To do this, the effects of the substitutional solutes of interest are introduced, under simplifying assumptions, using a "grey alloy" scheme. Mn and Ni solute atoms are not explicitly introduced in the model, which therefore cannot describe their redistribution under irradiation, but their effect is introduced by modifying the parameters that govern the mobility of both SIA and vacancy clusters. In particular, the reduction of the mobility of point-defect clusters as a consequence of the presence of solutes proved to be key to explain the experimentally observed disappearance of detectable defect clusters with increasing solute content. Solute concentration is explicitly taken into account in the model as a variable determining the slowing down of self-interstitial clusters; small vacancy clusters, on the other hand, are assumed to be significantly slowed down by the presence of solutes, while for clusters bigger than 10 vacancies their complete immobility is postulated. The model, which is fully based on physical considerations and only uses a few parameters for calibration, is found to be capable of reproducing the experimental trends in terms of density and size distribution of the irradiation-induced defect populations with dose, as compared to the reference experiment, thereby providing insight into the physical mechanisms that influence the nanostructural evolution undergone by this material during irradiation.

  4. Nano-twin Mediated Plasticity in Carbon-containing FeNiCoCrMn High Entropy Alloys

    SciTech Connect

    Wu, Zhenggang; Bei, Hongbin; Parish, Chad M

    2015-06-14

    Equiatomic FeNiCoCrMn alloy has been reported to exhibit promising strength and ductility at cryogenic temperature and deformation mediated by nano-twining appeared to be one of the main reasons. We use the FeNiCoCrMn alloy as a base alloy to seek further improvement of its mechanical properties by alloying additional elements, i.e., interstitial carbon. Moreover, the effects of carbon on microstructures, mechanical properties and twinning activities were investigated in two different temperatures (77 and 293 K). With addition of 0.5 at% C, the high entropy alloy still remains entirely single phase face-centered cubic (FCC) crystal structure. We found that these materials can be cold rolled and recrystallized to produce a microstructure with equiaxed grains. Both strain hardening rate and strength are enhanced while high uniform elongations to fracture (~70% at 77 K and ~40% at 293 K) are still maintained. The increased strain hardening and strength could be caused by the promptness of deformation twinning in C-containing high entropy alloys.

  5. Nano-twin Mediated Plasticity in Carbon-containing FeNiCoCrMn High Entropy Alloys

    DOE PAGESBeta

    Wu, Zhenggang; Bei, Hongbin; Parish, Chad M

    2015-06-14

    Equiatomic FeNiCoCrMn alloy has been reported to exhibit promising strength and ductility at cryogenic temperature and deformation mediated by nano-twining appeared to be one of the main reasons. We use the FeNiCoCrMn alloy as a base alloy to seek further improvement of its mechanical properties by alloying additional elements, i.e., interstitial carbon. Moreover, the effects of carbon on microstructures, mechanical properties and twinning activities were investigated in two different temperatures (77 and 293 K). With addition of 0.5 at% C, the high entropy alloy still remains entirely single phase face-centered cubic (FCC) crystal structure. We found that these materials canmore » be cold rolled and recrystallized to produce a microstructure with equiaxed grains. Both strain hardening rate and strength are enhanced while high uniform elongations to fracture (~70% at 77 K and ~40% at 293 K) are still maintained. The increased strain hardening and strength could be caused by the promptness of deformation twinning in C-containing high entropy alloys.« less

  6. Structural, Magnetic, and Optical Properties of A3V4(PO4)6 (A = Mg, Mn, Fe, Co, Ni).

    PubMed

    Porter, Spencer H; Xiong, Jie; Avdeev, Maxim; Merz, David; Woodward, Patrick M; Huang, Zhenguo

    2016-06-20

    Combined synchrotron and neutron powder diffraction indicates that A3V4(PO4)6 (A = Mg, Mn, Fe, Co, Ni) compounds crystallize with triclinic P1̅ symmetry. Lattice parameters expand as expected with successive increases in the ionic radius of the A(2+) ion. Cation disorder on the octahedral sites increases as the ionic radii of A(2+) ion decreases. Direct-current magnetic susceptibility measurements indicate that all compounds with magnetic A(2+) ions order anti-ferromagnetically with transition temperatures ranging from 12 to 15 K. Effective magnetic moments for A3V4(PO4)6 (A = Mg, Mn, Fe, Co, Ni) are 5.16, 11.04, 10.08, 9.76, and 7.96 μB per formula unit, respectively, in line with calculated values for high-spin transition metal ions. With the exception of Co3V4(PO4)6 the ultraviolet-visible spectra are dominated by d-d transitions of the V(3+) ions. The striking emerald green color of Co3V4(PO4)6 arises from the combined effects of d-d transitions involving both V(3+) and Co(2+). PMID:27227553

  7. Large enhancement of Blocking temperature by control of interfacial structures in Pt/NiFe/IrMn/MgO/Pt multilayers

    SciTech Connect

    Chen, Xi; Wang, Shouguo Han, Gang; Jiang, Shaolong; Yang, Kang; Liu, Qianqian; Yu, Guanghua; Liu, Jialong; Wang, Rongming

    2015-09-15

    The Blocking temperature (T{sub B}) of Pt/NiFe/IrMn/MgO/Pt multilayers was greatly enhanced from far below room temperature (RT) to above RT by inserting 1 nm thick Mg layer at IrMn/MgO interface. Furthermore, the exchange bias field (H{sub eb}) was increased as well by the control of interfacial structures. The evidence for a significant fraction of Mn-O bonding at IrMn/MgO interface without Mg insertion layer was provided by X-ray photoelectron spectroscopy. The bonding between Mn and O can decrease the antiferromagnetism of IrMn film, leading to lower value of T{sub B} in Pt/NiFe/IrMn/MgO/Pt multilayers. Ultrathin Mg film inserted at IrMn/MgO interface acting as an oxygen sinking layer can suppress the oxidation reactions between Mn and O and reduce the formation of Mn-O bonding greatly. The oxidation suppression results in the recovery of the antiferromagnetism of IrMn film, which can enhance T{sub B} and H{sub eb}. Furthermore, the high resolution transmission electron microscopy demonstrates that the Mg insertion layer can efficiently promote a high-quality MgO (200) texture. This study will enhance the understanding of physics in antiferromagnet-based spintronic devices.

  8. Large enhancement of Blocking temperature by control of interfacial structures in Pt/NiFe/IrMn/MgO/Pt multilayers

    NASA Astrophysics Data System (ADS)

    Chen, Xi; Wang, Shouguo; Han, Gang; Jiang, Shaolong; Yang, Kang; Liu, Qianqian; Liu, Jialong; Wang, Rongming; Yu, Guanghua

    2015-09-01

    The Blocking temperature (TB) of Pt/NiFe/IrMn/MgO/Pt multilayers was greatly enhanced from far below room temperature (RT) to above RT by inserting 1 nm thick Mg layer at IrMn/MgO interface. Furthermore, the exchange bias field (Heb) was increased as well by the control of interfacial structures. The evidence for a significant fraction of Mn-O bonding at IrMn/MgO interface without Mg insertion layer was provided by X-ray photoelectron spectroscopy. The bonding between Mn and O can decrease the antiferromagnetism of IrMn film, leading to lower value of TB in Pt/NiFe/IrMn/MgO/Pt multilayers. Ultrathin Mg film inserted at IrMn/MgO interface acting as an oxygen sinking layer can suppress the oxidation reactions between Mn and O and reduce the formation of Mn-O bonding greatly. The oxidation suppression results in the recovery of the antiferromagnetism of IrMn film, which can enhance TB and Heb. Furthermore, the high resolution transmission electron microscopy demonstrates that the Mg insertion layer can efficiently promote a high-quality MgO (200) texture. This study will enhance the understanding of physics in antiferromagnet-based spintronic devices.

  9. Effect of Pre-straining on the Shape Recovery of Fe-Mn-Si-Cr-Ni Shape Memory Alloys

    NASA Astrophysics Data System (ADS)

    Maji, Bikas C.; Krishnan, Madangopal; Verma, Amit; Basu, R.; Samajdar, I.; Ray, Ranjit K.

    2015-02-01

    The effect of pre-straining on the shape recovery behavior of Fe-14Mn-6Si-9Cr-5Ni (wt pct) shape memory alloy (SMA) has been studied. The shape recovery associated with the reverse ɛ martensitic transformation, i.e., ɛ → γ, was characterized by dilatometry using specimens which were pre-strained to different extent (0 to 14 pct). Dilatometric studies revealed that in Fe-Mn-Si-Cr-Ni SMA, the shape recovery takes place in two stages: (i) in the first stage, the unpinned fraction of stress-induced ɛ martensite reverts back to parent phase γ in the temperature regime of 353 K to 653 K (80 °C to 380 °C) and (ii) in the second stage the remaining "pinned" ɛ martensite is unpinned by the decomposition of deformation-induced α' martensite in the temperature range of 743 K to 893 K (470 °C to 620 °C). The amount of recovery in the first stage decreases with pre-strain, whereas it increases in the second stage. The ɛ → γ transformation finish temperature, A f, increases with increase in pre-strain amount, though the reverse transformation start temperature, A S, remains unaffected. Microstructural characterization revealed that the amount of deformation-induced α' martensite depends on the mode of straining and the crystallographic texture of the starting material. The reversion of α' martensite is seen to occur by the precipitation of Fe5Ni3Si2-type intermetallic π-phase within these plates.

  10. The embrittlement and de-embrittlement of grain boundaries in an Fe-Mn-Ni alloy due to grain boundary segregation of Mn

    SciTech Connect

    Heo, N.H.; Lee, H.C.

    1996-04-01

    A ductile-brittle-ductile (DBD) transition behavior in an age-hardenable Fe-8Mn-7Ni alloy has been analyzed in light of segregation and desegregation of alloying elements at prior austenite grain boundaries. The DBD transition in the alloy can be distinguished by two C-type curves: one corresponding to the start of zero tensile elongation and the other to the finish. The activation energies for ductile-to-brittle and brittle-to-ductile transitions are in close agreement with that for age hardening. Manganese content at the prior austenite grain boundaries was analyzed by Auger electron spectroscopy, and intergranular fracture strength at the brittle fracture region showed inverse trends with Mn concentration at the grain boundaries. All these observations strongly suggest that manganese segregation and its desegregation are responsible for the DBD transition of this alloy.

  11. Effects of interactions between NiM (M = Mn, Fe, Co and Cu) bimetals with MgO (1 0 0) on the adsorption of CO2

    NASA Astrophysics Data System (ADS)

    Wang, Baojun; Yan, Ruixia; Liu, Hongyan

    2012-09-01

    A density-functional theory method has been conducted to investigate the interactions of NiM (M = Mn, Fe, Co and Cu) with MgO (1 0 0) as well as the effects of interactions on the adsorption of CO2. The binding energies of NiM on MgO and the adsorption energies of CO2 on NiM/MgO have been calculated, and the results show that the defective NiM/MgO catalysts exhibit stronger metal-support interaction (MSI) than the perfect NiM/MgO catalysts do, leading to weaker adsorption ability to CO2, except NiMn/MgO system. However, for the catalysts with the same MgO surface and different bimetals, the stronger the MSI is, the stronger adsorption ability of the substrate to CO2 is, except NiCu/MgO system.

  12. Site preferences and effects of X (X = Mn, Fe, Co, Cu) on the properties of NiAl: A first-principles study

    NASA Astrophysics Data System (ADS)

    Li, Hongshan; Cao, Yong; Zhou, Shenggang; Zhu, Peixian; Zhu, Jingchuan

    2016-03-01

    The site preference of X (X = Mn, Fe, Co, Cu) in NiAl and its effects on structural, electronic and elastic properties were investigated by performing first-principles calculations using density functional theory (DFT). Formation enthalpy calculations show that adding X increases the formation enthalpy of NiAl, indicating that X addition reduces the stability of system. The site preference was investigated by calculating the transfer energy of NiAl alloys with X. The results further exhibit that Mn, Fe and Cu show no site preference, but Co tends to occupy Ni site. By analyzing electronic density of states, Mulliken population, overlap population and valence charge density, the electronic property and bond characters were discussed. The elastic property calculation shows that only substitution of Ni by Cu increased the plasticity of alloy, while in the other cases the plasticity was decreased.

  13. Magnetic properties of Mg12O12 nanocage doped with transition metal atoms (Mn, Fe, Co and Ni): DFT study

    NASA Astrophysics Data System (ADS)

    Javan, Masoud Bezi

    2015-07-01

    Binding energy of the Mg12O12 nanocage doped with transition metals (TM=Mn, Fe, Co and Ni) in endohedrally, exohedrally and substitutionally forms were studied using density functional theory with the generalized gradient approximation exchange-correlation functional along 6 different paths inside and outside of the Mg12O12 nanocage. The most stable structures were determined with full geometry optimization near the minimum of the binding energy curves of all the examined paths inside and outside of the Mg12O12 nanocage. The results reveal that for all stable structures, the Ni atom has a larger binding energy than the other TM atoms. It is also found that for all complexes additional peaks contributed by TM-3d, 4s and 4p states appear in the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) gap of the host MgO cluster. The mid-gap states are mainly due to the hybridization between TM-3d, 4s and 4p orbitals and the cage π orbitals. The magnetic moment of the endohedrally doped TM atoms in the Mg12O12 are preserved to some extent due to the interaction between the TM and Mg12O12 nanocage, in contrast to the completely quenched magnetic moment of the Fe and Ni atoms in the Mg11(TM)O12 complexes. Furthermore, charge population analysis shows that charge transfer occurs from TM atom to the cage for endohedrally and substitutionally doping.

  14. Coexistance of magnetoelectric effect and exchange bias in Ni50.3Mn36.9Sb12.8/BiFeO3 heterostructure thin film

    NASA Astrophysics Data System (ADS)

    Barman, Rahul; Kaur, Davinder

    2016-05-01

    In the present study structural, magnetic and ferroelectric properties of Ni50.3Mn36.9Sb12.8/BiFeO3 heterostructure thin film, grown on LaNiO3 coated Si (100) substrate has been systematically investigated. Ni50.3Mn36.9Sb12.8 film exhibits L21 structure with preferred (220) orientation. The bottom LaNiO3 layer was implemented to favor the growth of pervoskite BiFeO3 film with (l00) orientation. The shift in hysteresis loop up to 34 Oe from the origin was observed at 300 K which is mainly due to the coupling of FM-AFM spins at the interface. Besides the exchange bias effect, large coupling between ferromagnetic and ferroelectric order parameters was also found with maximum coupling sensitivity of 7.58 V/cm-Oe at 300K in Ni50.3Mn36.9Sb12.8/BiFeO3 heterostructure thin film. The observed magneto-electric effect in this heterostructure is due to the transfer of strain from ferromagnetic shape memory alloy Ni50.3Mn36.9Sb12.8 layer to multiferroic BiFeO3 layer in the presence of magnetic field. Hence, coexistence of magneto-electric coupling and exchange bias in Ni50.3Mn36.9Sb12.8/BiFeO3 heterostructure make them a promising candidate for various multifunctional MEMS devices.

  15. Weathering and precipitation after meteorite impact of Ni, Cr, Fe, Ca and Mn in K-T boundary clays from Stevns Klint

    NASA Astrophysics Data System (ADS)

    Miyano, Yumiko; Yoshiasa, Akira; Tobase, Tsubasa; Isobe, Hiroshi; Hongu, Hidetomo; Okube, Maki; Nakatsuka, Akihiko; Sugiyama, Kazumasa

    2016-05-01

    Ni, Cr, Fe, Ca and Mn K-edge XANES and EXAFS spectra were measured on K-T boundary clays from Stevns Klint in Denmark. According to XANES spectra and EXAFS analyses, the local structures of Ni, Cr and Fe in K-T boundary clays is similar to Ni(OH)2, Cr2O3 and FeOOH, respectively. It is assumed that the Ni, Cr and Fe elements in impact related glasses is changing into stable hydrate and oxide by the weathering and diagenesis at the surface of the Earth. Ca in K-T boundary clays maintains the diopside-like structure. Local structure of Ca in K-T clays seems to keep information on the condition at meteorite impact. Mn has a local structure like MnCO3 with divalent state. It is assumed that the origin on low abundant of Mn in the Fe-group element in K-T clays was the consumption by life activity and the diffusion to other parts.

  16. Anomalous magnetotransport behavior in Fe-doped MnNiGe alloys

    NASA Astrophysics Data System (ADS)

    Dutta, P.; Pramanick, S.; Singh, Vijay; Major, Dan Thomas; Das, D.; Chatterjee, S.

    2016-04-01

    The electrical dc transport properties of hexagonal magnetic equiatomic alloys of nominal composition Mn1 -xFexNiGe (x =0.2 and0.25 ) have been investigated experimentally as well as theoretically using first-principles electronic structure calculations. Thermal hysteresis in the magnetization data indicates that the alloys undergo a first-order martensitic transition. Both the alloys show unusual nonmetallic resistivity behavior and a noticeable amount of training effect in resistivity when thermally cycled through the first-order martensitic transition. We observe moderate negative magnetoresistance (˜-11.5 % for 150 kOe) at 5 K (well below the martensitic transition temperature) associated with clear virgin line effect for both the alloys. We have adapted different flavors of density functional theory approach to understand the experimentally observed nonmetallic transport behavior.

  17. Atomic kinetic Monte Carlo model based on ab initio data: Simulation of microstructural evolution under irradiation of dilute Fe CuNiMnSi alloys

    NASA Astrophysics Data System (ADS)

    Vincent, E.; Becquart, C. S.; Domain, C.

    2007-02-01

    The embrittlement of pressure vessel steels under radiation has been long ago correlated with the presence of Cu solutes. Other solutes such as Ni, Mn and Si are now suspected to contribute also to the embrittlement. The interactions of these solutes with radiation induced point defects thus need to be characterized properly in order to understand the elementary mechanisms behind the formation of the clusters formed upon radiation. Ab initio calculations based on the density functional theory have been performed to determine the interactions of point defects with solute atoms in dilute FeX alloys (X = Cu, Mn, Ni or Si) in order to build a database used to parameterise an atomic kinetic Monte Carlo model. Some results of irradiation damage in dilute Fe-CuNiMnSi alloys obtained with this model are presented.

  18. Electronic structures of the ferrimagnetic double-perovskites Sr2XReO6 (X = Cr, Mn, Fe, Ni) with the modified Becke-Johnson potential

    NASA Astrophysics Data System (ADS)

    Guo, San-Dong

    2015-04-01

    We investigate the electronic structures and magnetic properties of the ferrimagnetic double-perovskites Sr2XReO6 (X = Cr, Mn, Fe, Ni) by using Tran and Blaha's modified Becke and Johnson exchange potential. The calculated results show that Sr2XReO6 (X = Cr, Fe) are half-metals, and Sr2XReO6 (X = Mn, Ni) are insulators, which is in accordance with the experimental results. By using the ionic picture, we explain the trend in the density of states and total magnetic moment with X changing from Cr to Ni. We find that the insulating property is associated with X2 +, while the metallic character is associated with X3 +. The Re t2g splitting in the minority channel leads to insulativity of Sr2XReO6 (X = Mn, Ni), and the Re t2g splitting of Sr2MnReO6 is caused by lattice distortion, while Sr2NiReO6's splitting is due to the heavier atomic mass of Ni. When spin-orbit coupling is included, the spin polarization of Sr2XReO6 (X = Cr, Fe) drifts off 100%, and the related gaps of Sr2XReO6 (X = Mn, Ni) become narrow. The spin-orbit coupling results in a significant increase in the total magnetic moment due to an unquenched Re orbital moment. Our calculated energy band structures show that Sr2MnReO6 is a spin gapless semiconductor, which can realize fully polarized spin-down electrons and spin-up holes.

  19. Single crystal growth and structural characterization of ternary transition-metal uranium oxides: MnUO4, FeUO4, and NiU2O6

    NASA Astrophysics Data System (ADS)

    Read, Cory M.; Smith, Mark D.; zur Loye, Hans-Conrad

    2014-11-01

    Single crystals of MnUO4, FeUO4, and NiU2O6 were grown for the first time. The use of chloride fluxes facilitated the crystal growth. MnUO4, a hexavalent uranium compound, crystallizes in the orthorhombic space group, Imma, with a = 6.6421(19) Å, b = 6.978(2) Å, and c = 6.748(2) Å, and exhibits typical uranyl, UO22+, coordination. FeUO4 and NiU2O6 contain pentavalent uranium and are structurally related, exhibiting three-dimensional connectivity. FeUO4 crystallizes in the orthorhombic space group, Pbcn, with a = 4.8844(2) Å, b = 11.9328(5) Å, c = 5.1070(2) Å. NiU2O6 crystallizes in the trigonal space group, P321, with a = 9.0148(3) Å, c = 5.0144(3) Å.

  20. Study of certain features of the electronic structure of the ternary alloys Ni2(Mn, Fe) and Ni3(Mn, Co)

    NASA Technical Reports Server (NTRS)

    Zhukova, V. M.; Fadin, V. P.

    1981-01-01

    The changes in electronic structure related to transport processes occurring during the alloying of he alloy Ni3Mn with iron and cobalt, and the ordering of the ternary alloys thus formed are presented. The Hall effect, the absolute thermal emf, the internal saturation induction, the Nernst-Ettingshausen constant, and the electrical resistivity were measured. Results show a decrease in the contribution of hole sections of the Fermi surface to the transport process occurs together with a considerable increase in the contribution of electron sections. In this case, the mobility of 3 dimensional holes decreases and the mobility of 4s electrons increases considerably.

  1. First-principles study on the magnetism and electronic structure in 3d transition metal (X=Sc, V, Cr, Mn, Fe, Ni, Cu) doped CoO

    NASA Astrophysics Data System (ADS)

    Liu, R. X.; Wang, X. C.; Chen, G. F.; Yang, B. H.

    2016-03-01

    We have studied the electronic structure and magnetism of the single transitional metal element X=Sc, V, Cr, Mn, Fe, Ni, Cu-doped CoO systems by first-principles calculations. At X=Sc, Cr, Cu, the binding energy of the doped systems is lower than pure CoO, suggesting that these systems are energetically stable. In the Sc, V, Cr, Mn, Fe, Ni, Cu-doped 2×2×2 CoO supercells, the total magnetic moments are 3.03, 5.64, 6.80, 7.70, 6.93, 2.30 and 1.96 μB, respectively. At X=Cr and Fe, the doped CoO systems are half-metallic with a high spin polarization. The large magnetic moment and high spin polarization in the Cr and Fe-doped CoO are important for the design of the spintronic devices.

  2. Multiferroic approach for Cr,Mn,Fe,Co,Ni,Cu substituted BaTiO3 nanoparticles

    NASA Astrophysics Data System (ADS)

    Verma, Kuldeep Chand; Kotnala, R. K.

    2016-05-01

    Multiferroic magnetoelectric (ME) at room temperature is significant for new design nano-scale spintronic devices. We have given a comparative study to report multiferroicity in BaTM0.01Ti0.99O3 [TM = Cr,Mn,Fe,Co,Ni,Cu (1 mol% each) substituted BaTiO3 (BTO)] nanoparticles. The TM ions influenced both nano-size and lattice distortion of Ti–O6 octahedra to the BTO. X ray diffraction study indicates that the dopant TM could influence lattice constants, distortion, tetragonal splitting of diffraction peaks (002/200) as well as peak shifting of diffraction angle in the BTO lattice. This can induce lattice strain which responsible to oxygen defects formation to mediate ferromagnetism. Also, the lattice strain effect could responsible to reduce the depolarization field of ferroelectricity and provide piezoelectric and magnetostrictive strains to enhance ME coupling. The size of BTO nanoparticles is varied in 13–51 nm with TM doping. The room temperature magnetic measurement indicates antiferromagnetic exchange interactions in BTO lattice with TM ions. The zero-field cooling and field cooling magnetic measurement at 500 Oe indicates antiferromagnetic to ferromagnetic transition. It also confirms that the substitution of Cr, Fe and Co into BTO could induce strong antiferromagnetic behavior. However, the substitutions of Mn, Ni and Cu have weak antiferromagnetic character. The temperature dependent dielectric measurements indicates polarization enhancement that influenced with both nano-size as well TM ions and exhibits ferroelectric phase transition with relaxor-like characteristics. Dynamic ME coupling is investigated, and the longitudinal ME voltage coefficient, α ME is equivalent to linear ME coupling coefficient, α (={\\varepsilon }{{o}}{\\varepsilon }{{r}}{α }{{ME}}) is also calculated.

  3. Microstructures and mechanical properties of compositionally complex Co-free FeNiMnCr18 FCC solid solution alloy

    SciTech Connect

    Wu, Z.; Bei, H.

    2015-07-01

    Recently, a structurally-simple but compositionally-complex FeNiCoMnCr high entropy alloy was found to have excellent mechanical properties (e.g., high strength and ductility). To understand the potential of using high entropy alloys as structural materials for advanced nuclear reactor and power plants, it is necessary to have a thorough understanding of their structural stability and mechanical properties degradation under neutron irradiation. Furthermore, this requires us to develop a similar model alloy without Co because material with Co will make post-neutron-irradiation testing difficult due to the production of the 60Co radioisotope. In order to achieve this goal, a FCC-structured single-phase alloy with a composition of FeNiMnCr18 was successfully developed. This near-equiatomic FeNiMnCr18 alloy has good malleability and its microstructure can be controlled by thermomechanical processing. By rolling and annealing, the as-cast elongated-grained-microstructure is replaced by homogeneous equiaxed grains. The mechanical properties (e.g., strength and ductility) of the FeNiMnCr18 alloy are comparable to those of the equiatomic FeNiCoMnCr high entropy alloy. Both strength and ductility increase with decreasing deformation temperature, with the largest difference occurring between 293 and 77 K. Extensive twin-bands which are bundles of numerous individual twins are observed when it is tensile-fractured at 77 K. No twin bands are detected by EBSD for materials deformed at 293 K and higher. Ultimately the unusual temperature-dependencies of UTS and uniform elongation could be caused by the development of the dense twin substructure, twin-dislocation interactions and the interactions between primary and secondary twinning systems which result in a microstructure refinement and hence cause enhanced strain hardening and postponed necking.

  4. Thermodynamic Stability of Transition-Metal-Substituted LiMn2-x Mx O4 (M=Cr, Fe, Co, and Ni) Spinels.

    PubMed

    Lai, Chenying; Chen, Jiewei; Knight, James C; Manthiram, Arumugam; Navrotsky, Alexandra

    2016-07-01

    The formation enthalpies from binary oxides of LiMn2 O4 , LiMn2-x Crx O4 (x=0.25, 0.5, 0.75 and 1), LiMn2-x Fex O4 (x=0.25 and 0.5), LiMn2-x Cox O4 (x=0.25, 0.5, and 0.75) and LiMn1.75 Ni0.25 O4 at 25 °C were measured by high temperature oxide melt solution calorimetry and were found to be strongly exothermic. Increasing the Cr, Co, and Ni content leads to more thermodynamically stable spinels, but increasing the Fe content does not significantly affect the stability. The formation enthalpies from oxides of the fully substituted spinels, LiMnMO4 (M=Cr, Fe and Co), become more exothermic (implying increasing stability) with decreasing ionic radius of the metal and lattice parameters of the spinel. The trend in enthalpy versus metal content is roughly linear, suggesting a close-to-zero heat of mixing in LiMn2 O4 -LiMnMO4 solid solutions. These data confirm that transition-metal doping is beneficial for stabilizing these potential cathode materials for lithium-ion batteries. PMID:27017448

  5. Microstructural stability and mechanical behavior of FeNiMnCr high entropy alloy under ion irradiation

    DOE PAGESBeta

    Leonard, Keith J.; Bei, Hongbin; Zinkle, Steven J.; Kiran Kumar, N. A. P.; Li, C.

    2016-05-13

    In recent years, high entropy alloys (HEAs) have attracted significant attention due to their excellent mechanical properties and good corrosion resistance, making them potential candidates for high temperature fission and fusion structural applications. However there is very little known about their radiation resistance, particularly at elevated temperatures relevant for energy applications. In the present study, a single phase (face centered cubic) concentrated solid solution alloy of composition 27%Fe-28%Ni-27%Mn-18%Cr was irradiated with 3 or 5.8 MeV Ni ions at temperatures ranging from room temperature to 700 °C and midrange doses from 0.03 to 10 displacements per atom (dpa). Transmission electron microscopymore » (TEM), scanning transmission electron microscopy with energy dispersive x-ray spectrometry (STEM/EDS) and X-ray diffraction (XRD) were used to characterize the radiation defects and microstructural changes. Irradiation at higher temperatures showed evidence of relatively sluggish solute diffusion with limited solute depletion or enrichment at grain boundaries. The main microstructural feature at all temperatures was high-density small dislocation loops. Voids were not observed at any irradiation condition. Nano-indentation tests on specimens irradiated at room temperature showed a rapid increase in hardness ~35% and ~80% higher than the unirradiated value at 0.03 and 0.3 dpa midrange doses, respectively. The irradiation-induced hardening was less pronounced for 500 °C irradiations (<20% increase after 3 dpa). Overall, the examined HEA material exhibits superior radiation resistance compared to conventional single phase Fe-Cr-Ni austenitic alloys such as stainless steels. Furthermore, the present study provides insight on the fundamental irradiation behavior of a single phase HEA material over a broad range of irradiation temperatures.« less

  6. Formation and evolution of MnNi clusters in neutron irradiated dilute Fe alloys modelled by a first principle-based AKMC method

    NASA Astrophysics Data System (ADS)

    Ngayam-Happy, R.; Becquart, C. S.; Domain, C.; Malerba, L.

    2012-07-01

    An atomistic Monte Carlo model parameterised on electronic structure calculations data has been used to study the formation and evolution under irradiation of solute clusters in Fe-MnNi ternary and Fe-CuMnNi quaternary alloys. Two populations of solute rich clusters have been observed, which can be discriminated by whether or not the solute atoms are associated with self-interstitial clusters. Mn-Ni-rich clusters are observed at a very early stage of the irradiation in both modelled alloys, whereas the quaternary alloys contain also Cu-containing clusters. Mn-Ni-rich clusters nucleate very early via a self-interstitial-driven mechanism, earlier than Cu-rich clusters; the latter, however, which are likely to form via a vacancy-driven mechanism, grow in number much faster than the former, helped by the thermodynamic driving force to Cu precipitation in Fe, thereby becoming dominant in the low dose regime. The kinetics of the number density increase of the two populations is thus significantly different. Finally the main conclusion suggested by this work is that the so-called late blooming phases might as well be neither late, nor phases.

  7. Size-dependent magnetic properties of 100-500 nm diameter IrMn/NiFe disks made by a two-step deposition process

    NASA Astrophysics Data System (ADS)

    Liu, F.; Ross, C. A.

    2014-11-01

    A two-step etching and deposition process is presented for making nanoscale exchange-biased NiFe/IrMn disks, and their magnetic properties are described as a function of diameter and thickness. The exchange bias in nanodots with diameters of 100-500 nm was reduced and the coercivity enhanced compared to the continuous film. Etching of the NiFe film prior to depositing the IrMn lowered the exchange bias; and the exchange bias also decreased as dot diameter decreased. The results are interpreted in terms of the relation between dot size and the antiferromagnetic domain size in the IrMn. The two-step process will be useful in introducing exchange bias at local regions of a ferromagnetic film.

  8. Fatigue Crack Propagation in Intercritically Tempered Fe-9Ni-0.1C and Fe-4Mn-0.15C

    NASA Astrophysics Data System (ADS)

    Choi, H. J.; Schwartz, L. H.

    1983-06-01

    Fatigue crack propagation was studied for two intercritically tempered cryogenic steels, Fe-9Ni-0.1C and Fe-4Mn-0.15C, at both intermediate (stage II) and low (stage I, near threshold) stress intensity ranges. Propagation rates were determined for varying intercritical tempering times corresponding to varying amounts of retained austenite and untempered martensite. The results show that the heat treatments that optimize impact fracture properties in the nickel steel are also beneficial with respect to the fatigue crack propagation rate in stage I, while no beneficial effect beyond that attributable to carbon redistribution was observed for stage II. For the manganese steel, heat treatments leading to increased concentrations of retained austenite also increased the threshold stress even though no improvement in fracture toughness was observed. To clarify the origin of this improved behavior, the fracture surface was analyzed by Mössbauer Spectroscopy and Auger Electron Microprobe. The Mössbauer results indicated that the retained austenite in the crack path is transformed to martensite as was earlier shown in this laboratory for Charpy specimens. Auger composition analysis suggested a tendency for a stage I crack tip to avoid the mechanically induced brittle untempered martensite in the Fe-Mn steel, while no such preference was observed for stage II.

  9. Phase transformation controlled tetragonality of MnNi-based nanocrystals

    NASA Astrophysics Data System (ADS)

    Shen, Jian; Dai, Qilin; Ren, Shenqiang

    2016-03-01

    The phase transformation controlled tetragonality of MnNi nanostructures has attracted wide interest for their shape memory effect. In this study, MnNi nanocrystals were selected to epitaxially grow an FeCo shell, where the antiferromagnetic L10 phase transformation of the MnNi core triggers the tetragonal distortion in the magnetically soft FeCo shell. The tetragonality change of L10 MnNi under thermal annealing enables the control of the tetragonality of the FeCo phase, ultimately increasing magnetocrystalline anisotropy and coercivity. This study opens up a new route to fabricate functional nanostructures with unique magnetic properties.

  10. Experimental investigation of off-stoichiometry and 3d transition metal (Mn, Ni, Cu)-substitution in single-crystalline FePt thin films

    NASA Astrophysics Data System (ADS)

    Ono, Takuya; Nakata, Hitoshi; Moriya, Tomohiro; Kikuchi, Nobuaki; Okamoto, Satoshi; Kitakami, Osamu; Shimatsu, Takehito

    2016-05-01

    In L10 (fct)-FePt thin films, both tuning Fe and Pt concentrations and substitution with third-metal were studied for magnetic characteristic optimization. We investigated single-crystalline FePt-X (X = Mn, Ni, Cu) thin films grown epitaxially on MgO(001) substrates at a substrate temperature of 350 °C by changing Fe, Pt, and X contents, and explored the effects of off-stoichiometry and 3d-metal-substitution. The magnetic moment per atom (m) of FePt-X films as a function of the effective number of valence electrons (neff) in 3d metal sites follows the Slater-Pauling-type trend, by which m decreases by the neff deviation from neff = 8, independently of the X metal and the Pt concentration. The magnetic anisotropy (Ku) exhibits neff dependence similar to m. This trend was almost independent of the Pt concentration after compensation using the theoretical prediction on the relation between Ku and Fe/Pt concentrations. Such a trend has been proved for stoichiometric FePt-X films, but it was clarified as robust against off-stoichiometry. The compensated Ku ( Ku comp ) of FePt-Mn and FePt-Cu followed a similar trend to that predicted by the rigid-band model, although the Ku comp of the FePt-Mn thin films dropped more rapidly than the rigid band calculation. However, it followed the recent first-principles calculation.

  11. Dye-Sensitized Cu2 XSnS4 (X=Zn, Ni, Fe, Co, and Mn) Nanofibers for Efficient Photocatalytic Hydrogen Evolution.

    PubMed

    Gonce, Mehmet Kerem; Aslan, Emre; Ozel, Faruk; Hatay Patir, Imren

    2016-03-21

    The photocatalytic hydrogen evolution activities of low-cost and noble-metal-free Cu2 XSnS4 (X=Zn, Ni, Fe, Co, and Mn) nanofiber catalysts have been investigated using triethanolamine as an electron donor and eosin Y as a photosensitizer under visible-light irradiation. The rates of hydrogen evolution by Cu2 XSnS4 (X=Zn, Ni, Fe, Co, and Mn) nanofibers have been compared with each other and with that of the noble metal Pt. The hydrogen evolution rates for the nanofibers change in the order Cu2 NiSnS4 >Cu2 FeSnS4 >Cu2 CoSnS4 >Cu2 ZnSnS4 >Cu2 MnSnS4 (2028, 1870, 1926, 1420, and 389 μmol g(-1)  h(-1) , respectively). The differences between the hydrogen evolution rates of the nanofibers could be attributed to their energy levels. Moreover, Cu2 NiSnS4 , Cu2 FeSnS4 , and Cu2 CoSnS4 nanofibers show higher and more stable photocatalytic hydrogen production rates than that of the noble metal Pt under long-term irradiation with visible light. PMID:26880355

  12. Exact ab initio transport coefficients in bcc Fe-X (X=Cr, Cu, Mn, Ni, P, Si) dilute alloys

    NASA Astrophysics Data System (ADS)

    Messina, Luca; Nastar, Maylise; Garnier, Thomas; Domain, Christophe; Olsson, Pär

    2014-09-01

    Defect-driven diffusion of impurities is the major phenomenon leading to formation of embrittling nanoscopic precipitates in irradiated reactor pressure vessel (RPV) steels. Diffusion depends strongly on the kinetic correlations that may lead to flux coupling between solute atoms and point defects. In this work, flux coupling phenomena such as solute drag by vacancies and radiation-induced segregation at defect sinks are systematically investigated for six bcc iron-based dilute binary alloys, containing Cr, Cu, Mn, Ni, P, and Si impurities, respectively. First, solute-vacancy interactions and migration energies are obtained by means of ab initio calculations; subsequently, self-consistent mean field theory is employed in order to determine the exact Onsager matrix of the alloys. This innovative multiscale approach provides a more complete treatment of the solute-defect interaction than previous multifrequency models. Solute drag is found to be a widespread phenomenon that occurs systematically in ferritic alloys and is enhanced at low temperatures (as for instance RPV operational temperature), as long as an attractive solute-vacancy interaction is present, and that the kinetic modeling of bcc alloys requires the extension of the interaction shell to the second-nearest neighbors. Drag occurs in all alloys except Fe(Cr); the transition from dragging to nondragging regime takes place for the other alloys around (Cu, Mn, Ni) or above (P, Si) the Curie temperature. As far as only the vacancy-mediated solute migration is concerned, Cr depletion at sinks is foreseen by the model, as opposed to the other impurities which are expected to enrich up to no less than 1000 K. The results of this study confirm the current interpretation of the hardening processes in ferritic-martensitic steels under irradiation.

  13. Electron microscopy investigation and electrochemical performance of carbon-coated LiFe0.7Mn0.2Ni0.1PO4 for lithium ion battery

    NASA Astrophysics Data System (ADS)

    Rohman, Fadli; Suwandi, Endang; Majid, Nurhalis; Subhan, Achmad

    2016-02-01

    The carbon-coated LiFe0.7Mn0.2Ni0.1PO4 was synthesized using solid state reaction method and sintering process. The carbon was coated on the surface of the LiFe0.7Mn0.2Ni0.1PO4 particle using citric acid as the carbon source. the crystal phase and diffraction peak of the particle was shown from X-Ray Diffraction characterization. The particle morphology and size distribution of this material was investigated using Scanning Electron Microscopy (SEM). The thickness of the carbon coating and the crystal lattice spacing was investigated using Transmission Electron Microscopy (TEM). The particle size, carbon coating thickness, and crystal lattice spacing were found to be 10 - 50 µm, 4 nm, and Å, respectively. The effect of the carbon layer on the surface of the LiFe0.7Mn0.2Ni0.1PO4 particle as a cathode material in lithium-ion battery exhibited in the electrochemical performance test as shown in cyclic voltammetry and charge-discharge measurement test. According to the cyclic voltammetry test, it was shown that the redox peaks of the carbon-coated LiFe0.7Mn0.2Ni0.1PO4 from Fe2+ to Fe3+ were at 3.579 V and 2.96 V, but there was lower peak at 3.52 V. This phenomenon indicated the presence of doped Mn and Ni. The specific capacity of carbon coated LiFe0.7Mn0.2Ni0.1PO4 was 49 mAh/g, which was higher than uncoated LiFe0.7Mn0.2Ni0.1PO4, 30 mAh/g. On the other hand, after 40 cycles the specific capacity of carbon-coated LiFe0.7Mn0.2Ni0.1PO4 was decreasing to 10%, while the specific capacity of uncoated LiFe0.7Mn0.2Ni0.1PO4 remained almost similar before and after 40 cycles. In term of columbic efficiency, carbon-coated LiFe0.7Mn0.2Ni0.1PO4 was more stable, better than uncoated LiFe0.7Mn0.2Ni0.1PO4. Moreover, all samples were in close proximity to 100% efficiency. The C-rates test result showed that the discharge C-rates ability of the carbon coated LiFe0.7Mn0.2Ni0.1PO4 had been better than uncoated LiFe0.7Mn0.2Ni0.1PO4. At 1.5 C rate, the capacity loss of carbon-coated LiFe0

  14. The first principle study of magnetic properties of Mn2WSn, Fe2YSn (Y=Ti, V), Co2YSn (Y=Ti, Zr, Hf, V, Mn) and Ni2YSn (Y=Ti, Zr, Hf, V, Mn) heusler alloys

    NASA Astrophysics Data System (ADS)

    Rauf, Sana; Arif, Suneela; Haneef, Muhammad; Amin, Bin

    2015-01-01

    The spin polarized electronic band structures, density of states (DOS) and magnetic properties of Mn2WSn, Fe2YSn (Y=Ti, V), Co2YSn (Y=Ti, Zr, Hf, V, Mn) and Ni2YSn (Y=Ti, Zr, Hf, V, Mn) huesler compounds are reported. The calculations are performed by using full-potential linearized augmented plane wave method (FP-LAPW) within density functional theory. The magnetic trend in these compounds is studied using values of magnetic moments, exchange interaction and calculated band gap. The results reveal that Mn2WSn and Ni2VSn show 100% spin polarization, Co2YSn (Y=Ti, Zr, Hf, Mn), Fe2YSn (Y=Ti, V), and Ni2MnSn exhibit metallic nature and Ni2YSn (Y=Ti, Zr, Hf) and Co2VSn show semi-conducting behavior.

  15. Enhancement of exchange bias and training effect in ion-beam sputtered Fe{sub 46}Mn{sub 54}/Ni{sub 81}Fe{sub 19} bilayers

    SciTech Connect

    Fulara, Himanshu; Chaudhary, Sujeet Kashyap, Subhash C.; Granville, Simon

    2014-01-28

    We present a remarkable enhancement by 300% of the exchange-bias field at room temperature, without affecting the coercivity value, via optimum magnetic annealing (250 °C/3 kOe) in ion-beam sputtered FeMn(30 nm)/NiFe(10 nm) bilayers. This specific behavior has been attributed to a higher degree of γ-FeMn(111) orientation that offers more interfacial FeMn moments to get pinned with the moments of the adjacent NiFe layer. Unlike the absence of training effect at room temperature, a pronounced training effect and an accompanying magnetization reversal asymmetry are evidenced upon field cooling below 50 K due to the presence of biaxial exchange induced anisotropy across the interdiffused FeMn/NiFe interface. The present findings not only have technological significance but also are of relevance to the understanding of interfacial spin disorder and frustration in these exchange-biased systems.

  16. Studies on the Synthesis and Physico-Chemical Properties of Porous LiFe₀.₉M₀.₁P₂O₇ (M = Fe, Co, Mn, Ni) Nanoparticles.

    PubMed

    Sudha, Y; Sankar, K Vijaya; Layek, Samar; Sanjeeviraja, C; Selvan, R Kalai

    2016-01-01

    The nano-porous LiFe₀.₉M₀.₁P₂O₇ (M = Fe, Co, Mn, Ni) particles were successfully prepared by simple microwave assisted combustion method and studied its detailed physico-chemical properties. The phase purity, crystallinity, functional group identification was revealed through X-ray diffraction (XRD), Fourier Transform Infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS) analysis. The presence of nanoporous was identified through transmission electron microscopic (TEM) images. The electrical conductivity results illustrated that LiFe₀.₉Ni₀.₁P₂O₇ has higher conductivity (2.85 x 10⁻⁷ S cm⁻¹) among the studied systems owing to their negligible grain boundary effect. The normal dielectric behaviour was observed for all the LiFe₀.₉M₀.₁P₂O₇ (M = Fe, Co, Mn, Ni) materials. The paramagnetic behaviour and the Fe³⁺ state of LiFe₀.₉M₀.₁P₂O₇ were obtained from VSM and Mössbauer spectral analysis respectively. The cyclic voltammogram suggested that the good electrochemical lithium intercalation/de-intercalation behaviour of LiFe₀.₉M₀.₁P₂O₇ (M = Fe, Co, Mn, Ni) electrodes in aqueous electrolytes. The obtained diffusion coefficient value is comparable with carbon based materials. PMID:27398464

  17. Effect of Rotating Magnetic Field (RMF) on Segregation of Solute Elements in CuNi10Fe1Mn Alloy Hollow Billet

    NASA Astrophysics Data System (ADS)

    Yan, Zhiming; Jin, Wenzhong; Li, Tingju

    2012-09-01

    The effect of rotating magnetic field (RMF) on macro/microsegregation of solute elements is investigated experimentally, and a comprehensive three-dimensional mathematical model is built, and the finite element package ANSYS® is employed to calculate the distribution of temperature and liquid fraction along the radial direction in horizontal continuous casting of CuNi10Fe1Mn alloy hollow billet. The results show that RMF makes the temperature field and liquid fraction uniform. The original inhomogeneous columnar grain macrostructure turns into homogeneous equiaxed grain structure, and the macro/microsegregation of Ni, Fe, and Mn elements are restrained effectively with the application of RMF. Moreover, the action mechanism of RMF is discussed to explain its effect on improving the distribution of solute elements.

  18. Alternating magnetic anisotropy of Li2(Li1–xTx)N (T = Mn, Fe, Co, and Ni)

    SciTech Connect

    Jesche, A.; Ke, L.; Jacobs, J. L.; Harmon, B.; Houk, R. S.; Canfield, P. C.

    2015-05-11

    Substantial amounts of the transition metals Mn, Fe, Co, and Ni can be substituted for Li in single crystalline Li2(Li1–xTx)N. Isothermal and temperature-dependent magnetization measurements reveal local magnetic moments with magnitudes significantly exceeding the spin-only value. The additional contributions stem from unquenched orbital moments that lead to rare-earth-like behavior of the magnetic properties. Accordingly, extremely large magnetic anisotropies have been found. Most notably, the magnetic anisotropy alternates as easy plane→easy axis→easy plane→easy axis when progressing from T = MnFe → Co → Ni. This behavior can be understood based on a perturbation approach in an analytical, single-ion model. As a result, the calculated magnetic anisotropies show surprisingly good agreement with the experiment and capture the basic features observed for the different transition metals.

  19. Electronic and magnetic properties of a new diluted magnetic semiconductor Li(Zn,TM)As (TM:V, Cr, Mn, Fe, Co and Ni)

    NASA Astrophysics Data System (ADS)

    Tao, H. L.; Lin, L.; Zhang, Z. H.; He, M.; Song, B.

    2016-07-01

    First-principles calculations were performed to study electronic structures and magnetic properties of transition metal (TM) doped LiZnAs system. V, Mn, Fe and Co doped LiZnAs preferred anti-ferromagnetic states while no magnetisms were found for Cr and Ni-doped LiZnAs system. In contrast, V/Li, Cr/Li, Mn/Li, Fe/Li and Co/Li codoped LiZnAs preferred ferromagnetic couplings between the TM atoms other than the anti-ferromagnetic states. Thus off-stoichiometry of Li is very essential for the preparation of ferromagnetic LiZnAs materials. For Ni/Li-codoped LiZnAs, anti-ferromagnetic is more stable, which is resulted from the through-bond spin polarization mechanism.

  20. Temperature dependencies of the elastic moduli and thermal expansion coefficient of an equiatomic, single-phase CoCrFeMnNi high-entropy alloy

    DOE PAGESBeta

    Laplanche, G.; Gadaud, P.; Horst, O.; Otto, F.; Eggeler, G.; George, E.

    2014-11-15

    The equiatomic CoCrFeMnNi alloy is now regarded as a model face-centered cubic single-phase high-entropy alloy. Consequently, determination of its intrinsic properties such as the temperature dependencies of elastic moduli and thermal expansion coefficient are important to improve understanding of this new class of material. Lastly, these temperature dependencies were measured over a large temperature range (200–1270 K) in this study.

  1. Preparation, crystal structure and magnetic behavior of new double perovskites Sr{sub 2} B'UO{sub 6} with B'=Mn, Fe, Ni, Zn

    SciTech Connect

    Pinacca, R.M.; Viola, M.C.; Pedregosa, J.C.; Martinez-Lope, M.J.; Carbonio, R.E.; Alonso, J.A.

    2007-05-15

    Sr{sub 2} B'UO{sub 6} double perovskites with B'=Mn, Fe, Ni, Zn have been prepared in polycrystalline form by solid-state reaction, in air or reducing conditions. These new materials have been studied by X-ray diffraction (XRD), magnetic susceptibility and magnetization measurements. The room-temperature crystal structure is monoclinic (space group P2{sub 1}/n), and contains alternating B'O{sub 6} and UO{sub 6} octahedra sharing corners, tilted along the three pseudocubic axes according to the Glazer notation a {sup -} a {sup -} b {sup +}. The magnetic measurements show a spontaneous magnetic ordering below T {sub N}=21 K for B'=Mn, Ni, and T {sub C}=150 K for B'=Fe. From a Curie-Weiss fit, the effective paramagnetic moment for B'=Mn (5.74 {mu}{sub B}/f.u.) and B'=Ni(3.51 {mu}{sub B}/f.u.) are significantly different from the corresponding spin-only moments for the divalent cations, suggesting the possibility of a partial charge disproportionation B'{sup 2+}+U {sup 6+}{r_reversible}B'{sup 3+}+U {sup 5+}, also accounting for plausible ferrimagnetic interactions between B' and U sublattices. The strong curvature of the reciprocal susceptibility for B'=Fe precludes a Curie-Weiss fit but also suggests the presence of ferrimagnetic interactions in this compound. This charge disproportionation effect is also supported by the observed B'-O distances, which are closer to the expected values for high-spin, trivalent Mn, Fe and Ni cations. - Graphical abstract: The title double perovskites are monoclinic, space group P2{sub 1}/n, and the magnetic properties suggest the possibility of a partial charge disproportionation B'{sup 2+}+U {sup 6+}{r_reversible}B'{sup 3+}+U {sup 5+}, accounting for plausible ferrimagnetic interactions between B' and U sublattices.

  2. Nanoscale origins of the damage tolerance of the high-entropy alloy CrMnFeCoNi

    PubMed Central

    Zhang, ZiJiao; Mao, M. M.; Wang, Jiangwei; Gludovatz, Bernd; Zhang, Ze; Mao, Scott X.; George, Easo P.; Yu, Qian; Ritchie, Robert O.

    2015-01-01

    Damage tolerance can be an elusive characteristic of structural materials requiring both high strength and ductility, properties that are often mutually exclusive. High-entropy alloys are of interest in this regard. Specifically, the single-phase CrMnFeCoNi alloy displays tensile strength levels of ∼1 GPa, excellent ductility (∼60–70%) and exceptional fracture toughness (KJIc>200 MPa√m). Here through the use of in situ straining in an aberration-corrected transmission electron microscope, we report on the salient atomistic to micro-scale mechanisms underlying the origin of these properties. We identify a synergy of multiple deformation mechanisms, rarely achieved in metallic alloys, which generates high strength, work hardening and ductility, including the easy motion of Shockley partials, their interactions to form stacking-fault parallelepipeds, and arrest at planar slip bands of undissociated dislocations. We further show that crack propagation is impeded by twinned, nanoscale bridges that form between the near-tip crack faces and delay fracture by shielding the crack tip. PMID:26647978

  3. Nanoscale origins of the damage tolerance of the high-entropy alloy CrMnFeCoNi

    SciTech Connect

    Zhang, ZiJiao; Mao, M. M.; Wang, Jiangwei; Gludovatz, Bernd; Zhang, Ze; Mao, Scott X.; George, Easo P.; Yu, Qian; Ritchie, Robert O.

    2015-12-09

    Damage tolerance can be an elusive characteristic of structural materials requiring both high strength and ductility, properties that are often mutually exclusive. High-entropy alloys are of interest in this regard. Specifically, the single-phase CrMnFeCoNi alloy displays tensile strength levels of ~1 GPa, excellent ductility (~60–70%) and exceptional fracture toughness (KJIc>200M Pa√m). Here through the use of in situ straining in an aberration-corrected transmission electron microscope, we report on the salient atomistic to micro-scale mechanisms underlying the origin of these properties. We identify a synergy of multiple deformation mechanisms, rarely achieved in metallic alloys, which generates high strength, work hardening and ductility, including the easy motion of Shockley partials, their interactions to form stacking-fault parallelepipeds, and arrest at planar slip bands of undissociated dislocations. In conclusion, we further show that crack propagation is impeded by twinned, nanoscale bridges that form between the near-tip crack faces and delay fracture by shielding the crack tip.

  4. Nanoscale origins of the damage tolerance of the high-entropy alloy CrMnFeCoNi

    DOE PAGESBeta

    Zhang, ZiJiao; Mao, M. M.; Wang, Jiangwei; Gludovatz, Bernd; Zhang, Ze; Mao, Scott X.; George, Easo P.; Yu, Qian; Ritchie, Robert O.

    2015-12-09

    Damage tolerance can be an elusive characteristic of structural materials requiring both high strength and ductility, properties that are often mutually exclusive. High-entropy alloys are of interest in this regard. Specifically, the single-phase CrMnFeCoNi alloy displays tensile strength levels of ~1 GPa, excellent ductility (~60–70%) and exceptional fracture toughness (KJIc>200M Pa√m). Here through the use of in situ straining in an aberration-corrected transmission electron microscope, we report on the salient atomistic to micro-scale mechanisms underlying the origin of these properties. We identify a synergy of multiple deformation mechanisms, rarely achieved in metallic alloys, which generates high strength, work hardening andmore » ductility, including the easy motion of Shockley partials, their interactions to form stacking-fault parallelepipeds, and arrest at planar slip bands of undissociated dislocations. In conclusion, we further show that crack propagation is impeded by twinned, nanoscale bridges that form between the near-tip crack faces and delay fracture by shielding the crack tip.« less

  5. Thermal Behavior of Mechanically Alloyed Powders Used for Producing an Fe-Mn-Si-Cr-Ni Shape Memory Alloy

    NASA Astrophysics Data System (ADS)

    Pricop, B.; Söyler, U.; Lohan, N. M.; Özkal, B.; Bujoreanu, L. G.; Chicet, D.; Munteanu, C.

    2012-11-01

    In order to produce shape memory rings for constrained-recovery pipe couplings, from Fe-14 Mn-6 Si-9 Cr-5 Ni (mass%) powders, the main technological steps were (i) mechanical alloying, (ii) sintering, (iii) hot rolling, (iv) hot-shape setting, and (v) thermomechanical training. The article generally describes, within its experimental-procedure section, the last four technological steps of this process the primary purpose of which has been to accurately control both chemical composition and the grain size of shape memory rings. Details of the results obtained in the first technological step, on raw powders employed both in an initial commercial state and in a mixture state of commercial and mechanically alloyed (MA) powders, which were subjected to several heating-cooling cycles have been reported and discussed. By means of differential scanning calorimetry (DSC), scanning electron microscopy (SEM), and X-ray diffraction (XRD), the thermal behaviors of the two sample powders have been analyzed. The effects of the heating-cooling cycles, on raw commercial powders and on 50% MA powders, respectively, were argued from the point of view of specific temperatures and heat variations, of elemental diffusion after thermal cycling and of crystallographic parameters, determined by DSC, SEM, and XRD, respectively.

  6. Nanoscale origins of the damage tolerance of the high-entropy alloy CrMnFeCoNi.

    PubMed

    Zhang, ZiJiao; Mao, M M; Wang, Jiangwei; Gludovatz, Bernd; Zhang, Ze; Mao, Scott X; George, Easo P; Yu, Qian; Ritchie, Robert O

    2015-01-01

    Damage tolerance can be an elusive characteristic of structural materials requiring both high strength and ductility, properties that are often mutually exclusive. High-entropy alloys are of interest in this regard. Specifically, the single-phase CrMnFeCoNi alloy displays tensile strength levels of ∼ 1 GPa, excellent ductility (∼ 60-70%) and exceptional fracture toughness (KJIc>200 MPa√m). Here through the use of in situ straining in an aberration-corrected transmission electron microscope, we report on the salient atomistic to micro-scale mechanisms underlying the origin of these properties. We identify a synergy of multiple deformation mechanisms, rarely achieved in metallic alloys, which generates high strength, work hardening and ductility, including the easy motion of Shockley partials, their interactions to form stacking-fault parallelepipeds, and arrest at planar slip bands of undissociated dislocations. We further show that crack propagation is impeded by twinned, nanoscale bridges that form between the near-tip crack faces and delay fracture by shielding the crack tip. PMID:26647978

  7. Influence of transition metals (Cr, Mn, Fe, Co and Ni) on the methane combustion over Pd/Ce-Zr/Al 2O 3 catalyst

    NASA Astrophysics Data System (ADS)

    Yue, Baohua; Zhou, Renxian; Wang, Yuejuan; Zheng, Xiaoming

    2006-06-01

    The effects of transition metals (Cr, Mn, Fe, Co and Ni) on the catalytic properties of Pd/Ce-Zr/Al 2O 3 catalyst for methane combustion have been investigated. The supported Pd catalysts are characterized by BET, XRD, TEM, TPR, TPO and TPSR measurements. Activity tests in methane combustion show that Pd/Ce-Zr-Ni/Al 2O 3 has the highest catalytic activity and thermal stability among all catalysts. The results of TEM show that the addition of Ni to Pd/Ce-Zr/Al 2O 3 increases the dispersion of Pd component and inhibits the site growth. The results of TPO and TPSR show that the addition of Ni inhibits the decomposition of PdO particles and improves the reduction-reoxidation properties of the active PdO species, which increases the catalytic activity and thermal stability of the Pd/Ce-Zr/Al 2O 3 catalyst.

  8. Microstructural Investigation of Fe-Ni-Mn-Mo-V-C-N Ferritic Steels by Neutron Diffraction

    NASA Astrophysics Data System (ADS)

    Baeva, M.; Beskrovnyi, A. I.; Parshorov, I.; Vassilovskii, S. G.

    2010-01-01

    The design of alloys, that economize strategic element as chromium requires detailed physical investigations of their structure and phase composition. In the search for new materials in the last two decades a new class of Fe alloys was composed—the so-called nitrogen steels. The contemporary achievements in the casting technology—the use of nitrogen under high preasure above the melt—made possible the production of Fe alloys with nitrogen concentration even above 0.4 wt%. The wide application of investigated alloy system is connected with creation of alloys without presence of strong carbides-forming elements. The microstructure and phase formation of these new materials are insufficiently studied. The aim of this work is to characterize the microstructure and phase composition of two series Fe-alloys casted with and without nitrogen pressure above the melt. The so cast steels appear as experimental ones and they are directed to demonstrate the possibility for nitrogen doping of steels without presence of Chromium in them. The latter is technologically difficult to fulfil at usual conditions. Six samples [with lower nitrogen, N = 0.0111 wt%] are cast at normal pressure, and six samples [with higher nitrogen, N0.2121 wt%] are cast at pressure of 10.106 Pa. The results of Rietveld structure analysis of Time-Of-Flight neutron diffraction data show that studied steels consist of purely ferritic crystal phase (Body Centered Cubic crystal lattice).

  9. Investigation of structural and magnetic properties of co-precipitated Mn-Ni ferrite nanoparticles in the presence of α-Fe2O3 phase

    NASA Astrophysics Data System (ADS)

    Tirupanyam, B. V.; Srinivas, Ch.; Meena, S. S.; Yusuf, S. M.; Satish Kumar, A.; Sastry, D. L.; Seshubai, V.

    2015-10-01

    A systematic study on structural and magnetic properties of co-precipitated MnxNi1-xFe2O4 (x=0.5, 0.6, 0.7) ferrite nanoparticles annealed at 800 °C was carried out using XRD, FE-SEM, VSM and MÖSSBAUER techniques. Anti-ferromagnetic α-Fe2O3 phase was observed along with the magnetic spinel phase in the XRD patterns. It is observed that both lattice parameter and crystallite size of spinel phase increase with increase in concentration of Mn2+ along with the amount of α-Fe2O3 phase. The saturation magnetization (Ms) decreases while coercivity (Hc) increases with increase of Mn2+ ion concentration. Mössbauer spectra indicate that iron ions present in A and B sites are in the Fe3+ state and Fe2+ is absent. The results are interpreted in terms of observed anti-ferromagnetic α-Fe2O3 phase, core-shell interactions and cation redistribution.

  10. Study of angular dependence of exchange bias and misalignment in uniaxial and unidirectional anisotropy in NiFe(111)/FeMn(111)/CoFeB(amorphous) stack

    NASA Astrophysics Data System (ADS)

    Singh, Braj Bhusan; Chaudhary, Sujeet

    2015-07-01

    We report the investigation of the in-plane azimuthal angular dependence of the magnetization reversal in the ion beam sputtered exchanged biased NiFe(111)/FeMn(111)/CoFeB(amorphous) stack. Compared to the as-deposited case, the magnetic annealing resulted in 3 fold enhancement in exchange bias but decrease in coercivity. The observed cosine dependence of exchange biased CoFeB layer on the in-plane azimuthal angle of applied field is corroborated with Meiklejohn and Bean model. The training effect associated with the exchange bias showed unconventional increase in coercivity after first cycle of hysteresis loop, while the exchange bias decreases sharply, and for subsequent cycles the exchange bias follows the empirical relation based on the energy dissipation in the AF layer. The ferromagnetic resonance (FMR) measurements also exhibited the in-plane azimuthal angle dependence of the magnetic resonance field indicating that the uniaxial and unidirectional anisotropies are not collinear, although they lie in the same plane. However, no misalignment between the unidirectional anisotropy and the exchange bias direction is observed. The misalignment angle between the uniaxial and unidirectional anisotropy, as measured by FMR, is found to be 10° and 14° for CoFeB and NiFe, respectively. This misalignment is attributed to the interface roughness as revealed by x-ray reflectance measurements.

  11. High-Strength Low-Carbon Ferritic Steel Containing Cu-Fe-Ni-Al-Mn Precipitates

    NASA Astrophysics Data System (ADS)

    Vaynman, Semyon; Isheim, Dieter; Prakash Kolli, R.; Bhat, Shrikant P.; Seidman, David N.; Fine, Morris E.

    2008-02-01

    An investigation of a low-carbon, Fe-Cu-based steel, for Naval ship hull applications, with a yield strength of 965 MPa, Charpy V-notch absorbed impact-energy values as high as 74 J at -40 °C, and an elongation-to-failure greater than 15 pct, is presented. The increase in strength is derived from a large number density (approximately 1023 to 1024 m-3) of copper-iron-nickel-aluminum-manganese precipitates. The effect on the mechanical properties of varying the thermal treatment was studied. The nanostructure of the precipitates found within the steel was characterized by atom-probe tomography. Additionally, initial welding studies show that a brittle heat-affected zone is not formed adjacent to the welds.

  12. Na2M2(SO4)3 (M = Fe, Mn, Co and Ni): towards high-voltage sodium battery applications.

    PubMed

    Araujo, Rafael B; Chakraborty, Sudip; Barpanda, Prabeer; Ahuja, Rajeev

    2016-04-14

    Sodium-ion-based batteries have evolved as excellent alternatives to their lithium-ion-based counterparts due to the abundance, uniform geographical distribution and low price of Na resources. In the pursuit of sodium chemistry, recently the alluaudite framework Na2M2(SO4)3 has been unveiled as a high-voltage sodium insertion system. In this context, the framework of density functional theory has been applied to systematically investigate the crystal structure evolution, density of states and charge transfer with sodium ions insertion, and the corresponding average redox potential, for Na2M2(SO4)3 (M = Fe, Mn, Co and Ni). It is shown that full removal of sodium atoms from the Fe-based device is not a favorable process due to the 8% volume shrinkage. The imaginary frequencies obtained in the phonon dispersion also reflect this instability and the possible phase transition. This high volume change has not been observed in the cases of the Co- and Ni-based compounds. This is because the redox reaction assumes a different mechanism for each of the compounds investigated. For the polyanion with Fe, the removal of sodium ions induces a charge reorganization at the Fe centers. For the Mn case, the redox process induces a charge reorganization of the Mn centers with a small participation of the oxygen atoms. The Co and Ni compounds present a distinct trend with the redox reaction occurring with a strong participation of the oxygen sublattice, resulting in a very small volume change upon desodiation. Moreover, the average deintercalation potential for each of the compounds has been computed. The implications of our findings have been discussed both from the scientific perspective and in terms of technological aspects. PMID:26996444

  13. Synthesis, molecular and electronic structures of six-coordinate transition metal (Mn, Fe, Co, Ni, Cu, and Zn) complexes with redox-active 9-hydroxyphenoxazin-1-one ligands.

    PubMed

    Ivakhnenko, Eugeny P; Starikov, Andrey G; Minkin, Vladimir I; Lyssenko, Konstantin A; Antipin, Mikhail Yu; Simakov, Vladimir I; Korobov, Mikhail S; Borodkin, Gennady S; Knyazev, Pavel A

    2011-08-01

    A series of pseudo-octahedral metal (M = Mn, Fe, Co, Ni, Cu, Zn) complexes 4 of a new redox-active ligand, 2,4,6,8-tetra(tert-butyl)-9-hydroxyphenoxazin-1-one 3, have been synthesized, and their molecular structures determined with help of X-ray crystallography. The effective magnetic moments of complexes 4 (M = Mn, Fe, Co, and Ni) measured in the solid state and toluene solution point to the stabilization of their high-spin electronic ground states. Detailed information on the electronic structure of the complexes and their redox-isomeric forms has been obtained using density functional theory (DFT) B3LYP*/6-311++G(d,p) calculations. The energy disfavored low-spin structures of manganese, iron, and cobalt complexes have been located, and based on the computed geometries and distribution of spin densities identified as Mn(IV)[(Cat-N-SQ)](2), Fe(II)[Cat-N-BQ)](2), and Co(II)[Cat-N-BQ)](2) compounds, respectively. It has been shown that stabilization of the high-spin structures of complexes 4 (M = Mn, Fe, Co) is caused by the rigidity of the molecular framework of ligands 3 that sterically inhibits interconversions between the redox-isomeric forms of the complexes. The calculations performed on complex 4 (M = Co) predict that a suitable structural modification that might provide for stabilization of the low-spin electromeric forms and create conditions for the valence tautomeric rearrangement via stabilization of the low-spin electromer and narrowing energy gap between the low-spin ground state tautomer and the minimal energy crossing point on the intersection of the potential energy surfaces of the interconverting structures consists in the replacement of an oxygen in the oxazine ring by a bulkier sulfur atom. PMID:21718042

  14. Systematics in the nanoparticle band gap of ZnS and Zn1-xMxS (M=Mn, Fe, Ni) for various dopant concentrations

    NASA Astrophysics Data System (ADS)

    Behboudnia, M.; Sen, P.

    2001-01-01

    We report a detailed study of the formation of semiconductor nanoparticles of the important compound ZnS and its Mn-doped variant Zn(1-x)MnxS inside reverse micelle microreactors, by carefully varying the size of the reverse micelles at a fixed Mn concentration with x=0.01. Dynamic light scattering techniques allow us to characterize the microreactor sizes and correlate them with the size of the resultant nanoparticles. Band gap measurements employing UV-visible spectroscopy clearly show that Mn-doped samples have higher band gaps, largely independent of the size of the vessel they were created in. This observation reflects the role of Mn as an inhibitor to the growth of the nanoparticles. This is further strengthened by the observation of inhibition by other elements of the first row transition metals. Substitution with Fe and Ni shows similar trends in band gap (and hence particle size) variation with the reaction chamber size as well as with the dopant concentration x of these elements, while such variations on substitution with Mn are distinct, possibly because the sulfides of Zn and Mn are isostructural.

  15. First-principles study of the inversion thermodynamics and electronic structure of Fe M2X4 (thio)spinels (M =Cr , Mn, Co, Ni; X =O , S)

    NASA Astrophysics Data System (ADS)

    Santos-Carballal, David; Roldan, Alberto; Grau-Crespo, Ricardo; de Leeuw, Nora H.

    2015-05-01

    Fe M2X4 spinels, with the magnetite structure, where M is a transition metal and X is oxygen or sulfur, are candidate materials for spin filters, one of the key devices in spintronics. We present here a computational study of the inversion thermodynamics and the electronic structure of these (thio)spinels for M =Cr ,Mn ,Co ,Ni , using calculations based on the density functional theory with on-site Hubbard corrections (DFT +U ). The analysis of the configurational free energies shows that different behavior is expected for the equilibrium cation distributions in these structures: FeC r2X4 and FeM n2S4 are fully normal, FeN i2X4 and FeC o2S4 are intermediate, and FeC o2O4 and FeM n2O4 are fully inverted. We have analyzed the role played by the size of the ions and by the crystal field stabilization effects in determining the equilibrium inversion degree. We also discuss how the electronic and magnetic structure of these spinels is modified by the degree of inversion, assuming that this could be varied from the equilibrium value. We have obtained electronic densities of states for the completely normal and completely inverse cation distribution of each compound. FeC r2X4 ,FeM n2X4 ,FeC o2O4 , and FeN i2O4 are half-metals in the ferrimagnetic state when Fe is in tetrahedral positions. When M is filling the tetrahedral positions, the Cr-containing compounds and FeM n2O4 are half-metallic systems, while the Co and Ni spinels are insulators. The Co and Ni sulfide counterparts are metallic for any inversion degree together with the inverse FeM n2S4 . Our calculations suggest that the spin filtering properties of the Fe M2X4 (thio)spinels could be modified via the control of the cation distribution through variations in the synthesis conditions.

  16. Microstructures and Mechanical Performance of Plasma-Nitrided Al0.3CrFe1.5MnNi0.5 High-Entropy Alloys

    NASA Astrophysics Data System (ADS)

    Tang, Wei-Yeh; Chuang, Ming-Hao; Lin, Su-Jien; Yeh, Jien-Wei

    2012-07-01

    This study investigates the effect of plasma nitriding at 798 K (525 °C) on microstructures and the mechanical performance of Al0.3CrFe1.5MnNi0.5 high-entropy alloys (HEAs) obtained using different cast and wrought processing. All the alloys can be well nitride, with a thickness of around 80 μm, and attain a peak hardness level around Hv 1300 near the surface. The main nitride phases are CrN, AlN, and (Mn, Fe)4N. Those of the substrates are bcc, fcc, Al-, and Ni-rich B2 precipitates, and ρ phase. Their relative amounts depend on the prior processing and also change under the heat treatment during nitriding. The formation of ρ phase during nitriding could in-situ harden the substrate to attain the suitable level required for wear applications. This gives the advantage in simplifying the processing for making a wear-resistance component or a mold since austenitizing, quench hardening, and tempering required for steels such as SACM and SKD steels are no longer required and final finishing can be accomplished before nitriding. Nitrided Al0.3CrFe1.5MnNi0.5 samples have much better wear resistance than un-nitrided ones by 49 to 80 times and also exhibit superior adhesive wear resistance to conventional nitrided alloys: nitriding steel SACM-645 (AISI 7140), 316 stainless steel, and hot-mold steel SKD-61 (AISI H13) by 22 to 55 times depending on prior processing. The superiority is due to the fact that the present nitrided alloys possess a much thicker highly hardened layer than the conventional alloys.

  17. Influence of roll and solution treatment processing on shape memory effect of Fe-14Mn-5Si-9Cr-5Ni alloy

    SciTech Connect

    Li, C.L.; Jin, Z.H.

    1998-10-01

    The shape memory effect was studied in an Fe-14Mn-5Si-9Cr-5Ni alloy rerolled at 1123 K after hot rolling at 1423 K, followed by solution treatment at different temperatures. It was found that the alloy exhibits a maximum degree of shape recovery in a bending test and a complete recovery tensile strain of 2.2% in samples that were solution heated at 973 K for 600 s and then quenched in water. The rerolled processing at 1123 K after hot rolling at 1423 K and the microstructure under solution treatment state are important for obtaining a good shape memory effect in the alloy.

  18. A Novel Training-Free Processed Fe-Mn-Si-Cr-Ni Shape Memory Alloy Undergoing δ → γ Phase Transformation

    NASA Astrophysics Data System (ADS)

    Peng, Huabei; Wang, Gaixia; Du, Yangyang; Wang, Shanling; Chen, Jie; Wen, Yuhua

    2016-04-01

    We not only suppress the formation of twin boundaries but also introduce a high density of stacking faults by taking advantage of δ → γ phase transformation in a processed Fe-19.38Mn-5.29Si-8.98Cr-4.83Ni shape memory alloy. As a result, its shape memory effect is remarkably improved after heating at 1533 K (1260 °C) (single-phase region of δ ferrite) and air cooling due to δ → γ phase transformation.

  19. Density functional theory study of Mo-doped M@(BN)48 (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu) clusters

    NASA Astrophysics Data System (ADS)

    Liang, Wenjuan; Jia, Jianfeng; Lv, Jin; Wu, Haishun

    2016-03-01

    The structure and magnetic properties of Mo-doped M@(BN)48 (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu) clusters were calculated at BPW91/LanL2DZ level. The magnetic nature of the clusters M@(BN)48 significantly changed when doping with Mo atom, except for Co@(BN)48. Only the magnetic moment for the CrMo@(BN)48 cluster was decreased to zero. Thus, M@(BN)48 clusters can be selected as the model system to detect Mo atom by the change of the magnetic moment.

  20. A Novel Training-Free Processed Fe-Mn-Si-Cr-Ni Shape Memory Alloy Undergoing δ → γ Phase Transformation

    NASA Astrophysics Data System (ADS)

    Peng, Huabei; Wang, Gaixia; Du, Yangyang; Wang, Shanling; Chen, Jie; Wen, Yuhua

    2016-07-01

    We not only suppress the formation of twin boundaries but also introduce a high density of stacking faults by taking advantage of δ → γ phase transformation in a processed Fe-19.38Mn-5.29Si-8.98Cr-4.83Ni shape memory alloy. As a result, its shape memory effect is remarkably improved after heating at 1533 K (1260 °C) (single-phase region of δ ferrite) and air cooling due to δ → γ phase transformation.

  1. First-order magnetic and magnetostructural transitions in the magnetocaloric compound MnNi0.73Fe0.27Ge

    NASA Astrophysics Data System (ADS)

    Sun, Aili; Liu, Jinghua; Jiang, Chengbao; Liu, Enke; Wu, Guangheng

    2015-10-01

    Magnetic and magnetostructural transitions of MnNi0.73Fe0.27Ge have been studied by calorimetry and by magnetic measurements. The first-order MST from paramagnetic to ferromagnetic martensite shows a giant magnetic entropy change of -27 J/kg K for a magnetic-field change of 50 kOe around 233 K. A weak first-order magnetic transition is observed in the martensite phase over a large low-temperature range, with clear thermal hysteresis and increased saturation field. The origin is discussed on the basis of the competitiom between ferromagnetic and antiferromagnetic coupling with magneto-elastic coupling.

  2. The Mechanical and Corrosion Behaviors of As-cast and Re-melted AlCrCuFeMnNi Multi-Component High-Entropy Alloy

    NASA Astrophysics Data System (ADS)

    Soare, Vasile; Mitrica, Dumitru; Constantin, Ionut; Popescu, Gabriela; Csaki, Ioana; Tarcolea, Mihai; Carcea, Ioan

    2015-04-01

    A multi-component AlCrCuFeMnNi high-entropy alloy, prepared by vacuum induction melting, was investigated for structural, mechanical, and corrosion characteristics, before and after the re-melting process. Optical microscopy analysis revealed a dendritic solidification behavior. The interdendritic area contains two main phases and occasionally small hard phases. The re-melting process produced a finer dendritic structure, with rounded dendrites and reduced interdendritic hard phases. The SEM-EDAX analysis showed that the dendrite region contains a Widmanstatten type of structure and are composed of Cr-Fe rich phases, whereas the interdendrite region contains Cu and Mn rich phases. XRD analysis revealed two disordered BCC type A2 structures with high Cr and Fe content and an FCC A12 type of structure for the Cu and Mn rich interdendritic phase. The lattice constants, determined by X-ray diffraction, are 2.87 and 2.91 Å for the A2 phases and 3.67 Å for A1 phase. The Vickers micro hardness increased with the homogeneity of the alloy, having a maximum value of 4370 MPa for the re-melted sample. Corrosion tests carried out in 3.5 wt pct sodium chloride aerated solution indicated that the corrosion resistance improved with the re-melting process, being 1.5 to 2 times better than that of 304 stainless steel.

  3. Low hysteresis FeMn-based top spin valve.

    PubMed

    Ustinov, V V; Krinitsina, T P; Milyaev, M A; Naumova, L I; Proglyado, V V

    2012-09-01

    FeMn-based top spin valves Ta/[FeNi/CoFe]/Cu/CoFe/FeMn/Ta with different Cu and FeMn layers thicknesses were prepared by DC magnetron sputtering at room temperature. It was shown that low field hysteresis due to free layer magnetization reversal can be reduced down to (0.1 divided by 0.2) Oe keeping the GMR ratio higher 8% by using both layers thicknesses optimization and non-collinear geometry of magnetoresistance measurements. Dependence of low field hysteresis and GMR ratio on the angle between applied magnetic field and pinning direction are presented. PMID:23035516

  4. Electrochemistry and structure of the cobalt-free Li1+xMO2 (M = Li, Ni, Mn, Fe) composite cathode.

    PubMed

    Pang, Wei Kong; Kalluri, Sujith; Peterson, Vanessa K; Dou, Shi Xue; Guo, Zaiping

    2014-12-14

    The development of cathode materials with high capacity and cycle stability is essential to emerging electric-vehicle technologies, however, of serious environmental concern is that materials with these properties developed so far contain the toxic and expensive Co. We report here the Li-rich, Co-free Li1+xMO2 (M = Li, Ni, Mn, Fe) composite cathode material, prepared via a template-free, one-step wet-chemical method followed by conventional annealing in an oxygen atmosphere. The cathode has an unprecedented level of cation mixing, where the electrochemically-active component contains four elements at the transition-metal (3a) site and 20% Ni at the active Li site (3b). We find Ni(2+)/Ni(3+)/Ni(4+) to be the active redox-center of the cathode with lithiation/delithiation occurring via a solid-solution reaction where the lattice responds approximately linearly with cycling, differing to that observed for iso-structural commercial cathodes with a lower level of cation mixing. The composite cathode has ∼75% active material and delivers an initial discharge-capacity of ∼103 mA h g(-1) with a reasonable capacity retention of ∼84.4% after 100 cycles. Notably, the electrochemically-active component possesses a capacity of ∼139 mA h g(-1), approaching that of the commercialized LiCoO2 and Li(Ni1/3Mn1/3Co1/3)O2 materials. Importantly, our operando neutron powder-diffraction results suggest excellent structural stability of this active component, which exhibits ∼80% less change in its stacking-axis than for LiCoO2 with approximately the same capacity, a characteristic that may be exploited to enhance significantly the capacity retention of this and similar materials. PMID:25337805

  5. Ternary titanium transition metal bismuthides Ti{sub 4}TBi{sub 2} with T = Cr, Mn, Fe, Co, and Ni

    SciTech Connect

    Richter, C.G.; Jeitschko, W.; Kuennen, B.; Gerdes, M.H.

    1997-11-01

    The title compounds were prepared by reaction of the elemental components and with the exception of the isotypic chromium compound their tetragonal V{sub 4}SiSb{sub 2}-type crystal structures (I4/mcm, Z = 4) were determined and refined from single-crystal X-ray data. Ti{sub 4}CrBi{sub 2}: a = 1051.6(l), c = 506.7(1) pm; Ti{sub 4}Mn Bi{sub 2}: a = 1049.1 (1), c = 497.8 (1) pm, R = 0.031 for 176 structure factors; Ti{sub 4}FeBi{sub 2}: a = 1048.6(1), c = 493.3(1) pm, R = 0.013 (274 F values); Ti{sub 4}CoBi{sub 2}: a = 1050.6(2), c = 488.2(1) pm, R = 0.038 (472 F values); Ti{sub 4}NiBi{sub 2}: a = 1055.4(1), c = 481.4(1) pm, R = 0.020(373 F values), and 14 variable parameters each. The compounds are isotypic with V{sub 4}SiSb{sub 2}, a structure which is isopointal with U{sub 6}Mn and closely related to the structures of W{sub 5}Si{sub 3} and TlTe. All atoms have high coordination numbers. Unusual features of the structure are channels formed solely by the bismuth atoms and linear chains of the heavier transition metal ions with bond distances varying between 253.3 (Cr-Cr) and 240.7 pm (Ni-Ni). The electrical conductivities of Ti{sub 4}TBi{sub 2} (T= Fe,Co, Ni)--determined with a four-probe technique for sintered polycrystalline samples between 4 K and room temperature--indicate metallic behavior. The magnetic susceptibilities of the five compounds were determined with a SQUID magnetometer. Ti{sub 4}CrBi{sub 2}, T{sub i}4FeBi{sub 2}, and Ti{sub 4}NiBi{sub 2} are Pauli paramagnetic. The magnetic susceptibilities of Ti{sub 4}MnBi{sub 2} and Ti{sub 4}CoBi{sub 2} are strongly temperature dependent. The evaluation of these data according to a modified Curie-Weiss law suggests that both compounds contain one unpaired electron per formula unit. A brief discussion of chemical bonding in these compounds leads to the conclusion that considerable Ti-Ti bonding must be present in these bismuthides, in spite of the fact that the shortest Ti-Ti bonds are as long as 299 pm.

  6. Trends in activity for the water electrolyser reactions on 3d M(Ni,Co,Fe,Mn) hydr(oxy)oxide catalysts

    NASA Astrophysics Data System (ADS)

    Subbaraman, Ram; Tripkovic, Dusan; Chang, Kee-Chul; Strmcnik, Dusan; Paulikas, Arvydas P.; Hirunsit, Pussana; Chan, Maria; Greeley, Jeff; Stamenkovic, Vojislav; Markovic, Nenad M.

    2012-06-01

    Design and synthesis of materials for efficient electrochemical transformation of water to molecular hydrogen and of hydroxyl ions to oxygen in alkaline environments is of paramount importance in reducing energy losses in water-alkali electrolysers. Here, using 3d-M hydr(oxy)oxides, with distinct stoichiometries and morphologies in the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) regions, we establish the overall catalytic activities for these reaction as a function of a more fundamental property, a descriptor, OH-M2+δ bond strength (0 ≤ δ ≤ 1.5). This relationship exhibits trends in reactivity (Mn < Fe < Co < Ni), which is governed by the strength of the OH-M2+δ energetic (Ni < Co < Fe < Mn). These trends are found to be independent of the source of the OH, either the supporting electrolyte (for the OER) or the water dissociation product (for the HER). The successful identification of these electrocatalytic trends provides the foundation for rational design of ‘active sites’ for practical alkaline HER and OER electrocatalysts.

  7. Ternary Spinel MCo2O4 (M = Mn, Fe, Ni, and Zn) Porous Nanorods as Bifunctional Cathode Materials for Lithium-O2 Batteries.

    PubMed

    Mohamed, Saad Gomaa; Tsai, Yuan-Quei; Chen, Chih-Jung; Tsai, Yi-Ting; Hung, Tai-Feng; Chang, Wen-Sheng; Liu, Ru-Shi

    2015-06-10

    The development of Li-O2 battery electrocatalysts has been extensively explored recently. The Co3O4 oxide has attracted much attention because of its bifunctional activity and high abundance. In the present study, toxic Co(2+) has been replaced through the substitution on the tetrahedral spinel A site ions with environmental friendly metals (Mn(2+), Fe(2+), Ni(2+), and Zn(2+)), and porous nanorod structure are formed. Among these spinel MCo2O4 cathodes, the FeCo2O4 surface has the highest Co(3+) ratio. Thus, oxygen can be easily adsorbed onto the active sites. In addition, Fe(2+) in the tetrahedral site can easily release electrons to reduce oxygen and oxidize to half electron filled Fe(3+). The FeCo2O4 cathode exhibits the highest discharging plateau and lowest charging plateau as shown by the charge-discharge profile. Moreover, the porous FeCo2O4 nanorods can also facilitate achieving high capacity and good cycling performance, which are beneficial for O2 diffusion channels and Li2O2 formation/decomposition pathways. PMID:25984925

  8. Ageing behaviour of an Fe-20Ni-1.8Mn-1.6Ti-0.59Al (wt%) maraging alloy: clustering, precipitation and hardening

    SciTech Connect

    Pereloma, E.V. . E-mail: elena.pereloma@spme.monash.edu.au; Shekhter, A.; Miller, M.K.; Ringer, S.P.

    2004-11-08

    Changes in the solute distribution as well as the evolution of precipitation, microstructure and mechanical properties have been studied in an experimental maraging Fe-20Ni-1.8Mn-1.5Ti-0.59Al (wt%) alloy during ageing at 550 deg C. An initial hardening reaction within 5 s is reported, which is remarkable in terms of extent and rapidity. This strengthening was caused by the formation of complex multi-component atomic co-clusters containing primarily Ni-Ti-Al as well as some Mn. This cluster strengthened condition produced the optimum toughness observed throughout the ageing sequence. After 60 s ageing, the appearance of discrete precipitation of needle-shaped {eta}-Ni{sub 3}Ti particles was associated with a second rise in hardness towards an eventual peak at 600 s. This precipitation hardening was accompanied by an increase in tensile strength and a decrease in ductility. A reverse transformation of martensite to austenite occurs progressively during ageing and this contributes to the initial and secondary softening.

  9. Structural, EPR and optical properties of Zn0.75TM0.25O (TM = Mn, Fe, Co, Ni) aerogel nanoparticles

    NASA Astrophysics Data System (ADS)

    Sayari, Amor; El Mir, Lassaad; Jürgen von Bardeleben, Hans

    2014-07-01

    ZnO nanopowders with different 3d transition metal (TM) doping (TM = Mn, Fe, Co, Ni) were synthesized by a new protocol based on slow hydrolyse of zinc acetate dissolved in methanol and supercritical drying in ethyl alcohol. The prepared Zn1-xTMxO (x = 0.25) nanoparticles were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), differential scanning calorimetry (DSC), optical absorption and electron paramagnetic resonance spectroscopy (EPR). The results demonstrated that the TM dopant significantly affects the structural and magnetic properties of the samples. From the XRD spectra, the lattice parameters, average crystallite size and microstrain values were obtained. All ZnTMO nanoparticles show an expansion of the lattice parameters compared those of the bulk samples. Unit cell volume was minimized with Fe doping and increased as the atomic number of the dopant moved away from Fe. The XRD pattern indicates the formation of hexagonal wurtzite phase of ZnO for all the TM dopants. Electron microscopy characterization showed that the size of the Zn1-xTMxO particles is about 25 nm did not change significantly for the different dopants. Optical absorption measurements show that band gap energies of the TM-doped ZnO nanoparticles are around 3.2 eV. The Urbach energy of the ZnTMO nanopowders varies with the TM dopant. From magnetic measurements we observed the presence of room temperature ferromagnetic order in our TM-doped ZnO samples. EPR spectra confirm that TM ions were mainly incorporated as TM2+, occupying the Zn2+ sites in the wurtzite structure of ZnO. Room temperature ferromagnetic order was observed only in Ni- and Co-doped ZnO samples, whereas Mn- and Fe-doped powders showed only antiferromagnetic and paramagnetic interactions, respectively. The correlation between the structural and magnetic properties as a function of the TM dopant is discussed.

  10. A comparative study on electrochemical cycling stability of lithium rich layered cathode materials Li1.2Ni0.13M0.13Mn0.54O2 where M = Fe or Co

    NASA Astrophysics Data System (ADS)

    Laisa, C. P.; Nanda Kumar, A. K.; Selva Chandrasekaran, S.; Murugan, P.; Lakshminarasimhan, N.; Govindaraj, R.; Ramesha, K.

    2016-08-01

    In this work we compare electrochemical cycling stability of Fe containing Li rich phase Li1.2Ni0.13Fe0.13Mn0.54O2 (Fe-Li rich) with the well-known Co containing Li rich composition Li1.2Ni0.13Co0.13Mn0.54O2 (Co-Li rich). During the first charge, the activation plateau corresponding to removal of Li2O from the structure is smaller (removal of 0.6 Li) in the case of Fe-Li rich compared to Co-Li rich composition (0.8 Li removal). Consequently, the Fe compound shows better capacity retention; for example, after 100 cycles Fe-Li rich compound exhibits 20% capacity degradation where as it is about 40% in the case of Co-Li rich phase. The electrochemical and microscopy studies support the fact that compared to Co-Li rich compound, the Fe-Li rich composition display smaller voltage decay and reduced spinel conversion. XPS studies on charged/discharged Fe-Li rich samples show participation of Fe+3/Fe+4 redox during electrochemical cycling which is further supported by our first principles calculations. Also the temperature dependent magnetic studies on charge-discharged samples of Fe-Li rich compound point out that magnetic behavior is sensitive to cation oxidation states and Ni/Li disorder.

  11. Structural and electronic properties of half-Heusler alloys PtXBi (with X=Mn, Fe, Co and Ni) calculated from first principles

    NASA Astrophysics Data System (ADS)

    Huang, Wenchao; Wang, Xiaofang; Chen, Xiaoshuang; Lu, Wei; Damewood, L.; Fong, C. Y.

    2015-03-01

    First principles calculations with spin polarization based on density functional theory have been performed on half-Heusler alloys PtXBi, with X=Mn, Fe, Co and Ni, in three different atomic configurations (i.e. α, β, and γ phases). For each configuration, their optimized lattice constants are determined. Electronic and magnetic properties are also investigated. The differences reflect the atomic arrangements of the three phases and varied transition metal elements X. Meanwhile, the possibility of having the integer magnetic moment for each phase is explored. PtMnBi in α phase show half-metallic (HM) properties when its lattice constant is reduced from -3.0% to -11.2% with magnetic moment consistent with the values given by the modified Slater-Pauling rule. Additionally, we examined the effects of the spin-orbit (S-O) interaction on half-metal PtMnBi by comparing the relative shifts of the valence bands and the indirect semiconducting gap with respect to the spin polarized results.

  12. Composition Dependence of Phase Stability, Deformation Mechanisms, and Mechanical Properties of the CoCrFeMnNi High-Entropy Alloy System

    NASA Astrophysics Data System (ADS)

    Tasan, C. C.; Deng, Y.; Pradeep, K. G.; Yao, M. J.; Springer, H.; Raabe, D.

    2014-10-01

    The proposal of configurational entropy maximization to produce massive solid-solution (SS)-strengthened, single-phase high-entropy alloy (HEA) systems has gained much scientific interest. Although most of this interest focuses on the basic role of configurational entropy in SS formability, setting future research directions also requires the overall property benefits of massive SS strengthening to be carefully investigated. To this end, taking the most promising CoCrFeMnNi HEA system as the starting point, we investigate SS formability, deformation mechanisms, and the achievable mechanical property ranges of different compositions and microstructural states. A comparative assessment of the results with respect to room temperature behavior of binary Fe-Mn alloys reveals only limited benefits of massive SS formation. Nevertheless, the results also clarify that the compositional requirements in this alloy system to stabilize the face-centered cubic (fcc) SS are sufficiently relaxed to allow considering nonequiatomic compositions and exploring improved strength-ductility combinations at reduced alloying costs.

  13. Composition Dependence of Phase Stability, Deformation Mechanisms, and Mechanical Properties of the CoCrFeMnNi High-Entropy Alloy System

    NASA Astrophysics Data System (ADS)

    Tasan, C. C.; Deng, Y.; Pradeep, K. G.; Yao, M. J.; Springer, H.; Raabe, D.

    2014-09-01

    The proposal of configurational entropy maximization to produce massive solid-solution (SS)-strengthened, single-phase high-entropy alloy (HEA) systems has gained much scientific interest. Although most of this interest focuses on the basic role of configurational entropy in SS formability, setting future research directions also requires the overall property benefits of massive SS strengthening to be carefully investigated. To this end, taking the most promising CoCrFeMnNi HEA system as the starting point, we investigate SS formability, deformation mechanisms, and the achievable mechanical property ranges of different compositions and microstructural states. A comparative assessment of the results with respect to room temperature behavior of binary Fe-Mn alloys reveals only limited benefits of massive SS formation. Nevertheless, the results also clarify that the compositional requirements in this alloy system to stabilize the face-centered cubic (fcc) SS are sufficiently relaxed to allow considering nonequiatomic compositions and exploring improved strength-ductility combinations at reduced alloying costs.

  14. Anomalous positive exchange bias in nanostructured FeMn/Co/FeMn networks

    NASA Astrophysics Data System (ADS)

    Jiang, Changjun; Xue, Desheng; Fan, Xiaolong; Guo, Dangwei; Liu, Qingfang

    2007-08-01

    FeMn/Co/FeMn multilayers are sputtered onto porous alumina templates and silicon, respectively. The FeMn/Co/FeMn multilayer on the porous alumina templates forms an interconnected network nanostructure, while the FeMn/Co/FeMn multilayer on the silicon substrate forms a continuous film. The SQUID testing results show that the exchange bias (HE) and coercivity (Hc) of the FeMn/Co/FeMn multilayer on the porous alumina templates strongly depend on the temperature. A positive exchange bias loops shift is observed at 250 K under field-cooled conditions. However, this is not found in the FeMn/Co/FeMn multilayer on silicon for the same layer thickness. We attribute the positive exchange bias loops shift of the network nanostructured FeMn/Co/FeMn multilayer to the decreased exchange coupling due to the existence of the holes in the interconnected nanostructure.

  15. Influence of deformation on the structure and the mechanical properties of a high-entropy Fe25Cr20Ni20Co10Mn15Al10 alloy

    NASA Astrophysics Data System (ADS)

    Gorban', B. F.; Nazarenko, V. A.; Danilenko, N. I.; Karpets, M. V.; Krapivka, N. A.; Firstov, S. A.; Makarenko, E. S.

    2014-10-01

    The phase composition, the hardness, and the elasticity modulus of a high-entropy Fe25Cr20Ni20Co10Mn15Al10 alloy have been studied in the as-cast state, after rolling deformation, and after subsequent high-temperature annealing. The alloy consists of the following two phases: solid substitutional solutions with bcc and fcc crystal lattices; in the as-cast state and after annealing the bcc solid solution is ordered according to B2 type (CsCl). The mixture rule is applied for the calculation of the electron density, the atomic radius, and the melting point at grain boundaries and in the grain volume of the alloy after deformation and annealing. The obtained data demonstrate that the alloy is thermally stable.

  16. Thermodynamic laws of the oxygen solubility in liquid metals (Ni, Co, Fe, Mn, Cr) and the formation of oxygen-containing solutions in the alloys based on them

    NASA Astrophysics Data System (ADS)

    Paderin, S. N.; Shil'nikov, E. V.

    2015-12-01

    The solubility of oxygen in liquid Ni, Co, Fe, Mn, and Cr metals (Group IV in the periodic table) has been found for the first time. Linear dependences of the oxygen solubility on the standard Gibbs energy for the oxidation reaction of a liquid metal with gaseous oxygen are found. The revealed function of oxygen solubility is of scientific importance and allows one to develop a theory of oxygen solutions in liquid metals and liquid multicomponent metallic compositions and to calculate the energies of mixing of liquid metals with oxygen from Δ G MO ° for metal oxidation reactions with allowance for pseudoregular-solution model equations. Using the energies of mixing and metal compositions, we calculated the equilibrium oxygen concentrations in a metal molten pool at the end of oxidation stage of melting 08Kh18N10T steel in an arc furnace. This fact indicates practical importance of the found function of the oxygen solubility in metals.

  17. Substitution in ce2tsi3 intermetallic compositions with t = (Cr, Mn, Fe, Co, or Ni) x (Pd or Au) 1-x. Technical report No. 30

    SciTech Connect

    1996-07-10

    Alloys of composition Ce2(3d/T)Si3, with `3d` one of Cr, Mn, Fe, Co or Ni and `T` being Pd or Au, were separated and examined by powder x-ray diffraction. Select single phase compositions were further examined by magnetic susceptibility, by resistivity for the Pd and Co end-members and by specific heat for Ce2CoSi3. For compounds not containing cobalt, effective cerium moments consistent with trivalent cerium were observed. A re-examination of the AlB2 related structure of Ce2CoSi3 by single crystal methods revealed ordering of cobalt within the CoSi3 hexagonal layer. Magnetic susceptibility, resistance and specific heat measurements suggest valence fluctuation behavior of the cerium in Ce2CoSi3. A return to trivalent cerium magnetic behavior occurs on increasing palladium or gold substitution for cobalt.

  18. Microstructure and martensitic transformation in the Fe-Mn-Al-Ni shape memory alloy with B2-type coherent fine particles

    NASA Astrophysics Data System (ADS)

    Omori, T.; Nagasako, M.; Okano, M.; Endo, K.; Kainuma, R.

    2012-12-01

    Microstructure and martensitic transformation yielding a magnetic change were investigated for Fe43.5Mn34Al15Ni7.5 alloy with B2-type fine precipitates. Thermoelastic martensitic transformation from the ferromagnetic parent phase to the weak magnetic martensite with a nano-twinned fcc structure was confirmed. High-angle annular dark-field scanning transmission electron microscopic observation revealed that a β particle of about 10 nm maintains coherency with the matrix martensite phase, even though distorted due to the martensitic transformation. The martensitic transformation temperatures decreased about 75 K by application of a magnetic field of 70 kOe and magnetic field-induced reverse martensitic transformation was confirmed.

  19. Wide temperature window of magnetostructural transition achieved in Mn0.4Fe0.6NiSi1-xGax by a two-step isostructural alloying process

    NASA Astrophysics Data System (ADS)

    Chen, J.; Zhang, H. G.; Liu, E. K.; Yue, M.; Lu, Q. M.; Wang, W. H.; Wu, G. H.; Zhang, J. X.

    2016-05-01

    A new approach has been proposed in this work, which provides an effective way for tuning the structural transition in MM'X systems with relatively high transition temperature. With this method, a temperature window as wide as 275 K for the magnetostructural transition has been achieved in the MnNiSi alloy system. The maximum magnetic entropy change of the system is as high as 13.3 J/kgK, which, together with the large temperature window, enables the Mn0.4Fe0.6NiSi1-xGax system to be a promising candidate for magnetic refrigerant applications.

  20. Spectroscopic Study of (two-dimensional) Molecule-based Magnets: [MII(TCNE)(NCMe)2][SbF6] (M = Fe Mn Ni)

    SciTech Connect

    C Olson; C Heth; S Lapidus; P Stephens; G Halder; K Pokhodnya

    2011-12-31

    The M-[TCNE] (M = 3d metal; TCNE = tetracyanoethylene) system is one of the most interesting classes of molecule-based magnets, exhibiting a plethora of compositions and structures (inorganic polymer chains, 2D layers, 3D networks, and amorphous solids) with a wide range of magnetic ordering temperatures (up to 400 K). A systematic study of vibrational (both infrared and, for the first time, Raman) properties of the family of new TCNE-based magnets of M{sup II}(TCNE) (NCMe){sub 2}[SbF{sub 6}] [M = Mn, Fe, Ni] composition is discussed in conjunction with their magnetic behavior and newly resolved crystal structures. The vibrational properties of the isolated TCNE{sup {sm_bullet}-} anion in the paramagnetic Bu{sub 4}N [TCNE{sup {sm_bullet}-}] salt and recently characterized 2D layered magnet Fe{sup II}(TCNE)(NCMe){sub 2}[FeCl{sub 4}] are also reported for comparison. Additionally, a linear correlation between {nu}{sub c=c} (a{sub g}) frequency of the TCNE ligand and its formal charge Z (the spin density on the {pi}* orbital), Z = [1571 - {nu}{sub C=C} (ag)]/154.5 [e], is presented. It is shown that monitoring Z by Raman spectroscopy is of great use in providing information that allows understanding the peculiarity of the superexchange interaction in M-[TCNE] magnets and establishing the structure-magnetic properties correlations in this class of magnetic material.

  1. Improved cycling performance of 5 V spinel LiMn1.5Ni0.5O4 by amorphous FePO4 coating

    NASA Astrophysics Data System (ADS)

    Liu, Dilong; Bai, Ying; Zhao, Sen; Zhang, Weifeng

    2012-12-01

    Cycling stability of 5 V spinel LiMn1.5Ni0.5O4 (LMNO) is improved by surface modification with FePO4 through a chemical deposition method. The pristine, 0.5 wt.%, 1 wt.% and 3 wt.% FePO4-coated LMNO are characterized by X-ray diffraction, Fourier transform infrared spectroscopy, transmission electron microscopy and field emission scanning electron microscopy. It is found that the coating process is in favor of the disorder-order phase transition. The investigation on their cycling performance demonstrates that 1 wt.% FePO4-modified LMNO cathode exhibits the best cycling performance, with the capacity retention ratio of 99.3% after 50 cycles, much better than that of the pristine LMNO (only 79%). Electrochemical impedance spectroscopy is applied to explain the galvanostatic results. The enhanced cycling performance of the surface-modified samples can be attributed to the decreasing contact area between the electrode and electrolyte and the suppression of undesirable thick SEI (solid electrolyte interfacial) layer.

  2. The effects of annealing on the microstructure and mechanical properties of Fe28Ni18Mn33Al21

    SciTech Connect

    Meng, Fanling; Qiu, Jingwen; Baker, Ian; Bei, Hongbin

    2015-08-20

    In this paper, As-cast Fe28Ni18Mn33Al21, which consists of aligned, 50 nm, (Ni, Al)-rich B2, and (Fe, Mn)-rich f.c.c. phases, was annealed at a variety of temperatures up to 1423 K and the microstructure and mechanical properties were examined. It was shown that the as-cast microstructure arises from a eutectoid transformation at ~1300 K. Annealing at temperatures ≤1073 K produces β-Mn-structured precipitates and hardness values up to 816 HV, while annealing at temperatures >1073 K leads to dramatic coarsening of the two-phase B2/f.c.c. microstructure (up to 5.5 µm after 50 h at 1273 K), but does not lead to β-Mn precipitation. Interestingly, annealing at temperatures >1073 K delays the onset of β-Mn precipitation during subsequent anneals at lower temperatures. Coarsening the B2/f.c.c. lamellar structure by annealing at higher temperatures softens it and leads to increases in ductility from fracture before yield to ~8 % elongation. Finally, the presence of β-Mn precipitates makes the very fine, brittle B2/f.c.c. microstructures even more brittle, but significant ductility (8.4 % elongation) is possible even with β-Mn precipitates present if the B2/f.c.c. matrix is coarse and, hence, more ductile.

  3. Stability and mobility of small vacancy-solute complexes in Fe-MnNi and dilute Fe-X alloys: A kinetic Monte Carlo study

    NASA Astrophysics Data System (ADS)

    Messina, Luca; Malerba, Lorenzo; Olsson, Pär

    2015-06-01

    Manganese and nickel solute atoms in irradiated ferritic steels play a major role in the nanostructural evolution of reactor pressure vessels (RPV), as they are responsible for the formation of embrittling nanofeatures even in the absence of copper. The stability and mobility of small vacancy-solute clusters is here studied with an atomistic kinetic Monte Carlo approach based on ab initio calculations, in order to investigate the influence of Mn and Ni on the early life of small radiation-induced vacancy clusters, and to provide the necessary parameters for advanced object kinetic Monte Carlo simulations of the RPV long-term nanostructural evolution. Migration barriers are obtained by direct ab initio calculations or through a binding energy model based on ab initio data. Our results show a clear immobilizing and stabilizing effect on vacancy clusters as the solute content is increased, whereas the only evident difference between the two solute species is a somewhat longer elongation of the cluster mean free path in the presence of a few Mn atoms.

  4. Exchange bias properties of 140 nm-sized dipolarly interacting circular dots with ultrafine IrMn and NiFe layers

    NASA Astrophysics Data System (ADS)

    Spizzo, F.; Tamisari, M.; Chinni, F.; Bonfiglioli, E.; Gerardino, A.; Barucca, G.; Bisero, D.; Fin, S.; Del Bianco, L.

    2016-02-01

    We studied the exchange bias effect in an array of IrMn(3 nm)/NiFe(3 nm) circular dots (size ~140 nm and center-to-center distance ~200 nm, as revealed by microscopy analyses), prepared on a large area (3×3 mm2) by electron beam lithography and lift-off, using dc sputtering deposition. Hysteresis loops were measured by SQUID magnetometer at increasing values of temperature T (in the 5-300 K range) after cooling from 300 K down to 5 K in zero field (ZFC mode) and in a saturating magnetic field (FC mode). The exchange bias effect disappears above T~200 K and, at each temperature, the exchange field HEX measured in ZFC is substantially lower than the FC one. Micromagnetic calculations indicate that, at room temperature, each dot is in high-remanence ground state, but magnetic dipolar interactions establish a low-remanence configuration of the array as a whole. Hence, at low temperature, following the ZFC procedure, the exchange anisotropy in the dot array is averaged out, tending to zero. However, even the FC values of HEX and of the coercivity HC are definitely smaller compared to those measured in a reference continuous film with the same stack configuration (at T=5 K, HEX~90 Oe and HC~180 Oe in the dots and HEX~1270 Oe and HC~860 Oe in the film). Our explanation is based on the proven glassy magnetic nature of the ultrathin IrMn layer, implying the existence of magnetic correlations among the spins, culminating in a collective freezing below T~100 K. We propose, also by the light of micromagnetic simulations, that the small dot size imposes a spatial constraint on the magnetic correlation length among the IrMn spins so that, even at the lowest temperature, their thermal stability, especially at the dot border, is compromised.

  5. Advanced Na[Ni0.25Fe0.5Mn0.25]O2/C-Fe3O4 sodium-ion batteries using EMS electrolyte for energy storage.

    PubMed

    Oh, Seung-Min; Myung, Seung-Taek; Yoon, Chong Seung; Lu, Jun; Hassoun, Jusef; Scrosati, Bruno; Amine, Khalil; Sun, Yang-Kook

    2014-03-12

    While much research effort has been devoted to the development of advanced lithium-ion batteries for renewal energy storage applications, the sodium-ion battery is also of considerable interest because sodium is one of the most abundant elements in the Earth's crust. In this work, we report a sodium-ion battery based on a carbon-coated Fe3O4 anode, Na[Ni0.25Fe0.5Mn0.25]O2 layered cathode, and NaClO4 in fluoroethylene carbonate and ethyl methanesulfonate electrolyte. This unique battery system combines an intercalation cathode and a conversion anode, resulting in high capacity, high rate capability, thermal stability, and much improved cycle life. This performance suggests that our sodium-ion system is potentially promising power sources for promoting the substantial use of low-cost energy storage systems in the near future. PMID:24524729

  6. Thermal Stability of Ni-Mn Electrodeposits

    SciTech Connect

    Talin, A. A.; Marquis, E. A.; Goods, S. H.; Kelly, J. J.; Miller, Michael K

    2006-01-01

    The effect of Mn additions on the structural stability of electrodeposited Ni is investigated by comparing the microstructure evolution of Ni and Ni-Mn specimens with similar crystallographic initial textures. As deposited, Ni-Mn electrodeposits have a smaller crystallite size and substantially higher yield strength than Ni deposits, in agreement with the Hall-Petch relationship. Moreover, dilute Ni-Mn electrodeposits exhibit a thermal stability that significantly exceeds that of pure Ni. Indeed, Ni-Mn retains its texture, fine-grain microstructure, and strength above 500 C (for 1 h anneal), and does not recrystallize up to 800 C. In contrast, pure Ni with larger average grain size and similar preferred orientation shows abnormal grain growth at 300 C and recrystallization at 600 C. This study suggests two distinct temperature regimes. Below 600 C, grain boundary segregation appears as a plausible mechanism for the thermal stability of Ni-Mn electrodeposits, whereas grain boundary pinning by precipitation contributes to the improved microstructural stability of Ni-Mn above 600 C.

  7. Chemical bonding in the ternary transition metal bismuthides Ti{sub 4}TBi{sub 2} with T=Cr, Mn, Fe, Co, and Ni

    SciTech Connect

    Rytz, R.; Hoffman, R.

    1999-04-05

    The electronic structure and chemical bonding in the ternary transition metal bismuthides Ti{sub 4}TBi{sub 2} (T = Cr, Mn, Fe, Co, and Ni) is investigated by approximate MO calculations of the extended Hueckel tight-binding type. These intermetallic compounds crystallize in a layer structure, repeating sequence T-Ti/Bi-T-Ti/Bi, stacking along c; the late transition metals form linear chains with short T-T bonds. Other important structural elements are face-sharing chains of Ti{sub 4}Bi{sub 2} octahedra and Bi channels. The decrease of the T-T bond lengths from Cr to Ni is more pronounced than expected from the decrease of the metallic radii alone. The analysis of the electronic structure indicates that this behavior arises from the titanium-titanium and titanium-bismuth interlayer interactions. Diminution of the titanium-titanium interlayer distances as one goes from Ti{sub 4}CrBi{sub 2} to Ti{sub 4}NiBi{sub 2} is due to Ti(d)-Ti(d) bonding, which increases with increasing electron filling of the titanium d levels. The titanium-bismuth interactions remain strong along this series, as can also be seen by the constant intralayer/titanium-bismuth distances. A distinguishing feature of the title compounds is the channels formed by bismuth atoms. These channels are filled by Bi-centered, essentially unhybridized 6p orbitals forming a 2D net stacking along c and interacting with each other, stronger in the c direction than perpendicular to it. The possibility of intercalating electrophilic species into these electron-filled voids is also investigated.

  8. Organic-acid-assisted fabrication of low-cost Li-rich cathode material (Li[Li1/6Fe1/6Ni1/6Mn1/2]O2) for lithium-ion battery.

    PubMed

    Zhao, Taolin; Chen, Shi; Li, Li; Zhang, Xiaoxiao; Wu, Huiming; Wu, Tianpin; Sun, Cheng-Jun; Chen, Renjie; Wu, Feng; Lu, Jun; Amine, Khalil

    2014-12-24

    A novel Li-rich cathode Li[Li1/6Fe1/6Ni1/6Mn1/2]O2 (0.4Li2MnO3-0.6LiFe1/3Ni1/3Mn1/3O2) was synthesized by a sol-gel method, which uses citric acid (SC), tartaric acid (ST), or adipic acid (SA) as a chelating agent. The structural, morphological, and electrochemical properties of the prepared samples were characterized by various methods. X-ray diffraction showed that single-phase materials are formed mainly with typical α-NaFeO2 layered structure (R3̅m), and the SC sample has the lowest Li/Ni cation disorder. The morphological study indicated homogeneous primary particles in good distribution size (100 nm) with small aggregates. The Fe, Ni, and Mn valences were determined by X-ray absorption near-edge structure analysis. In coin cell tests, the initial reversible discharge capacity of an SA electrode was 289.7 mAh g(-1) at the 0.1C rate in the 1.5-4.8 V voltage range, while an SC electrode showed a better cycling stability with relatively high capacity retention. At the 2C rate, the SC electrode can deliver a discharge capacity of 150 mAh g(-1) after 50 cycles. Differential capacity vs voltage curves were employed to further investigate the electrochemical reactions and the structural change process during cycling. This low-cost, Fe-based compound prepared by the sol-gel method has the potential to be used as the high capacity cathode material for Li-ion batteries. PMID:25412470

  9. Organic-Acid-Assisted Fabrication of Low-Cost Li-Rich Cathode Material (Li[Li1/6Fe1/6Ni1/6Mn1/2]O-2) for Lithium-Ion Battery

    SciTech Connect

    Zhao, Taolin; Chen, Shi; Li, Li; Zhang, Xiaoxiao; Wu, Huiming; Wu, Tianpin; Sun, Cheng-Jun; Chen, Renjie; Wu, Feng; Lu, Jun; Amine, Khalil

    2014-12-24

    A novel Li-rich cathode Li[Li1/6Fe1/6Ni1/6Mn1/2]O-2 (0.4Li(2)MnO(3-)0.6LiFe(1/3)Ni(1/3)Mn(1/3)O(2)) was synthesized by a solgel method, which uses citric acid (SC), tartaric acid (ST), or adipic acid (SA) as a chelating agent. The structural, morphological, and electrochemical properties of the prepared samples were characterized by various methods. X-ray diffraction showed that single-phase materials are formed mainly with typical alpha-NaFeO2 layered structure (R3 m), and the SC sample has the lowest Li/Ni cation disorder. The morphological study indicated homogeneous primary particles in good distribution size (100 nm) with small aggregates. The Fe, Ni, and Mn valences were determined by X-ray absorption near-edge structure analysis. In coin cell tests, the initial reversible discharge capacity of an SA electrode was 289.7 mAh g(-1) at the 0.1C rate in the 1.54.8 V voltage range, while an SC electrode showed a better cycling stability with relatively high capacity retention. At the 2C rate, the SC electrode can deliver a discharge capacity of 150 mAh g(-1) after 50 cycles. Differential capacity vs voltage curves were employed to further investigate the electrochemical reactions and the structural change process during cycling. This low-cost, Fe-based compound prepared by the solgel method has the potential to be used as the high capacity cathode material for Liion batteries.

  10. Substitution of Ni for Fe in superconducting Fe>0.98mn>Te>0.5mn>Se>0.5mn> depresses the normal-state conductivity but not the magnetic spectral weight

    SciTech Connect

    Wang, Jinghui; Zhong, Ruidan; Li, Shichao; Gan, Yuan; Xu, Zhijun; Zhang, Cheng; Ozaki, T.; Matsuda, M.; Zhao, Yang; Li, Qiang; Xu, Guangyong; Gu, Genda; Tranquada, J. M.; Birgeneau, R. J.; Wen, Jinsheng

    2015-01-05

    We have performed systematic resistivity and inelastic neutron scattering measurements on Fe₀.₉₈₋zNizTe₀.₅Se₀.₅ samples to study the impact of Ni substitution on the transport properties and the low-energy (≤ 12 meV) magnetic excitations. It is found that, with increasing Ni doping, both the conductivity and superconductivity are gradually suppressed; in contrast, the low-energy magnetic spectral weight changes little. Comparing with the impact of Co and Cu substitution, we find that the effects on conductivity and superconductivity for the same degree of substitution grow systematically as the atomic number of the substituent deviates from that of Fe. The impact of the substituents as scattering centers appears to be greater than any contribution to carrier concentration. The fact that low-energy magnetic spectral weight is not reduced by increased electron scattering indicates that the existence of antiferromagnetic correlations does not depend on electronic states close to the Fermi energy.

  11. Imaging the surface morphology, chemistry and conductivity of LiNi 1/3 Fe 1/3 Mn 4/3 O 4 crystalline facets using scanning transmission X-ray microscopy

    DOE PAGESBeta

    Zhou, Jigang; Wang, Jian; Cutler, Jeffrey; Hu, Enyuan; Yang, Xiao-Qing

    2016-07-26

    We have employed scanning transmission X-ray microscopy (STXM) using the X-ray fluorescence mode in order to elucidate the chemical structures at Ni, Fe, Mn and O sites from the (111) and (100) facets of micron-sized LiNi1/3Fe1/3Mn4/3O4 energy material particles. Furthermore, STXM imaging using electron yield mode has mapped out the surface conductivity of the crystalline particles. Our study presents a novel approach that visualizes local element segregation, chemistry and conductivity variation among different crystal facets, which will assist further tailoring of the morphology and surface structure of this high voltage spinel lithium ion battery cathode material.

  12. Imaging the surface morphology, chemistry and conductivity of LiNi1/3Fe1/3Mn4/3O4 crystalline facets using scanning transmission X-ray microscopy.

    PubMed

    Zhou, Jigang; Wang, Jian; Cutler, Jeffrey; Hu, Enyuan; Yang, Xiao-Qing

    2016-08-17

    Scanning transmission X-ray microscopy (STXM) using the X-ray fluorescence mode has been employed to elucidate the chemical structures at Ni, Fe, Mn and O sites from the (111) and (100) facets of micron-sized LiNi1/3Fe1/3Mn4/3O4 energy material particles. Furthermore, STXM imaging using electron yield mode has mapped out the surface conductivity of the crystalline particles. This study presents a novel approach that visualizes local element segregation, chemistry and conductivity variation among different crystal facets, which will assist further tailoring of the morphology and surface structure of this high voltage spinel lithium ion battery cathode material. PMID:27491629

  13. Phase relationships in the quaternary systems MS-Cr/sub 2/S/sub 3/-In/sub 2/S/sub 3/ (M=Mn,Fe,Co,Ni), miscibility gaps in spinel solid solutons

    SciTech Connect

    Lutz, H.D.; Jung, M.; Wussow, K.

    1986-02-01

    The phase diagrams of the quanternary systems MS-Cr/sub 2/S/sub 3/-In/sub 2/S/sub 3/ wth M=MN,Fe,Ni were studied by x-ray powder photographs of quenched samples. In the quasibinary sections MnIn/sub 2/S/sub 4/-MnCr/sub 2/S/sub 4/ and FeIn/sub 2/S/sub 4/-FeCr/sub 2/S/sub 4/, immiscibility domes exist below 800 and 850/sup 0/C, respectively. At higher temperatures complete series of spinel type solid solutions are formed, which can be quenched to ambient temperature without decomposition. In the NiIn/sub 2/S/sub 4/-NiCr/sub 2/S/sub 4/ section, spinel-type solid solutions are formed in the range from NiIn/sub 2/S/sub 4/ to NiCr/sub 1.7/In/sub 0.3/S/sub 4/ (800/sup 0/C). At lower temperatures decomposition to chromium and indium rich spinel solid solutions occurs. The phase width of Cr/sub 3/S/sub 4/ type NiCr/sub 2/S/sub 4/ is very small. The system NiCr/sub 2/S/sub 4/-In/sub 2/S/sub 3/ is similar to the NiCr/sub 2/S/sub 4/-NiIn/sub 2/S/sub 4/ system, but probably no quasibinary. The fir spectra of the NiCr/sub 2-2X/In/sub 2X/S/sub 4/ (and NiCr/sub 2-2X/Ga/sub 2X/S/sub 4/) solid solutions reveal that the hypothetical spinel NiCr/sub 2/S/sub 4/ is probably metallic. In the sections CoS-In/sub 2/S/sub 3/ and NiS-In/sub 2/S/sub 3/, spinel type solid solutions are formed in the range from In/sub 2/S/sub 3/ to MIN/sub 2/S/sub 4/. The unusually small reaction rates of the solid state equilibration reaction are discussed in terms of the Gibb's enthalpies of forming the spinel mixed crystals and the kinetic retardation of such reactions.

  14. Increasing the ordering temperatures in oxalate-based 3D chiral magnets: the series [Ir(ppy)2(bpy)][M(II)M(III)(ox)3] x 0.5 H2O (M(II)M(III) = MnCr, FeCr, CoCr, NiCr, ZnCr, MnFe, FeFe); bpy = 2,2'-bipyridine; ppy = 2-phenylpyridine; ox = oxalate dianion).

    PubMed

    Clemente-León, Miguel; Coronado, Eugenio; Gómez-García, Carlos J; Soriano-Portillo, Alejandra

    2006-07-10

    The synthesis, structure, and physical properties of a novel series of oxalate-based bimetallic magnets obtained by using the Ir(ppy)2(bpy)]+ cation as a template of the bimetallic [M(II)M(III)(ox)3]- network are reported. The compounds can be formulated as [Ir(ppy)2(bpy)][M(II)Cr(III)(ox)3] x 0.5 H2O (M(II) = Ni, Mn, Co, Fe, and Zn) and [Ir(ppy)2(bpy)]-[M(II)Fe(III)(ox)3] x 0.5 H2O (M(II) = Fe, Mn) and crystallize in the chiral cubic space group P4(1)32 or P4(3)32. They show the well-known 3D chiral structure formed by M(II) and M(III) ions connected through oxalate anions with [Ir(ppy)2(bpy)]+ cations and water molecules in the holes left by the oxalate network. The M(II)Cr(III) compounds behave as soft ferromagnets with ordering temperatures up to 13 K, while the Mn(II)Fe(III) and Fe(II)Fe(III) compounds behave as a weak ferromagnet and a ferrimagnet, respectively, with ordering temperatures of 31 and 28 K. These values represent the highest ordering temperatures so far reported in the family of 3D chiral magnets based on bimetallic oxalate complexes. PMID:16813431

  15. Substitution effect on magnetic and electrical properties of half-Heusler alloy Ni{sub 1−x}Co{sub x}Mn{sub 1−y}Fe{sub y}Sb

    SciTech Connect

    Kushwaha, Varun Sharma, Himanshu Dixit, Dinesh Tomy, C. V.; Tulapurkar, Ashwin

    2014-04-24

    We have studied the effects of Co and Fe doping on the magnetic and electrical properties of half-Heusler compound NiMnSb. The alloys were prepared by arc-melting method in the presence of Argon gas. The powder X-ray diffraction of the each alloy was performed in air at room temperature. The magnetic and electrical properties were performed in the temperature range 2–400 K and in magnetic field up to 1 T.

  16. Studies on some salicylaldehyde Schiff base derivatives and their complexes with Cr(III), Mn(II), Fe(III), Ni(II) and Cu(II).

    PubMed

    Abdel-Latif, S A; Hassib, H B; Issa, Y M

    2007-07-01

    The formation constants of some transition metal ions Cr(III), Mn(II), Fe(III), Ni(II) and Cu(II) binary complexes containing Schiff bases resulting from condensation of salicylaldehyde with aniline (I), 2-aminopyridine (II), 4-aminopyridine (III) and 2-aminopyrimidine (IV) were determined pH-metrically in ethanolic medium (80%, v/v). The formation constants were determined for all binary complexes. The important infrared (IR) spectral bands corresponding to the active groups in the four ligands and the solid complexes under investigation were studied. The solid complexes have been synthesized and studied by thermogravimetric analysis. The thermal dehydration and decomposition of these complexes were studied kinetically using the integral method applying the Coats-Redfern equation. It was found that the thermal decomposition of the complexes follow second order kinetics. The thermodynamic parameters of the decomposition are also reported. The electronic absorption spectra of the investigated ligands were carried out to determine the pK(a) values spectrophotometrically. PMID:17084104

  17. Studies on some salicylaldehyde Schiff base derivatives and their complexes with Cr(III), Mn(II), Fe(III), Ni(II) and Cu(II)

    NASA Astrophysics Data System (ADS)

    Abdel-Latif, S. A.; Hassib, H. B.; Issa, Y. M.

    2007-07-01

    The formation constants of some transition metal ions Cr(III), Mn(II), Fe(III), Ni(II) and Cu(II) binary complexes containing Schiff bases resulting from condensation of salicylaldehyde with aniline (I), 2-aminopyridine (II), 4-aminopyridine (III) and 2-aminopyrimidine (IV) were determined pH-metrically in ethanolic medium (80%, v/v). The formation constants were determined for all binary complexes. The important infrared (IR) spectral bands corresponding to the active groups in the four ligands and the solid complexes under investigation were studied. The solid complexes have been synthesized and studied by thermogravimetric analysis. The thermal dehydration and decomposition of these complexes were studied kinetically using the integral method applying the Coats-Redfern equation. It was found that the thermal decomposition of the complexes follow second order kinetics. The thermodynamic parameters of the decomposition are also reported. The electronic absorption spectra of the investigated ligands were carried out to determine the p Ka values spectrophotometrically.

  18. Dimensionally modulated, single-crystalline LiMPO4 (M= Mn, Fe, Co, and Ni) with nano-thumblike shapes for high-power energy storage.

    PubMed

    Vadivel Murugan, A; Muraliganth, T; Ferreira, P J; Manthiram, A

    2009-02-01

    We demonstrate an efficient and rapid microwave irradiated solvothermal method to prepare nanostructured lithium metal phosphates LiMPO(4) (M = Mn, Fe, Co, and Ni) within a short reaction time (5-15 min) at temperatures as low as 300 degrees C without requiring any post annealing at elevated temperatures. The highly viscous, high-boiling tetraethyleneglycol used as the solvent not only provides a reducing atmosphere to prevent the oxidation of M(2+) to M(3+) but also inhibits the agglomeration of the nanoparticles formed. The enhanced reaction rates facilitated by the dielectric volumetric heating of the microwave absorbing reactants led to the formation of highly crystalline, phase-pure LiMPO(4) powders. The samples are characterized by X-ray diffraction, Raman spectroscopy, transmission electron microscopy (TEM), and electrochemical measurements in lithium cells. High-resolution TEM studies reveal the formation of single-crystalline LiMPO(4) with nano-thumblike shapes. The dimensionally modulated nano-thumblike shapes with the lithium diffusion direction (b axis) along the shorter dimension are particularly beneficial to achieve high-power capability in lithium ion cells. Subsequent networking of the single-crystalline LiMPO(4) nano-thumps with multiwalled carbon nanotubes by a simple solution-based mixing at ambient temperatures to overcome the electronic conductivity limitations offers excellent electrochemical performance in lithium ion cells. PMID:19125669

  19. Nonequilibrium grain-boundary segregation and ductile-brittle-ductile transition in Fe-Mn-Ni-Ti age-hardening alloy

    SciTech Connect

    Heo, N.H.

    1996-10-01

    Nonequilibrium segregation kinetics of alloying elements and a ductile-brittle-ductile transition behavior have been investigated in an Fe-8.4Mn-7.4Ni-1.7Ti alloy. The alloy experienced a ductile-brittle-ductile (DBD) transition during isothermal aging. In the brittle region, the alloy showed a decrease in intergranular fracture strength and a subsequent increase with aging time. This is due to the segregation of titanium to the grain boundaries and its desegregation into the matrix. The intergranular fracture strength was higher on the zero tensile elongation finish curve than on the start curve. This is because the grain-boundary segregation level of titanium is relatively lower on the finish curve. The lowest intergranular fracture strength increased with increasing aging temperature, which was attributed to a lower grain-boundary segregation level of titanium at higher temperature. Manganese caused an overall reduction in intergranular fracture strength and, as a result, the delayed occurrence of the zero tensile elongation (ZTE) finish curve in a temperature and long-time plot.

  20. Density functional theory based comparative study of electronic structures and magnetic properties of spinel ACr2O4 (A  =  Mn, Fe, Co, Ni) compounds

    NASA Astrophysics Data System (ADS)

    Das, Debashish; Ghosh, Subhradip

    2015-10-01

    Using the DFT+U method and generalized gradient approximation (GGA) we perform the first systematic study of the chromite series ACr2O4 (A  =  Mn, Fe, Co, Ni) by computing their structural and magnetic properties. The results are analyzed by their electronic structures. We find that in spite of varying structural distortions, the electronic structures are very similar across the series. Such similarities are responsible for qualitative uniformities in their magnetic phases at low temperatures, as observed in the experiments. We find that the strong electron-electron correlation, along with competing magnetic exchange splitting and the crystal field splitting, are responsible for their electronic properties such as the electronic band gaps. Our results regarding the magnetic exchange parameters are in good agreement with the available results and show the relative importance of the pairwise exchange interactions in each of the compounds. The ground state magnetic spin structures and the ferrimagnetic transition temperatures obtained from these exchange parameters, in combination with a phenomenological theory, qualitatively agree with the experiments and other theoretical results.

  1. Brillouin Light Scattering study of the rotatable magnetic anisotropy in exchange biased bilayers of Ni81 Fe19 Ir20 Mn80

    NASA Astrophysics Data System (ADS)

    Rodríguez, Roberto; Oliveira, Alexandre; Estrada, Francisco; Santos, Obed; Azevedo, Antonio; Rezende, Sergio

    It is known that when a ferromagnet (FM) is in atomic contact with an antiferromagnet (AF) the exchange coupling between the FM and AF spins at the interface induces a unidirectional anisotropy in the ferromagnetic film. This effect is known as exchange bias (EB). Despite the large amount of research on this topic there are still several aspects of the EB mechanism that are not well understood. One of this aspects is the origin of the rotatable anisotropy in polycrystalline AFs. By means of Brillouin Light Scattering (BLS) measurements, we investigated the dependence of the rotatable anisotropy field HRA and exchange field HE with the magnitude of the external magnetic field (Ho) in FM/AM bilayers of Ni81Fe19(10nm)/Ir20Mn80(tAF) . We developed an algorithm to numerically fit the in-plane angular dependence of the magnon frequency, at a fixed value of Ho measured by BLS. From the fit parameters we were able to investigate HRA and HE dependency on Ho. The results reveal that HRA value depends on Ho, so we argue that AF grain distribution at the interface is partially modified by the applied field strength. Contrary to this, the relation between HE and Ho is not straightforward, remaining constant at high values of Ho.

  2. DFT +DMFT calculation of band gaps for the transition metal monoxides NiO, CoO, FeO and MnO

    NASA Astrophysics Data System (ADS)

    Zhang, Long; Staar, Peter; Kozhevnikov, Anton; Schulthess, Thomas; Cheng, Hai-Ping

    We report calculated spectral functions of the four late transition metal monoxides MnO, FeO, CoO and NiO in the paramagnetic phase. We used density functional theory (DFT) in combination with dynamic mean field theory (DMFT), which gives much better description of band gaps. Both projected Wannier orbitals and the on-site screened Coulomb interactions are obtained from DFT ground states to ensure consistency. Because of the p-d hybridization in these materials, we calculated Coulomb interactions for the dp model as well as the d-dp model using the cRPA method. With the standard fully localized limit double counting correction, we found that the d-dp model gives results in better agreement with experiments. This work was supported by the US Department of Energy (DOE), Office of Basic Energy Sciences (BES), under Contract No. DE-FG02-02ER45995. Supported by the US Department of Energy (DOE), Office of Basic Energy Sciences (BES), under Contract No. DE-FG02-02ER45995.

  3. DC-Bias-Superposition Characteristics of Ni0.4Zn0.2Mn0.4Fe2O4 Nanopowders Synthesized by Auto-Combustion.

    PubMed

    Sadhana, K; Sandhya, R; Praveena, K

    2015-06-01

    Ni0.4Zn0.2Mn0.4Fe2O4 nanopowders were prepared by auto-combustion method. The as-synthesized powders were characterized using X-ray diffraction (XRD) and thermo-gravimetric-differential thermal analysis (TG-DTA), and the powders were densified at different temperatures 400 degrees C, 500 degrees C, 600 degrees C and 700 degrees C/4 hrs using conventional sintering method. The sintered samples were characterized by XRD and transmission electron microscope (TEM). The bulk densities of the samples were increased with an increase of sintering temperature. The grain sizes of all the samples vary in between 18 nm to 30 nm. The hysteresis loops show high saturation magnetization and low coercivity, indicates that it is a soft material. The incremental permeability (permeability with magnetic field superposition) was influenced by both ΔM and H(c). A sample with higher initial permeability and favoured the attainment of a higher incremental permeability. The Q-factor was mainly determined by the sintered density and microstructure. To summarize, a uniform and dense microstructure with relatively small average grain size is favourable for obtaining better dc-bias-superposition characteristics, including permeability and Q-factor. PMID:26369079

  4. Electron capture of strongly screening nuclides 56Fe, 56Co, 56Ni, 56Mn,56Cr and 56V in pre-supernovae

    NASA Astrophysics Data System (ADS)

    Liu, Jing-Jing

    2013-08-01

    According to the shell-model Monte Carlo method, based on the random-phase approximation and linear response theory, we carried out an estimation of electron capture (EC) of the strongly screening nuclides 56Fe, 56Co, 56Ni, 56Mn,56Cr and 56V during strong electron screening (SES) in pre-supernovae. The EC rates are decreased greatly and may even exceed 21.5 per cent in the case of SES. We also compare our results with those calculated by the method of Aufderheide in the case of SES. Our results agree reasonably well with those of Aufderheide in higher density and temperature surroundings (e.g. ρ7 > 60, T9 = 15.40) and the maximum error is ˜0.5 per cent. However, the maximum error is ˜13.0 per cent in lower density surroundings (e.g. 56Cr at ρ7 = 10, T9 = 15.40, Ye = 0.41). We also compared our results for SES with those of Fuller, Fowler & Newman and Nabi, which apply to a case without SES. The comparisons show that our results are lower than those of Fuller, Fowler & Newman by more than one order of magnitude and about 7.23 per cent lower than those of Nabi.

  5. In quest of cathode materials for Ca ion batteries: the CaMO3 perovskites (M = Mo, Cr, Mn, Fe, Co, and Ni).

    PubMed

    Arroyo-de Dompablo, M E; Krich, C; Nava-Avendaño, J; Palacín, M R; Bardé, F

    2016-07-20

    Basic electrochemical characteristics of CaMO3 perovskites (M = Mo, Cr, Mn, Fe, Co, and Ni) as cathode materials for Ca ion batteries are investigated using first principles calculations at the Density Functional Theory level (DFT). Calculations have been performed within the Generalized Gradient Approximation (GGA) and GGA+U methodologies, and considering cubic and orthorhombic perovskite structures for CaxMO3 (x = 0, 0.25, 0.5, 0.75 and 1). The analysis of the calculated voltage-composition profile and volume variations identifies CaMoO3 as the most promising perovskite compound. It combines good electronic conductivity, moderate crystal structure modifications, and activity in the 2-3 V region with several intermediate CaxMoO3 phases. However, we found too large barriers for Ca diffusion (around 2 eV) which are inherent to the perovskite structure. The CaMoO3 perovskite was synthesized, characterized and electrochemically tested, and results confirmed the predicted trends. PMID:27398629

  6. Microstructural evolution under high flux irradiation of dilute Fe CuNiMnSi alloys studied by an atomic kinetic Monte Carlo model accounting for both vacancies and self interstitials

    NASA Astrophysics Data System (ADS)

    Vincent, E.; Becquart, C. S.; Domain, C.

    2008-12-01

    Under neutron irradiation, a large amount of point defects (vacancies and interstitials) are created. In the irradiated pressure vessel steels, weakly alloyed, these point defects are responsible for the diffusion of the solute atoms, leading to the formation of solute rich precipitates within the matrix. Ab initio calculations based on the density functional theory have been performed to determine the interactions of point defects with solute atoms in dilute FeX alloys (X = Cu, Mn, Ni or Si). For Mn, the results of these calculations lead to think that solute transport in α-Fe can very likely take place through an interstitial mechanism as well as via vacancies while the other solutes (Cu, Ni and Si) which establish strong bonds with vacancies diffuse more likely via vacancies only. The database thus created has been used to parameterize an atomic kinetic Monte Carlo model taking into account both vacancies and interstitials. Some results of irradiation damage in dilute Fe-CuNiMnSi alloys obtained with this model will be presented.

  7. Electron-impact excitation of H-like Cr, Mn, Fe, Co, and Ni for applications in modeling X-ray astrophysical sources

    NASA Astrophysics Data System (ADS)

    Malespin, C.; Ballance, C. P.; Pindzola, M. S.; Witthoeft, M. C.; Kallman, T. R.; Loch, S. D.

    2011-02-01

    Context. Accurate atomic data for the less abundance Fe-peak elements are required for use in X-ray astrophysical studies. Aims: We calculate high quality electron-impact excitation collision strengths and effective collision strengths for hydrogenic Cr, Mn, Fe, Co, and Ni. Methods: We use the Dirac R-matrix method, the intermediate coupling frame transformation R-matrix method, the semi-relativistic distorted-wave method and the fully-relativistic distorted-wave method to calculate collision strengths for each of the ions. The ADAS collisional-radiative codes are used to produce photon emissivity coefficients for each ion. Results: Results are presented for atomic energy levels, spontaneous emission coefficients, electron-impact excitation collision strengths and associated effective collision strengths for each of the five species under consideration. We find relativistic effects can contribute an approximate 10% increase to the background cross section in relation to semi-relativistic collision calculations. We also confirm that radiation damping plays a prominent role for certain near threshold resonances. In order check the integration of our results within collisional-radiative modeling codes, we have used the ADAS package for some preliminary modeling of photon emissivities. The atomic data shall be made available online through the OPEN-ADAS site and the CFADC database Final datasets for each ion are only available in electronic form at CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/526/A115

  8. Multiferroic tunnel junction of Ni50.3Mn36.9Sb12.8/BiFeO3/Ni50.3Mn36.9Sb12.8 for magneto-electric random access memory devices

    NASA Astrophysics Data System (ADS)

    Barman, Rahul; Kaur, Davinder

    2016-02-01

    A multiferroic tunnel junction composed of two ferromagnetic shape memory alloy electrodes separated by a multiferroic barrier was fabricated from a Ni50.3Mn36.9Sb12.8/BiFeO3/Ni50.3Mn36.9Sb12.8 trilayer. A large exchange bias field (HEB) of ˜59 Oe at room temperature was found for this trilayer. Besides the exchange bias effect in this multiferroic tunnel junction, one of the most interesting results was the magnetoelectric effect, which is manifested by the transfer of strain from the Ni50.3Mn36.9Sb12.8 electrodes to the BiFeO3 tunnel barrier. The magnetic field dependence of the junction resistance was observed at room temperature after aligning the ferroelectric polarization of the BiFeO3 barrier with the poling voltage of ±3 V. A change in junction resistance was also observed between the magnetic parallel and antiparallel states of the electrodes, suggesting an entire flip of the magnetic domains against the magnetic field. After reversing the polarization of the BiFeO3 barrier between the two directions, the entire R-H curve was shifted so that both parallel and antiparallel resistances switched to different values. Hence, after applying positive and negative voltages, two parallel and two antiparallel states, i.e., four distinct states were observed. These four states will encode quaternary information by both ferromagnetic and ferroelectric order-parameters, to read non-destructively by resistance measurement. These findings may be helpful towards reconfigurable logic spintronics architectures in next generation magneto-electric random access memory devices.

  9. Fieldlike spin-orbit torque in ultrathin polycrystalline FeMn films

    NASA Astrophysics Data System (ADS)

    Yang, Yumeng; Xu, Yanjun; Zhang, Xiaoshan; Wang, Ying; Zhang, Shufeng; Li, Run-Wei; Mirshekarloo, Meysam Sharifzadeh; Yao, Kui; Wu, Yihong

    2016-03-01

    Fieldlike spin-orbit torque in FeMn/Pt bilayers with ultrathin polycrystalline FeMn has been characterized through planar Hall effect measurements. A large effective field of 2.05 ×10-5 to 2.44 ×10-5Oe (A-1cm2) is obtained for FeMn in the thickness range of 2-5 nm. The experimental observations can be reasonably accounted for by using a macrospin model under the assumption that the FeMn layer is composed of two spin sublattices with unequal magnetizations. The large effective field corroborates the spin Hall origin of the effective field, considering the much smaller uncompensated net moments in FeMn as compared to NiFe. The effective absorption of spin current by FeMn is further confirmed by the fact that spin current generated by Pt in NiFe/FeMn/Pt trilayers can only travel through the FeMn layer with a thickness of 1-4 nm. By quantifying the fieldlike effective field induced in NiFe, a spin diffusion length of 2 nm is estimated in FeMn, consistent with values reported in the literature by ferromagnetic resonance and spin-pumping experiments.

  10. Theoretical insights into the origin of magnetic exchange and magnetic anisotropy in {Re(IV)-M(II)} (M = Mn, Fe, Co, Ni and Cu) single chain magnets.

    PubMed

    Singh, Saurabh Kumar; Vignesh, Kuduva R; Archana, Velloth; Rajaraman, Gopalan

    2016-05-10

    Density functional calculations have been performed on a series of {Re(IV)-M(II)} (M = Mn(), Fe(), Co(), Ni(), Cu()) complexes to compute the magnetic exchange interaction between the Re(IV) and M(II) ions, and understand the mechanism of magnetic coupling in this series. DFT calculations yield J values of -5.54 cm(-1), +0.44 cm(-1), +10.5 cm(-1), +4.54 cm(-1) and +19 cm(-1) for complexes respectively, and these estimates are in general agreement with the experimental reports. Using molecular orbital (MO) and overlap integral analysis, we have established a mechanism of coupling for a {3d-5d} pair and the proposed mechanism rationalises both the sign and the magnitude of J values observed in this series. Our proposed mechanism of coupling has five contributing factors: (i) (Re)dyz-dyz(3d) overlap, (ii) (Re)dxz-dxz(3d) overlap, (iii) (Re)dxy-dxy(3d) overlap, (iv) (Re)eg-t2g(3d) overlaps and (v) (Re)eg-eg(3d) overlaps. Here, the first two terms are found to contribute to the antiferromagnetic part of the exchange, while the other three contribute to the ferromagnetic part. The last two terms correspond to the cross-interactions and also contribute to the ferromagnetic part of the exchange. A record high ferromagnetic J value observed for the {Re(IV)-Cu(II)} pair in complex is found to be due to a significant cross interaction between the dz(2) orbital of the Re(IV) ion and the dx(2)-y(2) orbital of the Cu(ii) ion. Magneto-structural correlations are developed for Re-C and M-N bond lengths and Re-C-N and M-N-C bond angles. Among the developed correlations, the M-N-C bond angle is found to be the most sensitive parameter which influences the sign and strength of J values in this series. The J values are found to be more positive (or less negative) as the angle increases, indicating stronger ferromagnetic coupling at linear M-N-C angles. Apart from the magnetic exchange interaction, we have also estimated the magnetic anisotropy of [ReCl4(CN)2](2-) and [(DMF)4(CN

  11. Electronic structure and magnetic properties of LiMn{sub 1.5}M{sub 0.5}O{sub 4} (M=Al, Mg, Ni, Fe) and LiMn{sub 2}O{sub 4}/TiO{sub 2} nanocrystalline electrode materials

    SciTech Connect

    Talik, E.; Lipińska, L.; Zajdel, P.; Załóg, A.; Michalska, M.; Guzik, A.

    2013-10-15

    The process of sol–gel synthesis was applied to obtain LiMn{sub 1.5}M{sub 0.5}O{sub 4} (M=Al, Mg, Ni, Fe) and LiMn{sub 2}O{sub 4}/TiO{sub 2} nanopowders. The samples were characterized by following methods: X-ray diffraction (XRD), scanning electron microscopy (SEM/EDX), X-ray photoelectron spectroscopy (XPS) and SQUID magnetometry. XPS was used to examine the chemical composition and oxidation state of manganese, in particular the Mn{sup 3+}/Mn{sup 4+} ratio from the deconvolution of the complex Mn3p lines. The size of the grains and crystallites were independently obtained from SEM images and XRD patterns, respectively. In all the cases a critical interplay of electronic (Mn{sup 3+}/Mn{sup 4+} ratio), structural (unit cell volume) and magnetic properties was observed depending on the synthesis process. - Graphical abstract: SEM image of Li{sub 0.79}Ni{sub 0.41}Mn{sub 1.35}O{sub 4.45} sample. Display Omitted - Highlights: • LiMn{sub 1.5}M{sub 0.5}O{sub 4} (M=Al, Mg, Ni, Fe) and LiMn{sub 2}O{sub 4}/TiO{sub 2} obtained by sol–gel method. • XRD method was used to determine the crystal structure. • SEM/EDX imaging have been done. • XPS electronic structure was examined and discussed. • Experimental effective magnetic moment and the calculated one were compared.

  12. Magnetic and structural relationship of RFe2Si2 and R(Fe(1-x)M(x))2Si2(x = 0-1) systems (R = La, Y and Lu, M = Ni, Mn and Cu).

    PubMed

    Felner, I; Lv, Bing; Chu, C W

    2014-11-26

    Due to the similarity between AFe(2)As(2) (A = Ba, Sr) and RFe(2)Si(2) (R = La, Y and Lu), the RFe(2)Si(2) system has been proposed as a potential candidate for a new high TC superconducting family containing Fe-Si (instead of Fe-As) layers as a structural unit. Various R (Fe(1-x)M(x))2 Si(2) (M = Ni and Cu) materials were synthesized and measured for their magnetic properties. None of these materials is superconducting down to 1.8 K. A pronounced peak at 232 K was observed in the magnetization curve of YFe(2)Si(2). (57)Fe Mössbauer studies confirm the absence of any long-range magnetic ordering below 232 K. Similar peaks at various temperatures also appear in R (Fe(1-x)M(x))2 Si2 samples. For Y (Fe(1-x)Mn(x))2 Si(2) the peak position is dramatically affected by the magnetic Mn dopants. Four independent factors affect the peak position and shift it to lower temperatures: (i) the lattice parameters, (ii) the concentration of x (iii) the applied magnetic field and (iv) the magnetic nature of M. It is proposed that the magnetic peaks observed in RFe(2)Si(2) and in R (Fe(1-x)M(x))2 Si(2) represent a new nearly ferromagnetic Fermi liquid system, its nature is yet to be determined. PMID:25345499

  13. Magnetic and microwave properties of CoFe/PtMn/CoFe multilayer films

    NASA Astrophysics Data System (ADS)

    Pettiford, C. I.; Zeltser, A.; Yoon, S. D.; Harri, V. G.; Vittoria, C.; Sun, N. X.

    2006-04-01

    CoFe/PtMn/CoFe films were deposited on seed layers of Ru or NiFeCr with CoFe film compositions being either Co-10 at. %Fe or Co-16 at. %Fe. Eight periods of the CoFe/PtMn/CoFe trilayers were also prepared. The magnetic properties and ferromagnetic resonance (FMR) of these films were characterized with vibrating-sample magnetometer, and field-sweep FMR system at X band (~9.5 GHz). The Ru-seeded CoFe/PtMn/CoFe sandwich films show excellent magnetic softness with a low hard axis coercivity of 2-4 Oe, an easy axis Mr/Ms of >98%, and a significantly enhanced in-plane anisotropy of 57-123 Oe when CoFe layer thickness is above 200 A˚. Contrary to what was observed in the ferromagnetic/antiferromagnetic bilayer systems that have reduced FMR linewidth with the increase of film thickness, the CoFe/PtMn/CoFe trilayers with Ru seed layer show a minimum FMR linewidth of 45 Oe at an intermediate CoFe layer thickness of 300 A˚ at ~9.5 GHz.

  14. Structure change associated with the [M(II/III) 1,4,7-triazacyclononane-N,N',N''-triacetate (TCTA)](-/0) electron transfers (M = Mn, Fe, and Ni): crystal structure for [Fe(II)(H2O)6][Fe(II)(TCTA)]2.

    PubMed

    Hatfield, Thomas L; Staples, Richard J; Pierce, David T

    2010-10-18

    Heterogeneous electron-transfer rate measurements using the scanning electrochemical microscope are reported for the [M(TCTA)](-/0) couples (M = Mn, Fe, and Ni) in aqueous solution. Solution IR spectroscopy indicates that N(3)O(3) coordination is preserved for each couple within the pH range of 2-4, and susceptibility measurements indicate little or no interference from spin-state changes at room temperature. Marcus-Hush expressions were used to quantitatively relate structural differences between oxidation states to measured standard heterogeneous electron-transfer rate constants. Good correlation was obtained for the Fe couple, and structural changes associated with the Mn and Ni couples were estimated. In addition, the structure of the Fe(II) complex was determined by X-ray crystallography. The molecule [Fe(H(2)O)(6)][Fe(TCTA)](2) is trigonal, space group P3(1)/c (no. 159) with a = b = 12.530(3) Å, c = 12.656(4) Å, and Z = 2. A notable feature of the structure is that the [Fe(TCTA)](-) complex is distributed between two different geometries, one being rigorously trigonal prismatic and the other having a 26° antiprismatic twist. PMID:20866086

  15. Planar Hall effect bridge sensors with NiFe/Cu/IrMn stack optimized for self-field magnetic bead detection

    NASA Astrophysics Data System (ADS)

    Henriksen, Anders Dahl; Rizzi, Giovanni; Hansen, Mikkel Fougt

    2016-03-01

    The stack composition in trilayer Planar Hall effect bridge sensors is investigated experimentally to identify the optimal stack for magnetic bead detection using the sensor self-field. The sensors were fabricated using exchange-biased stacks Ni80Fe20(tFM)/Cu(tCu)/Mn80Ir20(10 nm) with tFM = 10, 20, and 30 nm, and 0 ≤ tCu ≤ 0.6 nm. The sensors were characterized by magnetic hysteresis measurements, by measurements of the sensor response vs. applied field, and by measurements of the sensor response to a suspension of magnetic beads magnetized by the sensor self-field due to the sensor bias current. The exchange bias field was found to decay exponentially with tCu and inversely with tFM. The reduced exchange field for larger values of tFM and tCu resulted in higher sensitivities to both magnetic fields and magnetic beads. We argue that the maximum magnetic bead signal is limited by Joule heating of the sensors and, thus, that the magnetic stacks should be compared at constant power consumption. For a fixed sensor geometry, the figure of merit for this comparison is the magnetic field sensitivity normalized by the sensor bias voltage. In this regard, we found that sensors with tFM = 20 nm or 30 nm outperformed those with tFM = 10 nm by a factor of approximately two, because the latter have a reduced AMR ratio. Further, the optimum layer thicknesses, tCu ≈ 0.6 nm and tFM = 20-30 nm, gave a 90% higher signal compared to the corresponding sensors with tCu = 0 nm.

  16. Comprehensive study of carbon dioxide adsorption in the metal–organic frameworks M₂(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)

    SciTech Connect

    Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.

    2014-01-01

    Analysis of the CO₂ adsorption properties of a well-known series of metal–organic frameworks M₂(dobdc) (dobdc⁴⁻ = 2,5-dioxido-1,4-benzenedicarboxylate; M = Mg, Mn, Fe, Co, Ni, Cu, and Zn) is carried out in tandem with in situ structural studies to identify the host–guest interactions that lead to significant differences in isosteric heats of CO₂ adsorption. Neutron and X-ray powder diffraction and single crystal X-ray diffraction experiments are used to unveil the site-specific binding properties of CO₂ within many of these materials while systematically varying both the amount of CO₂ and the temperature. Unlike previous studies, we show that CO₂ adsorbed at the metal cations exhibits intramolecular angles with minimal deviations from 180°, a finding that indicates a strongly electrostatic and physisorptive interaction with the framework surface and sheds more light on the ongoing discussion regarding whether CO₂ adsorbs in a linear or nonlinear geometry. This has important implications for proposals that have been made to utilize these materials for the activation and chemical conversion of CO₂. For the weaker CO₂ adsorbents, significant elongation of the metal–O(CO₂) distances are observed and diffraction experiments additionally reveal that secondary CO₂ adsorption sites, while likely stabilized by the population of the primary adsorption sites, significantly contribute to adsorption behavior at ambient temperature. Density functional theory calculations including van der Waals dispersion quantitatively corroborate and rationalize observations regarding intramolecular CO₂ angles and trends in relative geometric properties and heats of adsorption in the M₂(dobdc)–CO₂ adducts.

  17. The influences of temperature and microstructure on the tensile properties of a CoCrFeMnNi high-entropy alloy

    SciTech Connect

    Otto, Frederik; Dlouhy, A.; Somsen, Ch.; Bei, Hongbin; Eggeler, G.; George, Easo P

    2013-01-01

    An equiatomic CoCrFeMnNi high-entropy alloy, which crystallizes in the face-centered cubic (FCC) crystal structure, was produced by arc melting and drop casting. The drop-cast ingots were homogenized, cold rolled, and recrystallized to obtain single-phase microstructures with three different grain sizes in the range 4~160 m. Quasi-static tensile tests were then performed at temperatures between 77 and 1073 K. Yield strength, ultimate tensile strength and ductility all increased with decreasing temperature. During the initial stages of plasticity (up to ~2% strain), deformation occurs by planar dislocation glide on the normal FCC slip system {111} 110 at all temperatures and grain sizes investigated. Undissociated 1/2 110 dislocations were observed, as were numerous stacking faults, which imply the dissociation of several of these dislocations into 1/6 112 Shockley partials. At later stages ( 20% strain), nanoscale deformation twins were observed after interrupted tests at 77 K, but not in specimens tested at room temperature where plasticity occurred exclusively by dislocations which organized into cells. Deformation twinning, by continually decreasing the mean free path of dislocations during tensile testing, produces a high degree of work hardening and a significant increase in the ultimate tensile strength. This increased work hardening prevents the early onset of necking instability and is a reason for the enhanced ductility observed at 77 K. A second way in which twinning can contribute to ductility is by providing an additional deformation mode to accommodate plasticity. However, it cannot explain the increase in yield strength with decreasing temperature in our high-entropy alloy since twinning was not observed in the early stages of plastic deformation. Since strong temperature dependencies of yield strength are also seen in binary FCC solid solution alloys, it may be an inherent solute effect, which needs further study.

  18. Magnetic anisotropy of Fe{sub 1−y}X{sub y}Pt-L1{sub 0} [X = Cr, Mn, Co, Ni, Cu] bulk alloys

    SciTech Connect

    Cuadrado, R.; Chantrell, R. W.; Klemmer, Timothy J.

    2014-10-13

    We demonstrate by means of fully relativistic first principles calculations that, by substitution of Fe by Cr, Mn, Co, Ni, or Cu in FePt-L1{sub 0} bulk alloys, with fixed Pt content, it is possible to tune the magnetocrystalline anisotropy energy by adjusting the content of the non-magnetic species in the material. The changes in the geometry due to the inclusion of each element induces different values of the tetragonality and hence changes in the magnetic anisotropy and in the net magnetic moment. The site resolved magnetic moments of Fe increase with the X content while those of Pt and X are simultaneously reduced. The calculations are in good quantitative agreement with experimental data and demonstrate that models with fixed band structure but varying numbers of electrons per unit cell are insufficient to describe the experimental data for doped FePt-L1{sub 0} alloys.

  19. Ab initio GGA+U study of oxygen evolution and oxygen reduction electrocatalysis on the (001) surfaces of lanthanum transition metal perovskites LaBO₃ (B = Cr, Mn, Fe, Co and Ni).

    PubMed

    Lee, Yueh-Lin; Gadre, Milind J; Shao-Horn, Yang; Morgan, Dane

    2015-09-01

    In this work, we performed density functional theory (DFT) calculations with inclusion of Hubbard U corrections for the transition metal d-electrons, to investigate stability and electrocatalytic activities of the oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) for the ABO3 (A = La; B = Cr, Mn, Fe, Co, and Ni) (001) surfaces. We showed surface binding energies of relevant ORR/OER species are coupled strongly to surface polarity and local oxidation states, giving large (∼1 eV scale per adsorbate) differences in binding between (001) AO and BO2 surfaces, where the more oxidized BO2 bare surfaces in general exhibit weak coverage dependence, while the more reduced AO bare surfaces of the LaCrO3, LaMnO3, and LaFeO3 perovskites with lower d-electron filling show strong/moderate coverage dependences. We then predicted that surface coverage can play a key role in determining surface stability, and when coverage effects are included the AO and BO2(001) surfaces have either similar stability or the AO surface is more stable, as found for 1 monolayer HO* covered AO surfaces of LaCrO3 and LaFeO3 under ORR conditions and 1 monolayer O* covered LaNiO3 AO surface under OER conditions. For the (001) AO surfaces with strong coverage dependent surface adsorption, we predicted a decrease in ORR overpotential of 1-2 V with proper treatment of coverage effects as compared to those of the bare surface simulations. Our results indicated that the GGA+U method and proper treatment of coverage effects more accurately predict ORR and OER overpotentials relative to experimental values as compared to the GGA method and bare surfaces. The overall ORR activity trends vs. the LaBO3 series were predicted to be Co > MnNi > Fe > Cr. PMID:26227442

  20. Diffuse Dielectric Anomalies in (x).Bi0.95Mn0.05FeO3-(1-x).Ni0.5Zn0.5Fe2O4 multiferroic composites

    NASA Astrophysics Data System (ADS)

    Dhanalakshmi, B.; Pratap, K.; Parvatheeswara Rao, B.; Subba Rao, P. S. V.

    2016-04-01

    Multiferroic composites of x.Bi0.95Mn0.05FeO3-(1-x).Ni0.5Zn0.5Fe2O4, where x takes the values of 0, 0.2, 0.4, 0.5, 0.6, 0.8 and 1, have been prepared by combining sol-gel autocombustion and solid state methods. XRD and SEM-EDX measurements on the samples were used to evaluate the structural analysis. Dielectric properties of the composites have been studied as a function of frequency (1 Hz-1 MHz) and temperature (50-350 °C). Two diffuse dielectric anomalies were observed, one at around 100-150 °C and the other at around 260-340 °C, and they were attributed to structural inhomogeneities, Bi/O vacancies and dipole induced charge carrier hopping motions at low temperatures, and to magnetic phase transitions and magneto-electric coupling at high temperatures. Electrical conductivity studies on the samples reveal that the conduction processes are frequency dependent. The results are explained in terms of obtaining a correlation between the structure, chemical modifications and the possible interplay between the obtained parameters of the composites.

  1. Flavonolate complexes of M(II) (M = Mn, Fe, Co, Ni, Cu, and Zn). Structural and functional models for the ES (enzyme-substrate) complex of quercetin 2,3-dioxygenase.

    PubMed

    Sun, Ying-Ji; Huang, Qian-Qian; Tano, Tetsuro; Itoh, Shinobu

    2013-10-01

    A series of flavonolate complexes [M(II)L(fla)] (M = Mn (1), Fe (2), Co (3), Ni (4), Cu (5), and Zn (6), LH: 2-{[bis(pyridin-2-ylmethyl)amino]methyl}benzoic acid, fla: flavonolate) have been synthesized as structural and functional models for the ES (enzyme-substrate) complexes of the active site of various M(II)-containing quercetin 2,3-dioxygenase (2,3-QD) and their structures, spectroscopic features, and redox properties, as well as the reactivity toward molecular oxygen, have been investigated. The metal centers of [Fe(II)L(fla)]·H2O (2), [Co(II)L(fla)]·CH3OH (3), and [Ni(II)L(fla)] (4) exhibit a distorted octahedral geometry with two oxygen atoms of fla, one oxygen atom of the benzoate group of ligand L, and three nitrogen atoms of ligand L, in which oxygen atom of the carbonyl group of fla and one of the pyridine nitrogen atoms occupy the axial positions. The complexes [M(II)L(fla)] exhibit relatively high reactivity in the oxidative ring-opening of the bound flavonolate at lower temperature, presumably due to the existing carboxylate group in the supporting ligand. Thus, our complexes act as good functional ES models of various metal(II)-containing 2,3-QD. In addition, complexes [Fe(II)L(fla)]·H2O (2), [Co(II)L(fla)]·CH3OH (3), and [Ni(II)L(fla)] (4) are the first structurally characterized Fe(II)-, Co(II)-, and Ni(II)-flavonolate complexes, as an active site ES model of Fe(II)-, Co(II)-, and Ni(II)-containing 2,3-QD, respectively. The model complexes exhibit notably different reactivity in the order of Fe (2) > Cu (5) > Co (3) > Ni (4) > Zn (6) > Mn (1). The differences in the reactivity among them may be attributed to the redox potential of the coordinated flavonolate of the complexes, which are remarkably influenced by the Lewis acidity of the metal ion and its coordination environment. Our study is the first example of the metal ion effects on the enzyme-like dioxygenation reactivity, providing important insights into the metal ion effects on the

  2. Characterization of DMS Zn1-xAxO (A: Fe, Ni, Co and Mn, x: 0.01, 0.02, …, 0.1) grown by ECD method

    NASA Astrophysics Data System (ADS)

    Güney, Harun; Coşkun, Cevdet; Meral, Kadem; Tatar, Demet

    2016-06-01

    Zn1-xAxO (A: Fe, Ni, Co and Mn, x: 0.01, 0.02,…, 0.1) films, grown by electrochemical deposition (ECD) on indium tin oxide (ITO) substrate, was characterized by structural, optical, electrical and magnetic techniques. Energy-Dispersive-X-Ray-Fluorescence (EDXRF) spectroscopy showed 5% dopants A. X-ray diffraction (XRD) measurements clearly showed formation of all Zn0,95A0,05O thin films with a strong c-axis (002) preferential orientation. It was calculated a hexagonal wurtzite structure with XRD results. Absorption measurements of the samples were taken about and an important variation in these measurements were not detected as depend on percentage changes of dopant A. Photoluminescence (PL) measurements showed that PL intensities increase in n-type materials, decrease in p-type materials depending upon increasing doping rate of the grown films. Atomic force microscopy (AFM) pictures of films shows that the most homogeny film is Zn0,95Co0,05O and the most roughness film Zn0,95Mn0,05O. Hall measurements showed that samples doped 5% Fe and Co within ZnO are n-type and other samples doped 5% Ni and Mn within ZnO are p-type. Magnetoresistance (MR) measurements show that all films have feature diluted magnetic semiconductor (DMS) at room temperature.

  3. Varied roles of Pb in transition-metal PbMO3 perovskites (M = Ti, V, Cr, Mn, Fe, Ni, Ru)

    NASA Astrophysics Data System (ADS)

    Goodenough, John B.; Zhou, Jianshi

    2015-06-01

    Different structural chemistries resulting from the Pb2+ lone-pair electrons in the PbMO3 perovskites are reviewed. The Pb2+ lone-pair electrons enhance the ferroelectric transition temperature in PbTiO3, stabilize vanadyl formation in PbVO3, and induce a disproportionation reaction of CrIV in PbCrO3. A Pb2+ + NiIV = Pb4+ + NiII reaction in PbNiO3 stabilizes the LiNbO3 structure at ambient pressure, but an A-site Pb4+ in an orthorhombic perovskite PbNiO3 is stabilized at modest pressures at room temperature. In PbMnO3, a ferroelectric displacement due to the lone pair electron effect is minimized by the spin-spin exchange interaction and the strong octahedral site preference of the MnIV/III cation. PbRuO3 is converted under pressure from the defective pyrochlore to the orthorhombic (Pbnm) perovskite structure where Pb-Ru interactions via a common O -2p orbital stabilize at low temperature a metallic Imma phase at ambient pressure. Above Pc ≃ ~32 GPa, a covalent Pb-Ru bond is formed by Pb2+ + RuIV = Pb4+ + RuII electron sharing.

  4. Bis(azulene) "submarine" metal dimer sandwich compounds (C10H8)2M2(M = Ti, V, Cr, Mn, Fe, Co, Ni): Parallel and opposed orientations.

    PubMed

    Wang, Hongyan; Wang, Hui; King, R Bruce; Schaefer, Henry F

    2016-01-15

    The opposed and parallel structures for the binuclear bis(azulene) "submarine" sandwiches (C10H8)2M2 (M = Ti, V, Cr, Mn, Fe, Co, Ni) have been optimized using density functional theory. The lowest energy (C10H8)2 M2 structures of the early transition metals Ti, V, Cr, and Mn have the azulene units functioning as bis(pentahapto) ligands to each metal atom similar to the azulene ligand in the long-known molybdenum carbonyl complex (η(5),η(5)-C10H8 )Mo2 (CO)6 . The metal-metal bonds in these early transition metal structures have distances and Wiberg bond indices consistent with the formal bond orders required to give each metal atom an 18-electron configuration for the singlet structures and a 17-electron configuration for the triplet structures. For the later transition metals Fe, Co, and Ni, the lowest energy (C10H8)2 M2 structures contain pentahapto-trihapto azulene ligands with an uncomplexed C=C double bond, similar to that in the long-known iron carbonyl complex (η(5),η(3)-C10H8)Fe2 (CO)5 . The parallel (η(5),η(3)-C10H8 )2M2 (M = Fe, Co, Ni) structures contain metallocene subunits with their metal atoms at long nonbonding distances of 3.5-3.9 Å from the other metal atom, which is located between the azulene C7 rings. Higher energy opposed (C10H8)2 Fe2 structures contain an unprecedented distorted η(6) ,η(4) -azulene ligand using six carbon atoms for bonding to one iron atom as a hexahapto fulvene ligand and the remaining four carbon atoms for bonding to the other iron atom as a tetrahapto diene ligand. PMID:26213099

  5. Development of High Capacity Na0.7(Ni0.4Mn0.4Co0.1Fe0.1)O2 Cathode Material for Sodium Ion Batteries

    NASA Astrophysics Data System (ADS)

    Kant Kaithwas, Chandra; Kundu, T. K.

    2015-02-01

    Sodium ion battery (SIB) has great potential as sustainable large scale energy storage application compared to lithium-ion battery due to abundance and cost effectiveness of sodium. Na0.7(Ni0.4Mn0.4Co0.1Fe0.1)O2 as new cathode material for SIB is prepared by solid state reaction synthesis method. The structure of the new cathode material was characterized by X- ray diffraction using Co-Kα radiation. Morphologies and particle size range (0.37-1.9 microns) of the Na0.7(Ni0.4Mn0.4Co0.1Fe0.1)O2 cathode material have been identified by scanning electron microscope. Electrochemical performance of the cathode material for coin cell battery using sodium as anode and NaClO4 as electrolyte was examined in constant current mode. The material cycling performance showed very good reversibility between 2.0 - 4.3 V with reversible capacity of 202 mAh g-1 at 0.11 mA current. At C/10 reversible capacity of 191 mAh g-1 have been found. The prepared material shows considerable (40%) retention capacity after 45 cycle of charging and discharging with retention capacity of 79 mAh g-1. Electrochemical impedance spectroscopy analysis has been performed between 100 kHz to 10 mHz frequency range and after 10 cycles the resistance for grain and grain boundaries are found to be 26.20 Ω and 354.7 Ω respectively. Na0.7(Ni0.4Mn0.4Co0.1Fe0.1)O2 can be a promising cathode material for SIB as it shows very good charging and discharging characteristics with high reversible capacity.

  6. Unusual features of magnetism in transition-metal-doped phthalocyanines C32H16N8 TM (TM = Mn, Fe, Co, Ni, Cu)

    NASA Astrophysics Data System (ADS)

    Wang, Zhengjun; Seehra, Mohindar S.

    Transition-metal-doped phthalocyanines (TMPc), semiconductors with potential optoelectronic applications, are planar molecules with the TM atom at the center bound to four N atoms and forming a linear chain along the monoclinic b-axis. Because of this symmetry, the ground states of TMPc often violate the Hunds' rules; e.g. the S = 3/2 state for d5 Mn(II) in β-MnPc, S = 1/2 state for the d7 Co(II) in β-CoPc, and S =0 for Ni(II) in NiPc. The magnetic properties of TMPc are also affected by the stack angle δ between the orientation of the molecular plane and the b-axis, δ being 65°(45°) for α (β) phase. For β-CoPc, our M vs. T data fits well with the Bonner-Fisher model for S = 1/2 AFM Heisenberg linear chain yielding the Co2+-Co2+ exchange constant J/kB = - 1.5 K. For β-MnPc , a long-presumed ferromagnet with TC ~ 9 K, our magnetic studies show it to be an Ising chain magnet with Arrhenius magnetic relaxation governed by J/kB = 2.6 K and the zero-field splitting D/kB = 8.3 K. In β-MnPc, the absence of λ-type peak in specific heat and no peaks in ac susceptibilities near the quoted TC ~ 9 K confirms the absence of long range order (LRO). Instead we argue that LRO is absent in β-MnPc as D >J makes the spins in a chain parallel but canted with respect to spins in neighboring chains.

  7. Electrochemical and corrosion properties of YNi{sub 2.5}M{sub 0.5} (M = Ni, Al, Fe, Cr, Cu, Co, Mn) hybride-forming alloys

    SciTech Connect

    Korobov, I.I.; Vasina, S.Ya.; Petrii, O.A.

    1995-06-01

    Hydrogen sorption by electrode materials based on YNi{sub 2.5}M{sub 0.5} (M = Ni, Al, Fe, Cr, Co, Cu, Mn) intermetallic compounds (IMC) with Cu and PTFE binders is studied in 1 M NaOH solution. The obtained reversible electrochemical capacities correspond to YNi{sub 2.5}M{sub 0.5}H{sub 1.3-1.7} hybrides which are stable at room temperature and atmospheric pressure. The application of Cu binder allows one to more completely use the material sorption capacity and promotes both extraction and sorption of hydrogen by IMC.

  8. Study of the electronic structure of NiCl2, CoCl2, FeCl2, and MnCl2 by the intersecting-spheres model

    NASA Astrophysics Data System (ADS)

    Antoci, S.; Mihich, L.

    1980-04-01

    The self-consistent band structure of the layer crystals NiCl2, CoCl2, FeCl2, and MnCl2 has been calculated by the intersecting-spheres model, using both the Slater and the Gáspár-Kohn-Sham approximation of the exchange potential. The results of these calculations, when compared with the experimental data and with previous results obtained for MgCl2, provide a rough and qualitative but reasonable interpretation of the various x-ray and optical spectra of these materials.

  9. Crystal chemistry of M[PO{sub 2}(OH){sub 2}]{sub 2}.2H{sub 2}O compounds (M=Mg, Mn, Fe, Co, Ni, Zn, Cd): Structural investigation of the Ni, Zn and Cd salts

    SciTech Connect

    Koleva, Violeta Effenberger, Herta

    2007-03-15

    The compounds M[PO{sub 2}(OH){sub 2}]{sub 2}.2H{sub 2}O (M=Mg, Mn, Fe, Co, Ni, Zn, Cd) were prepared from super-saturated aqueous solutions at room temperature. Single-crystal X-ray structure investigations of members with M=Ni, Zn, Cd were performed at 295 and 120 K. The space-group symmetry is P2{sub 1}/n, Z=2. The unit-cell parameters are at 295/120 K for M=Ni: a=7.240(2)/7.202(2), b=9.794(2)/9.799(2), c=5.313(1)/5.285(1) A, {beta}=94.81(1)/94.38(1){sup o}, V=375.4/371.9 A{sup 3}; M=Zn: a=7.263(2)/7.221(2), b=9.893(2)/9.899(3), c=5.328(1)/5.296(2) A, {beta}=94.79(1)/94.31(2){sup o}, V=381.5/377.5 A{sup 3}; M=Cd: a=7.356(2)/7.319(2), b=10.416(2)/10.423(3), c=5.407(1)/5.371(2) A, {beta}=93.85(1)/93.30(2){sup o}, V=413.4/409.1 A{sup 3}. Layers of corner-shared MO{sub 6} octahedra and phosphate tetrahedra are linked by three of the four crystallographically different hydrogen bonds. The fourth hydrogen bond (located within the layer) is worth mentioning because of the short O{sub h}...O bond distance of 2.57-2.61 A at room temperature (2.56-2.57 A at 120 K); only for M=Mg it is increased to 2.65 A. Any marked temperature-dependent variation of the unit-cell dimension is observed only vertical to the layers. The analysis of the infrared (IR) spectroscopy data evidences that the internal PO{sub 4} vibrations are insensitive to the size and the electronic configuration of the M {sup 2+} ions. The slight strengthening of the intra-molecular P-O bonds in the Mg salt is caused by the more ionic character of the Mg-O bonds. All IR spectra exhibit the characteristic 'ABC trio' for acidic salts: 2900-3180 cm{sup -1} (A band), 2000-2450 cm{sup -1} (B band) and 1550-1750 cm{sup -1} (C band). Both the frequency and the intensity of the A band provide an evidence that the PO{sub 2}(OH){sub 2} groups in M[PO{sub 2}(OH){sub 2}]{sub 2}.2H{sub 2}O compounds form weaker hydrogen bonds as compared with other acidic salts with comparable O...O bond distances of about 2.60 A. The

  10. In situ DRIFTs investigation of the reaction mechanism over MnOx-MOy/Ce0.75Zr0.25O2 (M = Fe, Co, Ni, Cu) for the selective catalytic reduction of NOx with NH3

    NASA Astrophysics Data System (ADS)

    Hu, Hang; Zha, Kaiwen; Li, Hongrui; Shi, Liyi; Zhang, Dengsong

    2016-11-01

    A series of MnOx-MOy/Ce0.75Zr0.25O2 (M = Fe, Co, Ni, Cu) catalysts were synthesized by an impregnation method and used for selective catalytic reduction (SCR) of NOx with NH3. The catalytic performances of various MnOx-MOy/Ce0.75Zr0.25O2 catalysts were studied. It was found that MnOx-FeOy/Ce0.75Zr0.25O2 catalyst showed excellent low-temperature activity and a broad temperature window. The catalysts were characterized by N2 adsorption/desorption, X-ray diffraction, X-ray photoelectron spectroscopy and in situ diffuse reflectance infrared transform spectroscopy (DRIFTS). Characterization of the catalyst confirmed the addition of iron oxide can enhance the NO oxidation ability of the catalyst which results in the outstanding low-temperature SCR activity. Meanwhile, iron oxides were well dispersed on catalyst surface which could avoid the agglomeration of active species, contributing to the strong interaction between active species and the support. More importantly, in situ DRIFTS results confirmed that bidentate nitrates are general active species on these catalysts, whereas the reactivity of gaseous NO2 and bridged nitrates got improved because of the addition of Fe.

  11. New family of thiocyanate-bridged Re(IV)-SCN-M(II) (M = Ni, Co, Fe, and Mn) heterobimetallic compounds: synthesis, crystal structure, and magnetic properties.

    PubMed

    González, Ricardo; Acosta, Alvaro; Chiozzone, Raúl; Kremer, Carlos; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Lloret, Francesc; Faus, Juan

    2012-05-21

    The heterobimetallic complexes of formula [(Me(2)phen)(2)M(μ-NCS)Re(NCS)(5)]·CH(3)CN [Me(2)phen = 2,9-dimethyl-1,10-phenanthroline and M = Ni (1), Co (2), Fe (3), and Mn (4)] have been prepared, and their crystal structures have been determined by X-ray diffraction on single crystals. Compounds 1-4 crystallize in the monoclinic C2/c space group, and their structure consists of neutral [(Me(2)phen)(2)M(μ-NCS)Re(NCS)(5)] heterodinuclear units with a Re-SCN-M bridge. Each Re(IV) ion in this series is six-coordinated with one sulfur and five nitrogen atoms from six thiocyanate groups building a somewhat distorted octahedral environment, whereas the M(II) metal ions are five-coordinated with four nitrogen atoms from two bidentate Me(2)phen molecules and a nitrogen atom from the bridging thiocyanate describing distorted trigonal bipyramidal surroundings. The values of the Re···M separation through the thiocyanate bridge in 1-4 vary in the range 5.903(1)-6.117(3) Å. The magnetic properties of 1-4 as well as those of the parent mononuclear Re(IV) compounds (NBu(4))(2)[Re(NCS)(6)] (A1) (NBu(4)(+) = tetra-n-butylammonium cation) and [Zn(NO(3))(Me(2)phen)(2)](2)[Re(NCS)(5)(SCN)] (A2) were investigated in the temperature range 1.9-300 K. Weak antiferromagnetic interactions between the Re(IV) and M(II) ions across the bridging thiocyanate were found in 1-4 [J = -4.3 (1), -2.4 (2), -1.8 (3), and -1.2 cm(-1) (4), the Hamiltonian being defined as Ĥ = -JŜ(Re)·Ŝ(M)]. The magnetic behavior of A2 is that of a magnetically diluted Re(IV) complex with a large and positive value of the zero-field splitting for the ground level (D(Re) = +37.0 cm(-1)). In the case of A1, although its magnetic behavior is similar to that of A2 in the high-temperature range (D(Re) being +19.0 cm(-1)), it exhibits a weak ferromagnetism below 3.0 K with a canting angle of 1.3°. PMID:22574893

  12. Molecule-based magnets formed by bimetallic three-dimensional oxalate networks and chiral tris(bipyridyl) complex cations. The series [ZII(bpy)3][ClO4][MIICrIII(ox)3] (ZII = Ru, Fe, Co, and Ni; MII = Mn, Fe, Co, Ni, Cu, and Zn; ox = oxalate dianion).

    PubMed

    Coronado, E; Galán-Mascarós, J R; Gómez-García, C J; Martínez-Agudo, J M

    2001-01-01

    The synthesis, structure, and physical properties of the series of molecular magnets formulated as [ZII(bpy)3][ClO4][MIICrIII(ox)3] (ZII = Ru, Fe, Co, and Ni; MII = Mn, Fe, Co, Ni, Cu, and Zn; ox = oxalate dianion) are presented. All the compounds are isostructural to the [Ru(bpy)3][ClO4][MnCr(ox)3] member whose structure (cubic space group P4(1)32 with a = 15.506(2) A, Z = 4) consists of a three-dimensional bimetallic network formed by alternating MII and CrIII ions connected by oxalate anions. The identical chirality (lambda in the solved crystal) of all the metallic centers determines the 3D chiral structure adopted by these compounds. The anionic 3D sublattice leaves some holes where the chiral [Z(bpy)3]2+ and ClO4- counterions are located. These compounds behave as soft ferromagnets with ordering temperatures up to 6.6 K and coercive fields up to 8 mT. PMID:11195368

  13. Atmospheric metal pollution (Cr, Cu, Fe, Mn, Ni, Pb and Zn) in Oporto city derived from results for low-volume aerosol samplers and for the moss Sphagnum auriculatum bioindicator.

    PubMed

    Vasconcelos, M T; Tavares, H M

    1998-03-01

    A low-volume aerosol sampler with filters and bags of Sphagnum auriculatum were exposed, in parallel, to the atmosphere of Oporto city for approx. 2 months in 1994, during a dry weather period. The levels of Cr, Cu, Fe, Mn, Ni, Pb and Zn in the moss (weekly samples) and in the filters (daily samples) were determined by atomic absorption spectrophotometry and the results were compared. For all the heavy metals, the rate of metal uptake by moss was significantly correlated with the metal concentration in atmospheric aerosols. The results indicated that moss bags of S. auriculatum can provide a quantitative estimation of the concentration of different heavy metals in urban atmospheres, when specific calibration by mechanic monitoring, at the same sampling point, is performed during a first stage of biomonitoring. The mean aerosol metal concentrations found in the Oporto atmosphere were similar to those observed in other urban atmospheres in different countries. The relative order of the mean metal concentrations was Fe (1.8 micrograms/m3) > Zn > Pb > Cu > Cr > Mn > Ni (20 ng/m3). The aerosol Pb levels were monitored at different sampling points over various periods of time between 1991 and 1997. The mean Pb levels were < or = 0.5 microgram/m3 and approximately constant at each sample point up to January 1996. After that date it decreased by approx. 50%, in consequence of the reduction of the Pb concentration in leaded gasoline. PMID:9525044

  14. Electronic structure and bonding of the 3d transition metal borides, MB, M =Sc, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu through all electron ab initio calculations

    NASA Astrophysics Data System (ADS)

    Tzeli, Demeter; Mavridis, Aristides

    2008-01-01

    The electronic structure and bonding of the ground and some low-lying states of all first row transition metal borides (MB), ScB, TiB, VB, CrB, MnB, FeB, CoB, NiB, and CuB have been studied by multireference configuration interaction (MRCI) methods employing a correlation consistent basis set of quintuple cardinality (5Z). It should be stressed that for all the above nine molecules, experimental results are essentially absent, whereas with the exception of ScB and CuB the remaining seven species are studied theoretically for the first time. We have constructed full potential energy curves at the MRCI/5Z level for a total of 27 low-lying states, subsequently used to extract binding energies, spectroscopic parameters, and bonding schemes. In addition, some 20 or more states for every MB species have been examined at the MRCI/4Z level of theory. The ground state symmetries and corresponding binding energies (in kcal/mol) are Σ-5(ScB), 76; Δ6(TiB), 65; Σ+7(VB), 55; Σ+6(CrB), 31; Π5(MnB), 20; Σ-4(FeB), 54; Δ3(CoB), 66; Σ+2(NiB), 79; and Σ+1(CuB), 49.

  15. High-pressure synthesis of LiTi MF 6 ( M = Mn, Fe, Co, Ni) with trirutile, Na 2SiF 6, and PbSb 2O 6 structures

    NASA Astrophysics Data System (ADS)

    Sekino, Tohru; Endo, Tadashi; Sato, Tsugio; Shimada, Masahiko

    1990-10-01

    High- and low-pressure forms of LiTi M2+F 6 ( M2 = Mn, Fe, Co, and Ni) were prepared by the reaction of LiF, TiF 3, and MF 2 under conditions of 1.5-7.0 GPa and 700-1200°C. All the low-pressure phases belonged to a trirutile structure. On the other hand, the high-pressure phases crystallized in a Na 2SiF 6-type structure for M2+ = Mn and a PbSb 2O 6-type structure for M2+ = Fe, Co, and Ni. According to the Rietveld analysis, it was observed that such structures were basically described as hexagonal close packing of F - ions with cations placed in half of the octahedral sites, but involved a significant difference in cationic proportions at the z = 0 and {1}/{2} levels. Detailed structure data of high- and low-pressure phases are included in the present paper, and the structural stability of each phase is discussed relative to the synthetic P T conditions.

  16. Room temperature multiferroic properties of (Bi{sub 0.95}La{sub 0.05})(Fe{sub 0.97}Mn{sub 0.03})O{sub 3}/NiFe{sub 2}O{sub 4} double layered thin film

    SciTech Connect

    Raghavan, C.M.; Kim, H.J.; Kim, J.W.; Kim, S.S.

    2013-11-15

    Graphical abstract: - Highlights: • Chemical solution deposition of (Bi{sub 0.95}La{sub 0.05})(Fe{sub 0.97}Mn{sub 0.03})O{sub 3}–NiFe{sub 2}O{sub 4} double layered thin film. • Studies on structural, electrical and multiferroic properties. • NiFe{sub 2}O{sub 4} acts as both resistive buffer layer and magnetic source. - Abstract: (Bi{sub 0.95}La{sub 0.05})(Fe{sub 0.97}Mn{sub 0.03})O{sub 3}/NiFe{sub 2}O{sub 4} double layered thin film was prepared on a Pt(111)/Ti/SiO{sub 2}/Si(100) substrate by a chemical solution deposition method. X-ray diffraction and Raman scattering spectroscopy studies confirmed the formation of the distorted rhombohedral perovskite and the inverse spinel cubic structures for the (Bi{sub 0.95}La{sub 0.05})(Fe{sub 0.97}Mn{sub 0.03})O{sub 3}/NiFe{sub 2}O{sub 4} double layered thin film. The (Bi{sub 0.95}La{sub 0.05})(Fe{sub 0.97}Mn{sub 0.03})O{sub 3}/NiFe{sub 2}O{sub 4} double layered thin film exhibited well saturated ferromagnetic (2 M{sub r} of 18.1 emu/cm{sup 3} and 2H{sub c} of 0.32 kOe at 20 kOe) and ferroelectric (2P{sub r} of 60 μC/cm{sup 2} and 2E{sub c} of 813 kV/cm at 866 kV/cm) hysteresis loops with low order of leakage current density (4.5 × 10{sup −6} A/cm{sup 2} at an applied electric field of 100 kV/cm), which suggest the ferroelectric and ferromagnetic multi-layers applications in real devices.

  17. Bioaccumulation of Cd, Co, Cr, Cu, Fe, Hg, Mn, Ni, Pb and Zn in trophosome and vestimentum of the tube worm Riftia pachyptila from Guaymas basin, Gulf of California

    NASA Astrophysics Data System (ADS)

    Ruelas-Inzunza, J.; Páez-Osuna, F.; Soto, Luis A.

    2005-07-01

    Twenty two specimens of vestimentiferan tube worms Riftia pachyptila were collected from Guaymas Basin. The distribution of ten trace metals in trophosome and vestimentum was investigated. Highest mean concentrations of Co, Cu and Fe were detected in the trophosome; while higher mean levels of Cd, Hg, Mn, Ni, Pb and Zn were measured in the vestimentum. However, the t-student test resulted in significant differences (p<0.05) only in the case of Co. Cd and Fe concentrations in vestimentum increased accordingly with the size of specimens. With respect to vent fluids, extreme uptake seems to be a characteristic of R. pachyptila in the case of Cu and Zn but not for the rest of the analyzed metals. Studies concerning accumulation mechanisms of trace metals in R. pachyptila are needed, particularly on the capacity of this organism to tolerate elevated levels of elements considered as non-essential.

  18. The corrosion behavior of Fe-Mn-Al weld metals

    NASA Astrophysics Data System (ADS)

    Aidun, Daryush K.

    2001-02-01

    The corrosion resistance of a newly developed iron-base, Fe-Mn-Al austenitic, and duplex weld metal has been examined in the NACE solution consisting of 5 wt.% NaCl, 0.5 wt.% acetic acid, and the balance distilled water. The electrochemical techniques such as potentiodynamic polarization, Tafel plots, linear polarization, cyclic polarization, and open-circuit potential versus time were employed. The Fe-Mn-Al weld metals did not passivate and exhibited high corrosion rates. Fe-Cr-Ni (310 and 316) weld and base metals were also examined in the NACE solution at room temperature. The 310 and 316 base metals were more resistant to corrosion than the as-welded 310 and 316 weld metals. Postweld heat treatment (PWHT) improved the corrosion performance of the Fe-Mn-Al weld metals. The corrosion resistance of Fe-Mn-Al weld metals after PWHT was still inferior to that of the 310 and 316 weld and base metals.

  19. Tough cryogenic alloys from the Fe-Mn and Fe-Mn-Cr systems

    NASA Technical Reports Server (NTRS)

    Schanfein, M. J.; Zackay, V. F.; Morris, J. W., Jr.

    1974-01-01

    By adjusting composition, metastable gamma (austenite) and epsilon (hexagonal) martensite may be retained in Fe-Mn and Fe-Mn-Cr alloys and used to impact toughness through the TRIP mechanism. The resulting alloys have excellent toughness at cryogenic temperatures. The best alloys obtained to date are: Fe-20Mn, with sigma (sub y) = 79ksi and K sub IC = 275ksi square root of (in) at 77 K, and Fc-16Mn-8Cr, with sigma sub y = 85ksi and K sub IC = 72ksi square root of (in) at 77 K.

  20. Growth and characterization of epitaxial NiMnSb/ZnTe/NiMnSb magnetic multilayers

    NASA Astrophysics Data System (ADS)

    Gerhard, F.; Naydenova, T.; Baussenwein, M.; Schumacher, C.; Gould, C.; Molenkamp, L. W.

    2016-02-01

    The half-metal ferromagnet NiMnSb, with its high spin polarization, low magnetic damping and tunable magnetic anisotropy, is a promising material for applications in spin torque devices. We develop the epitaxial growth of NiMnSb/ZnTe/NiMnSb heterostructures, aiming towards the realization of an all-NiMnSb based magnetic tunneling junction (MTJ). Layers are grown in situ by Molecular Beam Epitaxy (MBE) and Atomic Layer Epitaxy (ALE) methods. By tuning Mn content, the magnetic anisotropy of each of the two NiMnSb layers is adjusted in order to achieve mutually orthogonal uniaxial anisotropies. SQUID measurements of the magnetization along orthogonal crystal directions [110] and [ 1 1 bar 0] confirm that the two layers have mutually orthogonal anisotropy. High Resolution X-Ray Diffraction measurements and simulations confirm the nominal layer stack and demonstrate the high crystalline quality of the individual layers. Such layer stacks provide a potential basis for TMR-based spin-torque devices such as spin-torque oscillators.

  1. Electrodeposition Behavior of Mn with Ni in Acidic Sulfate Solutions

    NASA Astrophysics Data System (ADS)

    Ji, Dan; Le, Xiawen; Zhong, Qingdong; Zhou, Qiongyu

    2014-09-01

    The influence of Mn2+/Ni2+ mole ratio in electrolytes on the Ni-Mn alloy deposits was studied. The electrodeposition mechanism of Mn with Ni is analyzed by the cyclic voltammogram (CV) and an "induced co-deposition" mechanism is proposed for Ni-Mn alloy electrodeposition. The results show that the Mn content in Ni-Mn alloy deposit and the hardness increased with the increase of Mn2+/Ni2+ mole ratio in electrolytes. When the Mn2+/Ni2+ mole ratio in bath was 2/1, the corrosion current density of the deposit coating was the lowest and the corresponding corrosion potential was higher, and under these conditions the coating with a Mn content of 1.20 wt.% showed good corrosion resistance. The scanning electron microscopy (SEM) of the alloy coatings exhibited that the morphology of Ni-Mn alloy coatings were different from Pure Ni coating, and when Mn2+/Ni2+ was 2/1, the surface was compact and homogeneous.

  2. Spectroscopic and thermal degradation behavior of Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) complexes with thiopental sodium anesthesia drug

    NASA Astrophysics Data System (ADS)

    Refat, Moamen S.

    2013-04-01

    A new series of Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) complexes have been synthesized with thiopental sodium anesthesia drug. The elemental analyses of the complexes are confined to stoichiometry of the formulas [M(TPL)3]ṡnH2O (M = Cr(III) or Fe(III); n = 6 or 5), [M(TPL)2(H2O)2]ṡnH2O (M = Mn(II), Co(II) or Ni(II); n = 0 or 4), and [M(TPL)2] (M = Cu(II) or Zn(II); n = 2 or 0) respectively, where TPL is thiopental chelating agent. Structures have been discussed and suggested upon elemental analyses, infrared, Raman, electronic, electron spin resonance, 1H NMR spectral data and magnetic studies. The X-ray powder diffraction (XRD) was performed of metal complexes. The XRD patterns indicate crystalline nature for the complexes. The measured low molar conductance values in dimethylsulfoxide indicate that the complexes are non-electrolyte nature. Spectroscopic discussion refer that coordination take place through three types: Cdbnd N (pyrimidine moiety) nitrogen and C2sbnd S (2-thiolate group) for Cr(III), Mn(II) and Fe(III), C6dbnd O (amido group) oxygen and C2sbnd S (2-thiolate group) for Co(II) and Ni(II), and Cu(II) and Zn(II) ions coordinated via Cdbnd N (pyrimidine moiety) nitrogen, C2dbnd S (2-thiolate group) and C6dbnd O (amido group) oxygen, respectively. The thermal behavior (TG/DTG/DTA) of the complexes was studied and kinetic parameters were determined by Horowitz-Metzger and Coats-Redfern methods. The thiopental and its complexes have been screened for their antimicrobial (G+ and G-) bacteria (Escherichia coli, Staphylococcus aureus, Bacillus subtilis and Pseudomonas aeruginosa) and fungi (Aspergillus flavus and Candida albicans) activities by minimum inhibitory concentration (MIC) method.

  3. Structure and Electrochemistry of LiNi1/3Co1/3-yMyMn1/3O2 (M=Ti, Al, Fe) Positive Electrode Materials

    SciTech Connect

    Wilcox, James; Patoux, Sebastien; Doeff, Marca

    2009-01-14

    A series of materials based on the LiNi1/3Co1/3-yMyMn1/3O2 (M = Ti,Al,Fe) system has been synthesized and examined structurally and electrochemically. It is found that the changes in electrochemical performance depend highly on the nature of the substituting atom and its effect on the crystal structure. Substitution with small amounts of Ti4+ (y = 1/12) leads to the formation of a high-capacity and high-rate positive electrode material. Iron substituted materials suffer from an increased antisite defect concentration and exhibit lower capacities and poor rate capabilities. Single-phase materials are found for LiNi1/3Co1/3-yAlyMn1/3O2 when y<_ 1/4 and all exhibit decreased capacities when cycled to 4.3 V. However, an increase in rate performance and cycle stability upon aluminum substitution is correlated with an improved lamellar structure.

  4. Effect of heat treatment on structural and Mössbauer spectroscopic properties of coprecipitated Mn{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4} ferrite nanoparticles

    SciTech Connect

    Srinivas, Ch.; Babu, Ch. Seshu; Tirupanyam, B. V.; Meena, S. S.; Sastry, D. L.

    2015-06-24

    Results obtained in a systamatic study by X-ray diffraction and Mösssbauer spectroscopy on the structural and magnetic properties on Mn{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4} ferrite nanoparticles heat treated at 200 °C, 500 °C and 800 °C are reported. Average crystallite sizes are estimated to be in the range (2.6nm – 12.8nm). It is observed that crystallite sizes increase with increase in sintering temperature and random variation in lattice parameter was observed. At relatively low sintering temperatures the samples exhibit superparamagnetism and complete ferrite phase was observed at higher heat treatment.

  5. Structural evolution of the double perovskites Sr{sub 2}B'UO{sub 6} (B' = Mn, Fe, Co, Ni, Zn) upon reduction: Magnetic behavior of the uranium cations

    SciTech Connect

    Pinacca, R.M.; Viola, M.C.; Pedregosa, J.C.; Carbonio, R.E.; Lope, M.J. Martinez; Alonso, J.A.

    2011-11-15

    Highlights: {yields} Evolution of the double perovskites Sr{sub 2}B'UO{sub 6} upon reduction were studied by XRPD. {yields} Orthorhombic (Pnma) disordered perovskites SrB'{sub 0.5-x}U{sub 0.5+x}O{sub 3} were obtained at 900 {sup o}C. {yields} U{sup 5+/4+} and Zn{sup 2+} cations are distributed at random over the octahedral positions. {yields} AFM ordering for the perovskite with B' = Zn appears below 30 K. -- Abstract: We describe the preparation of five perovskite oxides obtained upon reduction of Sr{sub 2}B'UO{sub 6} (B' = Mn, Fe, Co, Ni, Zn) with H{sub 2}/N{sub 2} (5%/95%) at 900 {sup o}C during 8 h, and their structural characterization by X-ray powder diffraction (XRPD). During the reduction process there is a partial segregation of the elemental metal when B' = Co, Ni, Fe, and the corresponding B'O oxide when B' = Mn, Zn. Whereas the parent, oxygen stoichiometric double perovskites Sr{sub 2}B'UO{sub 6} are long-range ordered concerning B' and U cations. The crystal structures of the reduced phases, SrB'{sub 0.5-x}U{sub 0.5+x}O{sub 3} with 0.37 < x < 0.27, correspond to simple, disordered perovskites; they are orthorhombic, space group Pnma (No. 62), with a full cationic disorder at the B site. Magnetic measurements performed on the phase with B' = Zn, indicate uncompensated antiferromagnetic ordering of the U{sup 5+}/U{sup 4+} sublattice below 30 K.

  6. Modeling and Characterization of the Magnetocaloric Effect in Ni2MnGa Materials

    SciTech Connect

    Nicholson, Don M; Odbadrakh, Khorgolkhuu; Rios, Orlando; Hodges, Jason P; Ludtka, Gerard Michael; Porter, Wallace D; Sefat, A. S.; Rusanu, Aurelian; Evans III, Boyd Mccutchen

    2012-01-01

    Magnetic shape memory alloys have great promise as magneto-caloric effect refrigerant materials due to their combined magnetic and structural transitions. Computational and experimental research is reported on the Ni2MnGa material system. The magnetic states of this system have been explored using the Wang-Landau statistical approach in conjunction with the Locally Self-consistent Multiple-Scattering (LSMS) method to explore the magnetic states responsible for the magnet-caloric effect in this material. The effects of alloying agents on the transition temperatures of the Ni2MnGa alloy were investigated using differential scanning calorimetry (DSC) and superconducting quantum interference device (SQUID). Neutron scattering experiments were performed to observe the structural and magnetic phase transformations at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory (ORNL) on alloys of Ni-Mn-Ga and Ni-Mn-Ga-Cu-Fe. Data from the observations are discussed in comparison with the computational studies.

  7. Domain Structures and Anisotropy in Exchange-coupled [Co/Pd]-NiFe and [Co/Ni]-NiFe Multilayers

    NASA Astrophysics Data System (ADS)

    Tryputen, Larysa; Chung, Sunjae; Mohseni, Majid; Nguyen, T. N. Anh; Åkerman, Johan; Guo, Feng; McMichael, Robert D.; Ross, Caroline A.

    2014-03-01

    Exchange-coupled multilayers [Co/Pd]5-/NiFe and [Co/Ni]4-NiFe with strong perpendicular magnetic anisotropy have been proposed to use in spin-torque switching and oscillators devices with tilted fixed and free layer to improve their functional performance. We present an experimental study of the magnetization behavior of [Co/Pd]5-/NiFe and [Co/Ni]4-NiFe multilayers measured using magnetometry, magnetic force microscopy (MFM) and ferromagnetic resonance (FMR) as a function of the thickness of the top NiFe layer. We varied the thickness of the NiFe layer in [Co/Pd]5-NiFe (t), t = 0 - 80 nm and [Co/Ni]4-NiFe (t), t = 0.5 - 2.5 nm in order to study the interplay between perpendicular magnetization of the Co/Pd or Co/Ni multilayers and in-plane magnetization of the NiFe. Our magnetometry and FMR data suggest that the [Co/Ni]4/NiFe multilayer behaves like a homogeneous ferromagnetic film with anisotropy that reorients towards in-plane as the NiFe thickness increases, whereas the [Co/Pd]5/NiFe multilayer reveals more complex behavior in which the [Co/Pd] layer retains out-of-plane anisotropy while the magnetization of NiFe layer tilts in-plane with increasing thickness. MFM showed that domains with ~0.1 +/-m size were visible in [Co/Pd]-/NiFe with NiFe thickness of 20-80 nm. Multilayers were patterned into sub-100 nm dots using ion beam etching and their magnetization behavior are compared with unpatterned films.

  8. Guidelines for finding concretionary Mn-Fe oxides in streams

    USGS Publications Warehouse

    Nowlan, G.A.

    1982-01-01

    Concretionary Mn-Fe oxides in streams form at interfaces between oxidizing and reducing environments. A reducing environment produces waters high in dissolved Mn and Fe, and an oxidizing environment causes precipitation. Mineralogical, microprobe, and optical studies of concretionary Mn-Fe oxides may further our understanding of the role of Mn-Fe oxides in determining the trace-element geochemistry of stream sediments. ?? 1982.

  9. Phase Transformation and Magnetic Property of Ni-Mn-Ga Powders Prepared by Dry Ball Milling

    NASA Astrophysics Data System (ADS)

    Tian, B.; Chen, F.; Tong, Y. X.; Li, L.; Zheng, Y. F.

    2012-12-01

    This study investigated the phase transformations and magnetic properties of Ni-Mn-Ga alloy powders prepared by dry ball milling in argon atmosphere. The Fe and Cr elements were found to be introduced in the alloy after ball milling, which should result from the severe collision and friction among the particles, balls, and vial. The x-ray diffraction result indicated that the Fe and Cr elements should have alloyed with the Ni-Mn-Ga matrix. The martensitic transformation temperature and Curie temperature of the 800 °C annealed powders decreased by ~33 °C and increased by ~28 °C, respectively, as compared to that of the bulk alloy. The comprehensive effect of the changing of valence electron concentration of the alloy due to the introduction of Fe and Cr and the grain refinement of the alloy caused by ball milling should be responsible for the reduction of martensitic transformation temperature. The saturation magnetization of the 800 °C annealed powders became larger (~5 emu/g) than that of the bulk alloy. The enhancement of magnetic properties, such as the increase of Curie temperature and enhancement of saturation magnetization of the annealed Ni-Mn-Ga powders, should be attributed to the increase of magnetic exchange caused by introduction of Fe in the alloy. The contaminations of Fe and Cr elements emerging from the dry ball milling process changed the phase transformation and magnetic properties of the Ni-Mn-Ga alloy. Therefore, the dry ball milling process is difficult to control the contamination from the milling medium and not suitable to prepare Ni-Mn-Ga powders. On the contrary, the wet ball milling method under liquid medium should be a better method to prevent the contamination and fabricate pure Ni-Mn-Ga ferromagnetic shape memory alloy powders.

  10. Thermomagnetic hysteresis effects in NiMn and NiMnPd thin films

    NASA Astrophysics Data System (ADS)

    Öner, Y.; Lue, C. S.; Ross, Joseph H.; Rathnayaka, K. D. D.; Naugle, D. G.

    2001-06-01

    dc magnetization measurements, for zero-field cooled (MZFC) and field-cooled (MFC) cases, have been carried out for flash-evaporated Pd-doped NiMn thin films. These included reentrant phases (Ni76-xPdx)Mn24, for 0⩽x⩽5, and Ni75Mn23Pd2, a pure spinglass phase. The studies were performed over the temperature range 3-300 K. Low-field magnetization measurements show the irreversibility effect (MZFC and MFC diverge) at temperatures below the Curie temperature Tc. In Ni75Mn23Pd2, MZFC falls below MFC, as usually observed. However, in reentrant compositions, MZFC crosses MFC upon warming into the ferromagnetic regime, where it stays above MFC at temperatures below Tc. This unusual behavior is attributed to a model of Imry and Ma in which, in a ferromagnet with antiferromagnetic impurities, the impurities can couple to the host ferromagnetic alignment and force the system to break into domains antiferromagnetically coupled to each other. Field-cooled hysteresis measurements indicate the uniaxial anisotropy in these samples to be small, in contrast with the rigid uniaxial anisotropy reported for the corresponding polycrystalline bulk samples. Since the lattice-orbit coupling is weak in the amorphous phase, this clearly demonstrates that the physical origin of the unidirectional anisotropy is associated with the spin-orbit coupling.

  11. Electron spin resonance and magnetization studies on Bi0.5Ca0.5Mn0.95TM0.05O3 (TM = Cr, Fe, Co and Ni)

    NASA Astrophysics Data System (ADS)

    Vijayan, D.; Kurian, Joji; Singh, R.

    2012-04-01

    In this work, we present the temperature dependent ESR and magnetization measurements on 3d TM doped Bi-manganite samples of composition Bi0.5Ca0.5Mn0.95TM0.05O3 (TM = Cr, Fe, Co and Ni) synthesized by solid state reaction method. The temperature dependent double integrated intensity (DI) of the ESR signal and the magnetic moment (M) have been used to estimate the charge ordering temperature (TCO), antiferromagnetic ordering (AFM) onset temperature TO and Neel temperature, TN. The 1/DI and 1/M versus T plots show FM correlations in the temperature range T > TCO and coexistence of ferromagnetic (FM) and AFM correlations in the temperature range TCO > T > TO. The magnetization data give TCO values close to the values obtained from ESR data. The data are analyzed in view of electronic phase separation model. The suppression of charge ordering is explained in view of the changes in short range magnetic interactions between Mn ions and the possible change in the band structure as a result of TM ion doping.

  12. Spectroscopic and DFT Investigation of [M{HB(3,5-iPr2pz)3}(SC6F5)] (M = Mn, Fe, Co, Ni, Cu, and Zn) Model Complexes: Periodic Trends in Metal-thiolate Bonding

    PubMed Central

    Gorelsky, Serge I.; Basumallick, Lipika; Vura-Weis, Josh; Sarangi, Ritimukta; Hodgson, Keith O.; Hedman, Britt; Fujisawa, Kiyoshi; Solomon, Edward I.

    2008-01-01

    A series of metal-varied model complexes [ML(SC6F5)] (where L = hydrotris(3,5-diisopropyl-1-pyrazolyl)borate and M = Mn, Fe, Co, Ni, Cu, and Zn) related to blue copper proteins has been studied by the combination of absorption, MCD, resonance Raman, and S K-edge X-ray absorption spectroscopies. Density functional calculations have been used to characterize these complexes and calculate their spectra. The observed variations in geometry, spectra, and bond energies are interpreted in terms of changes in the nature of metal-ligand bonding interactions. The metal 3d-ligand orbital interaction, which contributes to the covalent bonding in these complexes, becomes stronger in going from Mn(II) to Co(II) (the σ contribution) and to Cu(II) (the π contribution). This change in the covalency results from the increased effective nuclear charge of the metal atom in going from Mn(II) to Zn(II) and the change in the 3d orbital populations (d5→d10). Ionic bonding also plays an important role in determining the overall strength of the ML+-SC6F5− interaction. However, there is a compensating effect: as the covalent contribution to the metal-ligand bonding increases, the ionic contribution decreases. These results provide insight into the Irving-Williams series, where it is found that the bonding of the ligand being replaced by the thiolate makes a major contribution to the observed order of stability constants over the series of metal ions. PMID:15998022

  13. Variations on a Theme by Longhi: I, an Analysis of the Thermodynamic Underpinning of Fe, Mn, and Ni Partitioning into Olivine

    NASA Technical Reports Server (NTRS)

    Jones, John H.

    2010-01-01

    Longhi et al. [1] have used the D(Ni) vs. D(Mg) parameterizations of Jones [2, 3] in attempting to explain the Ni systematics of lunar differentiation. A key element of the Jones parameterization and the Longhi et al. models is that, at very high temperatures, Ni may become incompatible in olivine. Unfortunately, there is no actual experimental evidence that this is ever the case [1]. To date, all experiments designed to demonstrate such incompatibility have failed. Here I will investigate the thermodynamic foundations of the D vs. D(Mg) trends for olivine/liquid discovered by [2].

  14. Giant magnetoresistance in evaporated NiFe/Cu and NiFeCo/Cu multilayers (abstract)

    NASA Astrophysics Data System (ADS)

    Zeltser, A. M.; Smith, Neil

    1996-04-01

    The magnetic and transport properties of electron beam evaporated (Ni83Fe17/Cu)10 and (Ni66Fe16Co18/Cu)10 multilayers (ML) were studied as a function of the Cu spacer and magnetic layer thicknesses (tCu and tNiFe), annealing conditions and Ta buffer layer thickness. The ML were evaporated in a magnetic field at deposition rates ˜ 2 Å/s and background pressure <5×10-8 mbar on Si/SiO2 substrates at Ts=200 °C. These ML exhibited two unique features: (1) ΔR/R and the interlayer coupling did not show oscillatory behavior as a function of tCu; and (2) after magnetic post annealing, ΔR/R increased from <0.3% in the as-deposited state, to up to ˜6% and 7% in Ta/(NiFe/Cu) and (NiFeCo/Cu), respectively. The coupling between the NiFe layers changed from ferromagnetic in the as-deposited state Mr/Ms˜0.9k;20 to essentially antiferromagnetic Mr/Ms<0.2) after appropriate annealing, and the ML became virtually isotropic in-plane. This is quite different from strong oscillatory behavior of giant magnetoresistance (GMR) previously reported in (NiFe/Cu) as-deposited ML made by ion-beam sputtering. After annealing at 300° and 325 °C for 2 h, the ΔR/R became ˜4.5% and ˜6.5% in (NiFe/Cu) and (NiFeCo/Cu) ML, respectively, and remained approximately constant for tCu=20 to 40 Å. The coupling field generally decreased with an increase in Cu and NiFe and after annealing at 300 °C dropped to as low as ˜25 and 45 Oe in (NiFe/Cu) and (NiFeCo/Cu) ML, respectively. The of ΔR/R Ta/(NiFe/Cu) ML increased with the thickness of Ta buffer layer from 30 to 70 Å. The high-angle θ-2θ x-ray scans of (NiFe/Cu) ML showed (111) texture, essentially independent of annealing temperature. The low-angle x-ray diffraction did not reveal roughening of the Cu-NiFe interfaces as a result of annealing. In many respects the GMR behavior of these ML is similar to that reported in sputtered ``discontinuous'' NiFe/Ag. However, in contrast to the latter, the resistivity of NiFe/Cu monotonically

  15. Effects of Fe doping on the structures and properties of hexagonal birnessites - Comparison with Co and Ni doping

    NASA Astrophysics Data System (ADS)

    Yin, Hui; Liu, Fan; Feng, Xionghan; Hu, Tiandou; Zheng, Lirong; Qiu, Guohong; Koopal, Luuk K.; Tan, Wenfeng

    2013-09-01

    Fe-doped hexagonal birnessite was synthesized by adding Fe3+ to the initial reactants, and the effects of Fe doping on the structures and properties of birnessite were investigated and compared with the effects of Co and Ni doping. The underlying mechanisms controlling the incorporation of transition metals (TMs) into the birnessite structure were proposed. Compared to the un-doped control, Fe-doped birnessite has weaker crystallinity, i.e., less stacking of the phyllomanganate sheets in the c direction, and larger surface area. Combination of X-ray photoelectron spectroscopy (XPS) and Mn K-edge XANES and EXAFS spectra demonstrates that Fe doping decreases the Mn average oxidation state (AOS) but has little effect on the basic layer structure and local Mn environments. Fe(III) located in the birnessite layers exhibits high-spin (HS) configuration whereas layer Mn(III) and Co(III) plausibly adopt low-spin (LS) state. The TMs decrease the thickness of birnessite plate crystals along the c axis and affect the unit cell parameter b in the order Fe > Ni > Co. Co and Fe incorporate into the birnessite layers by substitution for Mn(IV) while Ni substitutes for Mn(III). The substitution of TMs into the birnessite layers is governed by the coordination radius (CR), crystal field stabilization energy (CFSE) and oxidation state of the TMs. The variations in potassium contents in doped birnessites together with TM K-edge EXAFS data indicate that most of the Fe (˜81-82%) or Ni (˜66-76%) incorporated into the birnessite structure exists in the interlayer regions, while most of the Co (˜71-80%) occurs in the manganese layers. The compatibility of these TM ions in the birnessite layers is in the order Co > Ni > Fe. The smaller the difference between the CR of Fe, Co or Ni and Mn(IV) or Mn(III), the more dopants are compatible within the Mn layers.

  16. Noncollinear magnetism of Mn nanowires on Fe(1 1 0).

    PubMed

    Igarashi, R N; Miranda, I P; Eleno, L T F; Klautau, A B; Petrilli, H M

    2016-08-17

    Magnetic properties of Mn linear nanochains on a bcc Fe(1 1 0) surface have been studied using the first-principles real space-linear muffin-tin orbital atomic sphere approximation (RS-LMTO-ASA) method. We have considered up to nine Mn atoms deposited on bcc Fe(1 1 0). Our ab initio calculations reveal the competition between the antiferromagnetic Mn-Mn and Mn-Fe couplings, presenting a behavior which is very different from Mn nanowires on Fe(0 0 1), as shown in a previous publication. Due to this competition and non-negligible Dzyaloshinskii-Moriya interaction, noncollinear magnetic structures are stabilized as ground states for the Mn nanochains on Fe(1 1 0). PMID:27346457

  17. Large reversible magnetocaloric effect in Ni-Mn-In-Co

    NASA Astrophysics Data System (ADS)

    Gottschall, Tino; Skokov, Konstantin P.; Frincu, Bianca; Gutfleisch, Oliver

    2015-01-01

    We report on the high irreversible adiabatic temperature change of -8 K in a magnetic field change of 1.95 T in the Heusler compound Ni45.7Mn36.6In13.5Co4.2 showing a first-order magnetostructural transition. Due to the large thermal hysteresis of 10 K, this high ΔTad cannot be obtained in a cyclic way but still the reversible magnetocaloric effect amounts to -3 K—an unexpectedly high value which compares to the ΔTad of La(Fe,Si,Co)13. In order to reveal the nature of this high reversible magnetocaloric effect, in-situ temperature dependent optical microscopy of minor loops of thermal hysteresis has been done.

  18. Synthesis, oxygen permeation, and electrical properties of (La1-xSrx)(Mn0.85Fe0.05Co0.05Ni0.05)O3+ δ -YSZ composite

    NASA Astrophysics Data System (ADS)

    Choi, Hyorim; Kim, Eun Yi; Whang, Chin Myung

    2011-09-01

    New dense composites comprised of a lanthanium manganite system, (La1xSrx)(Mn0.85Fe0.05Co0.05Ni0.05)O3+δ (LSMFCN, Sr2+ (x) = 0˜0.4 mole) and yttria-stabilized zirconia (YSZ) were fabricated for use as oxygen separation membranes. The densification behavior of the LSMFCN/YSZ composites were studied by sintering with different ratios of LSMFCN and YSZ at various temperatures in air. A density of about 95% was achieved for a sintering temperature of 1200°C. The electrical conductivity of the LSMFCN0/YSZ composites as a function of reciprocal absolute temperature with various YSZ contents was measured. The activation energies for conduction below and above 500°C were about 89 kJ/mol and 68 kJ/mol, respectively. The oxygen permeation flux increased until the YSZ concentration was 60 wt. %, then decreased at 80 wt. % of YSZ. The oxygen permeation flux of the 0.5 mm composite membrane was 1.06 sccm/cm2 at a 4:6 mixed ratio of LSMFCN0 /YSZ at 1200°C.

  19. The stability of precepitates and the role of lattice defects in Fe-1at%Cu-1at%Ni-1at%Mn alloy: A phase-field model study

    NASA Astrophysics Data System (ADS)

    Biner, S. B.; Rao, Weifeng; Zhang, Yongfeng

    2016-01-01

    In the first part of this study, the stability of Cu precipitates, up to 2 nm in diameter, in Fe-1at%Cu-1at%Ni-1at%Mn system was evaluated within the framework of phase-field modeling by utilizing a thermodynamic database. The implanted precipitates either in isolated or in clustered arrangements, were unstable and dissolved into the matrix. The dissolution rate decreases with increasing precipitate size; however, it is strongly influenced by the spatial arrangements of the implants and the overall alloy content. In the second part, the precipitation/segregation behavior at a circular dislocation, and square prismatic loops was parametrically studied. While precipitates formed at the dislocation loop, a significant segregation of Cu was observed at prismatic loops with either vacancy or interstitial character. Although, the both types of prismatic loops provide the spatial evolution of the stress-fields with the same absolute magnitude, the vacancy loops appears to be stronger sinks and their sink strength increases with decreasing loop size. The results clearly show the necessity of inclusion of the underlying lattice defects in the microstructure modeling of materials under the irradiation environments.

  20. AC Impedance Behavior of LaNi3.55Mn0.4Al0.3Co0.6Fe0.15 Hydrogen-Storage Alloy: Effect of Surface Area

    NASA Astrophysics Data System (ADS)

    Tliha, M.; Khaldi, C.; Lamloumi, J.

    2016-04-01

    The decrease of Cobalt content in alloy is very beneficial to reduce the production cost of the alloy, whereas the effect of Co on cycle life of the AB5-type hydrogen-storage alloys is extremely important. Therefore, it is interesting to investigate low-Co and/or Co-free AB5-type alloys in which Co was substituted by other elements. Iron is a key element in the development of low-Co AB5-type alloys. The aim of this work is to systematically investigate the effect of the real surface area on the all kinetic properties of a low-Co LaNi3.55Mn0.4Al0.3Co0.6Fe0.15 alloy under cycling using electrochemical impedance spectroscopy (EIS) technique. All kinetic properties of the electrode, such as exchange density, limiting current density, high-rate charge/discharge ability, cycle life time, electrocatalytic activity, and diffusion rate are related to the real surface area. During the EIS analysis, interestingly, we found that with increasing number of charge/discharge cycles, the metal hydride alloy powders undergo micro-cracking into smaller particles, and thus the real surface area of the alloy increases, which then influences the kinetic properties of the electrode reactions.

  1. Metal distribution and disorder in the crystal structure of [NH2Et2][Cr7MF8((t)BuCO2)16] wheel molecules for M = Mn, Fe, Co, Ni, Cu, Zn and Cd.

    PubMed

    Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E P

    2014-12-01

    The homometallic wheel compound [Cr8F8(O2CCMe3)16] formed with fluorine and pivalic acid ligands can be modified by introducing in the synthesis process a divalent cation M capable of octahedral coordination instead of one of the trivalent Cr centres in the ring. Heterometallic mono-anionic species [Cr7MF8(O2CCMe3)16](-) can form diethylammonium salts and be crystallized from ethylacetate solution as compounds with the general formula [NH2Et2][Cr7MF8((t)BuCO2)16][C4H8O2]0.5 for M = Mn, Fe, Co, Ni, Cu, Zn and Cd. Their structures are isomorphous, belonging to the space group P21/c. The study has determined the degree of order for the individual M heterometal over the possible metal positions of the ring in the crystal structure by modelling based on X-ray diffraction data. The model took into account disorder in tert-butyl groups of the pivalate ligands and in the position and orientation of the ethylacetate solvent molecule. The heterometal turned out to be partly ordered in the crystal structure. PMID:25449616

  2. Size tuned polyol-made Zn0.9M0.1Fe2O4 (M = Mn, Co, Ni) ferrite nanoparticles as potential heating agents for magnetic hyperthermia: from synthesis control to toxicity survey

    NASA Astrophysics Data System (ADS)

    Basti, H.; Hanini, A.; Levy, M.; Ben Tahar, L.; Herbst, F.; Smiri, L. S.; Kacem, K.; Gavard, J.; Wilhelm, C.; Gazeau, F.; Chau, F.; Ammar, S.

    2014-12-01

    Zn-rich substituted Zn0.9M0.1Fe2O4 (M = Mn, Co, Ni) ferrite nanoparticles (NPs) of about 5 and 10 nm were produced by the so-called polyol method. They were engineered for hyperthermia therapy based on their magnetic and morphological properties. Indeed, because of their comparatively low Curie temperature and reasonable magnetization, these probes may turn into useful self-regulated heating agents under suitable conditions. For such a purpose, the structure, the microstructure, the magnetic and magnetocalorimetric properties of the produced NPs as well as their in vitro cytotoxicity were investigated. Our results demonstrate that the magnetic properties of these magnetically diluted spinel ferrite particles can be largely modified by just changing their size. They also show that the about 10 nm sized manganese-based ones exhibit the highest heating power under a 700 kHz ac magnetic field and the lowest cytotoxicity on Immortalized human umbilical vascular endothelial cells (HUVEC).

  3. Reactivity of hydrated monovalent first row transition metal ions M(+)(H2O)n, M = V, Cr, Mn, Fe, Co, Ni, Cu, Zn, toward molecular oxygen, nitrous oxide, and carbon dioxide.

    PubMed

    van der Linde, Christian; Hemmann, Sonja; Höckendorf, Robert F; Balaj, O Petru; Beyer, Martin K

    2013-02-14

    The reactions of hydrated monovalent transition metal ions M(+)(H(2)O)(n), M = V, Cr, Mn, Fe, Co, Ni, Cu, Zn, toward molecular oxygen, nitrous oxide, and carbon dioxide were studied by Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry. Clusters containing monovalent chromium, cobalt, nickel, or zinc were reactive toward O(2), while only hydrated cobalt was reactive toward N(2)O. A strongly size dependent reactivity was observed. Chromium and cobalt react very slowly with carbon dioxide. Nanocalorimetric analysis, (18)O(2) exchange, and collision induced dissociation (CID) experiments were done to learn more about the structure of the O(2) products. The thermochemistry for cobalt, nickel, and zinc is comparable to the formation of O(2)(-) from hydrated electrons. These results suggest that cobalt, nickel, and zinc are forming M(2+)/O(2)(-) ion pairs in the cluster, while chromium rather forms a covalently bound dioxygen complex in large clusters, followed by an exothermic dioxide formation in clusters with n ≤ 5. The results show that hydrated singly charged transition metal ions exhibit highly specific reactivities toward O(2), N(2)O, and CO(2). PMID:22506540

  4. First principles study of electronic structure for cubane-like and ring-shaped structures of M{sub 4}O{sub 4}, M{sub 4}S{sub 4} clusters (M = Mn, Fe, Co, Ni, Cu)

    SciTech Connect

    Datta, Soumendu; Rahaman, Badiur

    2015-11-15

    Spin-polarized DFT has been used to perform a comparative study of the geometric structures and electronic properties for isolated M{sub 4}X{sub 4} nano clusters between their two stable isomers - a planar rhombus-like 2D structure and a cubane-like 3D structure with M = Mn, Fe, Co, Ni, Cu ; X = O, S. These two structural patterns of the M{sub 4}X{sub 4} clusters are commonly found as building blocks in several poly-nuclear transition metal complexes in inorganic chemistry. The effects of the van der Waals corrections to the physical properties have been considered in the electronic structure calculations employing the empirical Grimme’s correction (DFT+D2). We report here an interesting trend in their relative structural stability - the isolated M{sub 4}O{sub 4} clusters prefer to stabilize more in the planar structure, while the cubane-like 3D structure is more favorable for most of the isolated M{sub 4}S{sub 4} clusters than their planar 2D counterparts. Our study reveals that this contrasting trend in the relative structural stability is expected to be driven by an interesting interplay between the s-d and p-d hybridization effects of the constituents’ valence electrons.

  5. Magnetically retrievable nickel hydroxide functionalised AFe2O4 (A = Mn, Ni) spinel nanocatalyst for alcohol oxidation

    NASA Astrophysics Data System (ADS)

    Bhat, Pooja B.; Bhat, Badekai Ramachandra

    2016-03-01

    Ultrasmall nickel hydroxide functionalised AFe2O4 (A = Mn, Ni) nanocatalyst was synthesized by traditional co-precipitation method and was examined for oxidation of aromatic alcohols to carbonyls using hydrogen peroxide as terminal oxidant. A very high surface area of 104.55 m2 g-1 was achieved for ferromagnetic MnFe2O4 and 100.50 m2 g-1 for superparamagnetic NiFe2O4, respectively. Efficient oxidation was observed due to the synergized effect of nickel hydroxide (bronsted base) on Lewis center (Fe) of the nanocatalyst. Catalyst recycling experiments revealed that the ultrasmall nanocatalyst can be easily recovered by external magnet and applied for nearly complete oxidation of alcohols for at least five successive cycles. Furthermore, the nickel hydroxide functionalised ultrasmall nanocatalyst exhibited higher efficiency for benzyl alcohol oxidation compared to Ni(OH)2, bare MnFe2O4 and NiFe2O4. Higher conversion rate was observed for nickel hydroxide functionalised NiFe2O4 compared to MnFe2O4. Ultrasmall magnetic nickel hydroxide functionalised nanocatalyst showed environmental friendly, greener route for the oxidation of alcohols without significant loss in activity and selectivity within successive runs.

  6. Synthesis and Characterization of Poly-phase Waste Form: Gd{sub 3}Fe{sub 5}O{sub 12}+(Ni{sub x}Mn{sub 1-x})(Fe{sub y}Cr{sub 1-y}){sub 2}O{sub 4}

    SciTech Connect

    Chae, S.C.; Jang, Y.N.; Bae, I.K.; Ryu, K.W.

    2006-07-01

    The synthesis of poly-phase waste form, which is an immobilization matrix for the HLW, was performed with the mixed composition of garnet and spinel (Gd{sub 3}Fe{sub 5}O{sub 12}+(Ni{sub x}Mn{sub 1-x})(Fe{sub y}Cr{sub 1-y}){sub 2}O{sub 4}) at temperatures in the range of 1200 deg. C to 1400 deg. C. The phases synthesized from all stoichiometric compositions were garnet, perovskite, and spinel. Especially, garnet was synthesized only in the composition of the highest content of Fe(y=0.9), whereas it was not synthesized in other compositions. This result indicated that the content of Fe was closely related to the formation of garnet. The composition of garnet revealed that the content of Gd was exceeded and that of Fe was depleted. Preferential distribution of elements in the phases can be attributed to the nonstoichiometric composition of garnet. (authors)

  7. The investigation of Fe-Mn-based alloys with shape memory effect by small-angle scattering of polarized neutrons

    NASA Astrophysics Data System (ADS)

    Kopitsa, G. P.; Runov, V. V.; Grigoriev, S. V.; Bliznuk, V. V.; Gavriljuk, V. G.; Glavatska, N. I.

    2003-07-01

    The small-angle polarized neutron scattering (SAPNS) technique has been used to study a nuclear and magnetic homogeneity in the distribution of both substituent (Si, Cr, Ni) and interstitial (C, N) alloying elements on the mesoscopic range in Fe-Mn-based alloys with shape memory effect (SME). The four groups of alloys with various basic compositions: FeMn 18 (wt%), FeMn 20Si 6, FeMn 20Cr 9N 0.2 and FeMn 17Cr 9Ni 4Si 6 were investigated. It was found that the small-angle scattering of neutrons and depolarization on these alloys are very small altogether. The scattering did not exceed 1.5% from the incident beam and depolarization ∼2% for all samples. It means that these alloys are well nuclear and magnetically homogeneous on the scale of 10-1000 Å. However, the difference in the homogeneity depending on the compositions still takes place. Thus, the adding of Si in FeMn 18 and FeMn 20Cr 9N 0.2 alloys improves the homogeneity pronouncedly. At once, the effect of the doping by C or N atoms on the homogeneity in FeMn 20Si 6 and FeMn 17Cr 9Ni 4Si 6 alloys is multivalued and depend on the presence of substitutional atoms (Ni and Cr). The capability of SAPNS as a method for the study of mesoscopic homogeneity in materials with SME and testing of the quality of their preparation is discussed.

  8. Magnetic anisotropy and spin wave relaxation in CoFe/PtMn/CoFe trilayer films

    NASA Astrophysics Data System (ADS)

    Ren, Y. H.; Wu, C.; Gong, Y.; Pettiford, C.; Sun, N. X.

    2009-04-01

    We investigated the magnetic anisotropic properties and the spin wave relaxation in trilayer films of CoFe/PtMn/CoFe grown on the seed layer Ru or NiFeCr with CoFe compositions being Co-16 at. % Fe. The measurements were taken in samples with the ferromagnetic layers of CoFe varying from 10 to 500 Å by the ferromagnetic resonance (FMR) technique. The magnetic anisotropic parameters were investigated by rotating the field aligned axis with respect to the spectral field in the configurations of both in plane and out of plane. We determine the effective in-plane anisotropy field of ˜0.005 T, the uniaxial out-of-plane anisotropy of ˜-0.3 T, and the exchange stiffness D of ˜512 meV Å2. Moreover, spin wave damping was estimated by analyzing the FMR linewidth and line shape as a function of the angle between the external field and easy axis and as a function of the thickness of the CoFe layers. We identify an extrinsic contribution of the damping parameter dominated by two-magnon scattering in addition to the intrinsic Gilbert term with a damping parameter, α =0.012. Further, we reveal that a significant linewidth broadening could also be caused by the overlap of the surface and the uniform spin wave excitations. The FMR lines show a strong dependence of the surface anisotropy contribution of free energy in trilayer films.

  9. [NiFeSe]-hydrogenase chemistry.

    PubMed

    Wombwell, Claire; Caputo, Christine A; Reisner, Erwin

    2015-11-17

    The development of technology for the inexpensive generation of the renewable energy vector H2 through water splitting is of immediate economic, ecological, and humanitarian interest. Recent interest in hydrogenases has been fueled by their exceptionally high catalytic rates for H2 production at a marginal overpotential, which is presently only matched by the nonscalable noble metal platinum. The mechanistic understanding of hydrogenase function guides the design of synthetic catalysts, and selection of a suitable hydrogenase enables direct applications in electro- and photocatalysis. [FeFe]-hydrogenases display excellent H2 evolution activity, but they are irreversibly damaged upon exposure to O2, which currently prevents their use in full water splitting systems. O2-tolerant [NiFe]-hydrogenases are known, but they are typically strongly biased toward H2 oxidation, while H2 production by [NiFe]-hydrogenases is often product (H2) inhibited. [NiFeSe]-hydrogenases are a subclass of [NiFe]-hydrogenases with a selenocysteine residue coordinated to the active site nickel center in place of a cysteine. They exhibit a combination of unique properties that are highly advantageous for applications in water splitting compared with other hydrogenases. They display a high H2 evolution rate with marginal inhibition by H2 and tolerance to O2. [NiFeSe]-hydrogenases are therefore one of the most active molecular H2 evolution catalysts applicable in water splitting. Herein, we summarize our recent progress in exploring the unique chemistry of [NiFeSe]-hydrogenases through biomimetic model chemistry and the chemistry with [NiFeSe]-hydrogenases in semiartificial photosynthetic systems. We gain perspective from the structural, spectroscopic, and electrochemical properties of the [NiFeSe]-hydrogenases and compare them with the chemistry of synthetic models of this hydrogenase active site. Our synthetic models give insight into the effects on the electronic properties and reactivity of

  10. Ni(II) Sorption on Biogenic Mn-Oxides with Varying Mn Octahedral Layer Structure

    SciTech Connect

    Zhu, M.; Ginder-Vogel, M; Sparks, D

    2010-01-01

    Biogenic Mn-oxides (BioMnO{sub x}), produced by microorganisms, possess an extraordinary ability to sequester metals. BioMnO{sub x} are generally layered structures containing varying amounts of Mn(III) and vacant sites in the Mn layers. However the relationship between the varying structure of BioMnO{sub x} and metal sorption properties remains unclear. In this study, BioMnO{sub x} produced by Pseudomonas putida strain GB-1 was synthesized at either pH 6, 7, or 8 in CaCl{sub 2} solution, and Ni(II) sorption mechanisms were determined at pH 7 and at different Ni(II) loadings, using isotherm and extended X-ray absorption fine structure (EXAFS) spectroscopic analyses. Our data demonstrate that Ni(II) sorbs at vacant sites in the interlayer of the BioMnO{sub x} and the maximum Ni(II) sorption capacity increases as the formation pH of BioMnO{sub x} decreases. This relation indicates that the quantity of BioMnO{sub x} vacant sites increases as formation conditions become more acidic, which is in good agreement with our companion study. Contents of the vacant sites were quantitatively estimated based on maximum Ni(II) sorption capacity. Additionally, this study reveals that imidazole groups are involved in Ni(II) binding to biomaterials, and have a higher Ni(II) sorption affinity, but a lower site density compared to carboxyl groups.

  11. Noncollinear magnetism of Mn nanowires on Fe(1 1 0)

    NASA Astrophysics Data System (ADS)

    Igarashi, R. N.; Miranda, I. P.; Eleno, L. T. F.; Klautau, A. B.; Petrilli, H. M.

    2016-08-01

    Magnetic properties of Mn linear nanochains on a bcc Fe(1 1 0) surface have been studied using the first-principles real space-linear muffin-tin orbital atomic sphere approximation (RS–LMTO–ASA) method. We have considered up to nine Mn atoms deposited on bcc Fe(1 1 0). Our ab initio calculations reveal the competition between the antiferromagnetic Mn–Mn and Mn–Fe couplings, presenting a behavior which is very different from Mn nanowires on Fe(0 0 1), as shown in a previous publication. Due to this competition and non-negligible Dzyaloshinskii–Moriya interaction, noncollinear magnetic structures are stabilized as ground states for the Mn nanochains on Fe(1 1 0).

  12. The effect of interstitial carbon on the mechanical properties and dislocation substructure evolution in Fe40.4Ni11.3Mn34.8Al7.5Cr6 high entropy alloys

    DOE PAGESBeta

    Wang, Zhangwei; Baker, Ian; Cai, Zhonghou; Chen, Si; Poplawsky, Jonathan D.; Guo, Wei

    2016-09-01

    A systematic study of the effects of up to 1.1 at. % carbon on the mechanical properties and evolution of the dislocation substructure in a series of a high entropy alloys (HEA) based on Fe40.4Ni11.3Mn34.8Al7.5Cr6 is presented. Transmission electron microscopy (TEM), synchrotron X-ray diffraction (XRD) and atom probe tomography (APT) were used to show that all the alloys are single-phase f.c.c. random solid solutions. The lattice constant, determined from synchrotron XRD measurements, increases linearly with increasing carbon concentration, which leads to a linear relationship between the yield strength and the carbon concentration. The dislocation substructures, as determined by a TEM,more » show a transition from wavy slip to planar slip and, at higher strains, and from cell-forming structure (dislocations cells, cell blocks and dense dislocation walls) to non-cell forming structure (Taylor lattice, microbands and domain boundaries) with the addition of carbon, features related to the increase in lattice friction stress. The stacking fault energy (measured via weak-beam imaging of the separation of dislocation partials) decreases with increasing carbon content, which also contributes to the transition from wavy slip to planar slip. The formation of non-cell forming structure induced by carbon leads to a high degree of strain hardening and a substantial increase in the ultimate tensile strength. In conclusion, the consequent postponement of necking due to the high strain hardening, along with the plasticity accommodation arising from the formation of microbands and domain boundaries, result in an increase of ductility due to the carbon addition.« less

  13. Synthesis and characterization of La0.75Ca0.15Sr0.05Ba0.05MnO3-Ni0.9Zn0.1Fe2O4 multiferroic composites

    NASA Astrophysics Data System (ADS)

    Rahaman, Md. D.; Setu, S. H.; Saha, S. K.; Akther Hossain, A. K. M.

    2015-07-01

    In the present work, we report on structural, dielectric, impedance spectroscopic studies and magnetoelectric properties of (1-x) La0.75Ca0.15Sr0.05Ba0.05MnO3 (LCSBMO)+(x) Ni0.9Zn0.1Fe2O4 (NZFO) (x=0.0, 0.1, 0.2, 0.4, 0.6, 0.8 and 1.0) composites. The composites were prepared by the solid state reaction route. The coexistence of a cubic spinel NZFO phase and a tetragonal LCSBMO phase in the composites is confirmed by the X-ray diffraction measurement. Scanning electron microscopy images reveal that NZFO particles were distributed non-uniformly with some porosity in the LCSBMO matrix. Frequency dependent dielectric constant shows usual dielectric dispersion behavior, which may be attributed to the Maxwell-Wagner type interfacial polarization. At higher frequencies (≥105 Hz), due to electronic and ionic polarizations only, the dielectric constant is independent of frequency. Complex impedance shows semicircular arc due to the domination of grain boundary resistance and electric modulus confirms the presence of hopping conduction. The AC conductivity (σAC) obeys the power law and the linearity of logω2 versus logσAC plots indicates that the conduction mechanism is due to small polaron hopping. Low frequency dispersion in permeability is due to domain wall motion and the frequency stability of permeability indicates that the arrangement of the magnetic moment in the polarization process can keep up with the external field. The maximum magnetoelectric voltage coefficient of ~40 mV Oe-1 cm-1 for x=0.8.

  14. Giant magnetoresistance in evaporated Ni-Fe/Cu and Ni-Fe-Co/Cu multilayers

    NASA Astrophysics Data System (ADS)

    Zeltser, Alexander M.; Smith, Neil

    1996-06-01

    The magnetic and transport properties of electron-beam evaporated (Ni83Fe17/Cu)10 and (Ni66Fe16Co18/Cu)10 multilayers were studied as a function of the Cu spacer, magnetic layer and Ta buffer layer thicknesses, as well as annealing conditions. All multilayers exhibited very small giant magnetoresistance (GMR) effect (<0.3%) in the as-deposited state, however, after magnetic post-annealing at 300-325 °C, GMR increased up to 4.5%-7%, depending on the multilayer type. In contrast to sputtered Ni-Fe-(Co)/Cu multilayers, GMR showed no oscillatory behavior as a function of Cu thickness. Similar to that reported in sputtered ``discontinuous'' Ni-Fe/Ag multilayers, it is believed that Cu diffusion along the Ni-Fe-(Co) grain boundaries creates intra-layer magnetic discontinuities in Ni-Fe-(Co) layers which promote inter-layer antiferromagnetic coupling. The evaporated Ni-Fe/Cu multilayers exhibited very low remanence, exceptionally low hysteresis, and quite uniform GMR properties through the thickness of the multilayer. All of these makes them potentially attractive for application to future magnetoresistive reproduce heads for very high areal density magnetic storage systems.

  15. Sonochemical preparation of nanosized amorphous Fe-Ni alloys

    NASA Astrophysics Data System (ADS)

    Shafi, K. V. P. M.; Gedanken, A.; Goldfarb, R. B.; Felner, I.

    1997-05-01

    Nanosized amorphous alloy powders of Fe20Ni80, Fe40Ni60, and Fe60Ni40 were prepared by sonochemical decomposition of solutions of volatile organic precursors, Fe(CO)5 and Ni(CO)4 in decalin, under an argon pressure of 100 to 150 kPa at 273 K. Magnetic susceptibility of Fe40Ni60 and Fe60Ni40 indicates blocking temperatures of 35 K and a magnetic particle size of about 6 nm. Thermogravimetric measurements of Fe20Ni80 give Curie temperatures of 322 °C for amorphous and 550 °C for crystallized forms. Differential scanning calorimetry exhibits an endothermic transition at 335 °C from a combination of the magnetic phase transition and alloy crystallization. The Mössbauer spectrum of crystallized Fe20Ni80 shows a sextet pattern with a hyperfine field of 25.04 T.

  16. LPE growth of Mn, Ni- and Al-substituted copper ferrite films

    NASA Astrophysics Data System (ADS)

    van der Straten, P. J. M.; Metselaar, R.

    1980-06-01

    Single-crystalline Mn-, Ni-, and Al-substituted copper ferrite films are grown by the LPE method from a PbO-B2O3 flux on (111)-MgO substrates. Solid solutions between copper ferrite and Mn3O4, NiFe2O4, and CuAl2O4 are obtained. The segregation coefficients for Ni and Al are shown to be linearly dependent on the growth temperature. From domain-structure observations and from torque measurements it is concluded that a positive uniaxial anisotropy is present in the copper ferrite films. After stress relief at the deposition temperature a stress develops during cooling to room temperature due to a difference in thermal expansion coefficients of film and substrate. This stress is responsible for the observed anisotropy.

  17. Metal elution from Ni- and Fe-based alloy reactors under hydrothermal conditions.

    PubMed

    Faisal, Muhammad; Quitain, Armando T; Urano, Shin-Ya; Daimon, Hiroyuki; Fujie, Koichi

    2004-05-20

    Elution of metals from Ni- and Fe-based alloy (i.e. Inconel 625 and SUS 316) under hydrothermal conditions was investigated. Results showed that metals could be eluted even in a short contact time. At subcritical conditions, a significant amount of Cr was extracted from SUS 316, while only traces of Ni, Fe, Mo, and Mn were eluted. In contrast, Ni was removed in significant amounts compared to Cr when Inconel 625 was tested. Several factors including temperature and contact time were found to affect elution behavior. The presence of air in the fluid even promoted elution under subcritical conditions. PMID:15120875

  18. Corrosion Behavior of Thermally Sprayed NiCrBSi Coating on 16MnR Low-Alloy Steel in KOH Solution

    NASA Astrophysics Data System (ADS)

    Zeng, Q.; Sun, J.; Emori, W.; Jiang, S. L.

    2016-05-01

    NiCrBSi coatings were selected as protective material and air plasma-sprayed on 16MnR low-alloy steel substrates. Corrosion behavior of 16MnR substrates and NiCrBSi coatings in KOH solution were evaluated by polarization resistance ( R p), potentiodynamic polarization curves, electrochemical impedance spectroscopy, and immersion corrosion tests. Electrolytes were solutions with different KOH concentrations. NiCrBSi coating showed superior corrosion resistance in KOH solution compared with the 16MnR. Corrosion current density of 16MnR substrate was 1.7-13.0 times that of NiCrBSi coating in the given concentration of KOH solution. By contrast, R p of NiCrBSi coating was 1.2-8.0 times that of the substrate, indicating that the corrosion rate of NiCrBSi coating was much lower than that of 16MnR substrate. Capacitance and total impedance value of NiCrBSi coating were much higher than those of 16MnR substrate in the same condition. This result indicates that corrosion resistance of NiCrBSi coating was better than that of 16MnR substrate, in accordance with polarization results. NiCrBSi coatings provided good protection for 16MnR substrate in KOH solution. Corrosion products were mainly Ni/Fe/Cr oxides.

  19. Dissimilatory Fe(III) and Mn(IV) reduction.

    PubMed Central

    Lovley, D R

    1991-01-01

    The oxidation of organic matter coupled to the reduction of Fe(III) or Mn(IV) is one of the most important biogeochemical reactions in aquatic sediments, soils, and groundwater. This process, which may have been the first globally significant mechanism for the oxidation of organic matter to carbon dioxide, plays an important role in the oxidation of natural and contaminant organic compounds in a variety of environments and contributes to other phenomena of widespread significance such as the release of metals and nutrients into water supplies, the magnetization of sediments, and the corrosion of metal. Until recently, much of the Fe(III) and Mn(IV) reduction in sedimentary environments was considered to be the result of nonenzymatic processes. However, microorganisms which can effectively couple the oxidation of organic compounds to the reduction of Fe(III) or Mn(IV) have recently been discovered. With Fe(III) or Mn(IV) as the sole electron acceptor, these organisms can completely oxidize fatty acids, hydrogen, or a variety of monoaromatic compounds. This metabolism provides energy to support growth. Sugars and amino acids can be completely oxidized by the cooperative activity of fermentative microorganisms and hydrogen- and fatty-acid-oxidizing Fe(III) and Mn(IV) reducers. This provides a microbial mechanism for the oxidation of the complex assemblage of sedimentary organic matter in Fe(III)- or Mn(IV)-reducing environments. The available evidence indicates that this enzymatic reduction of Fe(III) or Mn(IV) accounts for most of the oxidation of organic matter coupled to reduction of Fe(III) and Mn(IV) in sedimentary environments. Little is known about the diversity and ecology of the microorganisms responsible for Fe(III) and Mn(IV) reduction, and only preliminary studies have been conducted on the physiology and biochemistry of this process. PMID:1886521

  20. Critical evaluation of sequential leaching procedures for the determination of Ni and Mn species in welding fumes.

    PubMed

    Berlinger, B; Náray, M; Sajó, I; Záray, G

    2009-06-01

    corrosion-resistant steel and unalloyed structural steel, respectively. According to the results of the leaching procedures, GMAW fumes are rich in oxidic Ni (79%), while Ni compounds in welding fumes generated during MMAW are mainly in easily soluble form (44%). The crystalline phases were identified in each welding fume by X-ray powder diffraction (XRPD) technique as well. From the XRPD spectra, it is clear that GMAW fumes contain predominantly magnetite (FeFe(2)O(4)). In case of structural steel welding, there was a little amount of ferrite (alpha-Fe) also found. Welding fume generated during MMAW of structural steel contained a complex alkali-alkali earth fluoride phase (KCaF(3)-CaF(2)) and some magnetite and jakobsite (MnFe(2)O(4)). The XRPD results did not fully confirm the ones obtained from the extraction experiments. However, some results, for example the rate of soluble Ni and Mn compounds compared to the total, can be useful for further investigations of welding fumes. PMID:19318590

  1. Influence of Zn on magnetocaloric effect in (0.95)La{sub 0.7}Sr{sub 0.3}MnO{sub 3}/Ni{sub 1−x}Zn{sub x}Fe{sub 2}O{sub 4} ceramic composites

    SciTech Connect

    Anwar, M.S.; Khan, Azmat Ali; Park, K.Y.; Lee, Seung Rok; Ahmed, Faheem; Koo, Bon Heun

    2015-09-15

    Highlights: • Synthesis of magnetic ceramic composites. • Magnetization of dual phase ceramics. • Magnetic entropy change in (0.95)La{sub 0.7}Sr{sub 0.3}MnO{sub 3}/(0.05)Ni{sub 1−x}Zn{sub x}Fe{sub 2}O{sub 4} solid solution. - Abstract: We report the magnetic and magnetocaloric properties of (0.95)La{sub 0.7}Sr{sub 0.3}MnO{sub 3}/(0.05)Ni{sub 1−x}Zn{sub x}Fe{sub 2}O{sub 4} (x = 0.0, 0.1, 0.3, and 0.5) ceramic composites. The composite samples with nominal compositions were prepared using the conventional solid-state reaction method. The phase purity and structure were confirmed by using X-ray diffraction. Temperature dependent magnetization measurements and Arrott analysis reveal second order of magnetic phase transition in the composite samples. A maximum in magnetic entropy change of ∼0.75 J/kg K at 1 T has been observed in (0.95)La{sub 0.7}Sr{sub 0.3}MnO{sub 3}/(0.05)NiFe{sub 2}O{sub 4} sample. The values of magnetic entropy change of these composites make them attractive for potential applications. These composite samples may consider as potential material for magnetic refrigeration near room temperature.

  2. Investigations of Fe and Mn Bioreduction in Unconsolidated Clastic Sediments

    NASA Astrophysics Data System (ADS)

    McKinley, J. P.; Zachara, J. M.; Fredrickson, J. K.; Heald, S. M.

    2003-12-01

    We studied the microbial reduction of Mn and Fe in sediments from Oak Ridge, TN, and the Hanford Site, WA. Bioreduction was by incubation of 1 g sediment in 10 ml of 30 mM pH 7 bicarbonate buffer with 7-9 x 107 cells/ml {it S. putrefaciens} CN32 and 10 mM sodium lactate as electron donor. Solution chemistry was monitored during incubation and sediments were pasteurized before characterization. For the unconsolidated clay-rich saprolite from Oak Ridge, Fe reduction occurred after Mn reduction was essentially complete. In sediments from the Pliocene Ringold Fm. (Hanford), incubated under the same conditions, Fe reduction was inhibited, and Mn(III/IV) was incompletely reduced. When Ringold sediments were incubated under conditions with greater available electron donor, more Fe was reduced after reduction of almost all of the available Mn(IV). Transmission and scanning electron microscopy and X-ray microprobe and XANES analysis of Ringold sediments were used to determine the spatial and temporal distribution of Mn. Initially, Mn(III/IV) was present as fragments of phyllomanganate minerals and as interlammelar precipitates with Fe oxides in micas and on silicate clast surfaces. The precipitates were botryoidal and chemically heterogeneous at the sub-micron scale. Precipitates within micas had expanded and deformed the sheet structure of each flake. With the lesser available donor, Mn reduction essentially ceased after 43 days of incubation, and the bulk Mn XANES spectrum indicated residual Mn(III/IV). X-ray microprobe mapping indicated all of the remaining Mn was associated with interlamellar and grain-surface iron oxides, and microXANES showed that the Mn valence within a single mica clast was heterogeneously distributed, and varied from Mn(III/IV) to Mn(II). At longer incubation times, the Mn nearer to the clast exterior tended to be more uniformly reduced than Mn in the interior. The Mn in clast interiors was apparently not readily bioavailable, but could act to

  3. H+-induced irradiation damage resistance in Fe- and Ni-based metallic glass

    NASA Astrophysics Data System (ADS)

    Zhang, Hongran; Mei, Xianxiu; Zhang, Xiaonan; Li, Xiaona; Wang, Yingmin; Sun, Jianrong; Wang, Younian

    2016-05-01

    In this study, use of 40-keV H+ ion for irradiating metallic glass Fe80Si7.43B12.57 and Ni62Ta38 as well as metallic tungsten (W) at fluences of 1 × 1018 and 3 × 1018 ions/cm2, respectively, was investigated. At the fluence of 1 × 1018 ions/cm2, a crystalline layer appeared in metallic glass Fe80Si7.43B12.57, with α-Fe as the major crystalline phase, coupled with a little Fe2B, Fe3B, and metastable β-Mn-type phase. Fe80Si7.43B12.57 exhibited good soft magnetic properties after irradiation. At the fluence of 3 × 1018 ions/cm2, Ni62Ta38 was found to be amorphous-based, with a little μ-NiTa and Ni3Ta phases. No significant irradiation damage phenomenon appeared in metallic glasses Fe80Si7.43B12.57 and Ni62Ta38. Blistering, flaking, and other damage occurred on the surface of metallic W, and the root-mean-square (RMS) roughness increased with the increase of fluence. Metallic glass Ni62Ta38 exhibited better resistance to H+ irradiation than Fe80Si7.43B12.57, both of which were superior to the metallic W.

  4. Microstructure and twinning in epitaxial NiMnGa films

    SciTech Connect

    Mahnke, Guido J.; Mayr, S. G.; Seibt, M.

    2008-07-01

    Although magnetic shape memory alloys have attracted large scientific interest, miniaturization as single-crystalline thin films is still a greatly unresolved issue. In the present work we investigate the microstructure of epitaxial NiMnGa thin films which are fabricated by sputter deposition on magnesium oxide substrates at elevated temperatures. Transmission and scanning electron microscopy as well as atomic force microscopy studies are employed to relate surface topography to twin formation in 7 M martensitic NiMnGa films. Additional findings include pore formation in substrate proximity as well as minor precipitation with reduced nickel and gallium contents.

  5. First principle-based AKMC modelling of the formation and medium-term evolution of point defect and solute-rich clusters in a neutron irradiated complex Fe-CuMnNiSiP alloy representative of reactor pressure vessel steels

    NASA Astrophysics Data System (ADS)

    Ngayam-Happy, R.; Becquart, C. S.; Domain, C.

    2013-09-01

    The formation and medium-term evolution of point defect and solute-rich clusters under neutron irradiation have been modelled in a complex Fe-CuMnNiSiP alloy representative of RPV steels, by means of first principle-based atomistic kinetic Monte Carlo simulations. The results obtained reproduce most features observed in available experimental studies, highlighting the very good agreement between both series. According to simulation, solute-rich clusters form and develop via an induced segregation mechanism on either the vacancy or interstitial clusters, and these point defect clusters are efficiently generated only in cascade debris and not Frenkel pair flux. The results have revealed the existence of two distinct populations of clusters with different characteristic features. Solute-rich clusters in the first group are bound essentially to interstitial clusters and they are enriched in Mn mostly, but also Ni to a lesser extent. Over the low dose regime, their density increases in the alloy as a result of the accumulation of highly stable interstitial clusters. In the second group, the solute-rich clusters are merged with vacancy clusters, and they contain mostly Cu and Si, but also substantial amount of Mn and Ni. The formation of a sub-population of pure solute clusters has been observed, which results from annihilation of the low stable vacancy clusters on sinks. The results indicate finally that the Mn content in clusters is up to 50%, Cu, Si, and Ni sharing the other half in more or less equivalent amounts. This composition has not demonstrated any noticeable modification with increasing dose over irradiation.

  6. Thermodynamics of nitrogen in Mn-Fe-C melts

    NASA Astrophysics Data System (ADS)

    Lee, Young E.

    2003-12-01

    The present study assesses the available experimental data in the Unified Interaction Parameter (UIP) formalism and proposes a thermodynamic model to describe the solubility of nitrogen over the entire composition range in Mn-Fe-C melts. The solubility of nitrogen was investigated from equilibrium between gaseous nitrogen and nitrogen dissolved in Mn-Fe-C melts. 1/2N_2 (g) + \\underset{raise0.3emsmashriptscriptstyle-}{N} (x,liq.Mn)K = x_N γ _N /P_{N_2^{1/2} } The equilibrium constant, K, and the activity coefficient of nitrogen, γ N, in the UIP formalism were determined taking a liquid Mn and infinite dilution of N in a Mn melt as the standard states for Mn and N, respectively. In K=-5.633+5770/T (1544 to 1841 K) ln K = - 5.633 + 5770/T (1544 to 1841 K)[Figure not available: see fulltext.

  7. Nature of magnetic interactions in 3D {[M(II)(pyrazole)4]2[Nb(IV)(CN)8].4H2O}n (M = Mn, Fe, Co, Ni) molecular magnets.

    PubMed

    Pinkowicz, Dawid; Pełka, Robert; Drath, Olga; Nitek, Wojciech; Bałanda, Maria; Majcher, Anna Małgorzata; Poneti, Giordano; Sieklucka, Barbara

    2010-08-16

    The self-assembly of [Nb(IV)(CN)(8)](4-) with different 3d metal centers in an aqueous solution and an excess of pyrazole resulted in the formation of four 3D isostructural compounds {[M(II)(pyrazole)(4)](2)[Nb(IV)(CN)(8)].4H(2)O}(n), where M(II) = Mn, Fe, Co, and Ni for 1-4, respectively. All four assemblies crystallize in the same I4(1)/a space group and show identical cyanido-bridged structures decorated with pyrazole molecules coordinated to M(II) centers. All four compounds show also long-range magnetic ordering below 24, 8, 6, and 13 K, respectively. A thorough analysis of the structural and magnetic data utilizing the molecular field model has allowed for an estimation of the values of coupling constants J(M-Nb) attributed to the one type of M(II)-NC-Nb(IV) linkage existing in 1-4. The J(M-Nb) values increase monotonically from -6.8 for 1 through -3.1 for 2 and +3.5 for 3, to +8.1 cm(-1) for 4 and are strongly correlated with the number of unpaired electrons on the M(II) metal center. Average orbital contributions to the total exchange coupling constants J(M-Nb) have also been identified and calculated: antiferromagnetic J(AF) = -21.6 cm(-1) originating from the d(xy), d(xz), and d(yz) orbitals of M(II) and ferromagnetic J(F) = +15.4 cm(-1) originating from d(z(2)) and d(x(2)-y(2)) orbitals of M(II). Antiferromagnetic interaction is successively weakened in the 1-4 row with each additional electron on the t(2g) level, which results in a change of the sign of J(M-Nb) and the nature of long-range magnetic ordering from ferrimagnetic in 1 and 2 to ferromagnetic in 3 and 4. PMID:20690767

  8. Site occupancy trend of Co in Ni2MnIn: Ab initio approach

    NASA Astrophysics Data System (ADS)

    Pal, Soumyadipta; Mahadevan, Priya; Biswas, C.

    2015-06-01

    The trend of site occupation of Co at Ni sites of Ni2MnIn system is studied in austenitic phase having L21 structure by ab initio density functional theory (DFT) calculation. The Co atoms prefer to be at Ni sites rather than Mn site and are ferromagetically coupled with Ni and Mn. The ground state has tetragonal structure for Ni1.5Co0.5MnIn and Ni1.25Co0.75MnIn. The Co tends to form cluster.

  9. Mechanisms of Formation and Transformation of Ni-Fe Hydroxycarbonates

    SciTech Connect

    Refait, Ph.; Jeannin, M.; Reffass, M.; Drissi, S.H.; Abdelmoula, M.; Genin, J.-M.R.

    2005-04-26

    The mechanisms of the transformation of (Ni,Fe)(OH)2 precipitates in carbonated aqueous solutions were studied. The reactions were monitored by measuring the redox potential of the aqueous suspension, and end products were studied by Moessbauer spectroscopy, X-ray diffraction and Raman spectroscopy. The oxidation processes were compared to those occurring without Ni, that is when the initial hydroxide is Fe(OH)2. Schematically, the oxidation of Fe(OH)2 involves two intermediate compounds, the carbonated GR of formula Fe{sup II}{sub 4}Fe{sup III}{sub 2}(OH){sub 12}CO{sub 3} {center_dot} 2H{sub 2}O, and ferrihydrite, before to lead finally to goethite {alpha}-FeOOH. It proved possible to prepare Ni(II)-Fe(III) hydroxycarbonates with ratios Fe/Ni from 1/6 to 1/3. When the Fe/Ni ratio is larger than 1/3, a two stage oxidation process takes place. The first stage leads to a Ni(II)-Fe(II)-Fe(III) hydroxycarbonate. The second stage corresponds to the oxidation of the Fe(II) remaining inside the hydroxycarbonate and leads to a mixture of Ni(II)-Fe(III) hydroxycarbonate with ferrihydrite. The main effect of Ni is then to stop the reaction at an intermediate stage, as Ni(II) is not oxidised by O2, leaving unchanged the main features of the mechanisms of transformation.

  10. Critical magnetic transition in TbNi2Mn--magnetization and Mössbauer spectroscopy.

    PubMed

    Wang, J L; Campbell, S J; Kennedy, S J; Zeng, R; Dou, S X; Wu, G H

    2011-06-01

    The structural and magnetic properties of the TbNi(2)Mn(x) series (0.9 ≤ x ≤ 1.10) have been investigated using x-ray diffraction, field- and temperature-dependent AC magnetic susceptibility, DC magnetization (5-340 K; 0-5 T) and (57)Fe Mössbauer spectroscopy (5-300 K). TbNi(2)Mn(x) crystallizes in the MgCu(2)-type structure (space group Fd3m). The additional contributions to the magnetic energy terms from transition-metal-transition-metal interactions (T-T) and rare-earth-transition-metal interactions (R-T) in RNi(2)Mn compounds contribute to their increased magnetic ordering temperatures compared with RNi(2) and RMn(2). Both the lattice constant a and the Curie temperature T(C) exhibit maximal values at the x = 1 composition indicating strong magnetostructural coupling. Analyses of the AC magnetic susceptibility and DC magnetization data of TbNi(2)Mn around the Curie temperature T(C) = 147 K confirm that the magnetic transition is second order with critical exponents β = 0.77 ± 0.12, γ = 1.09 ± 0.07 and δ = 2.51 ± 0.06. These exponents establish that the magnetic interactions in TbNi(2)Mn are long range despite mixed occupancies of Tb and Mn atoms at the 8a site and vacancies. The magnetic entropy - ΔS(M) around T(C) is proportional to (μ(0)H/T(C))(2/3) in agreement with the critical magnetic analyses. The Mössbauer spectra above T(C) are fitted by two sub-spectra in agreement with refinement of the x-ray data while below T(C) three sub-spectra are required to represent the three inequivalent local magnetic environments. PMID:21555840

  11. Fe-Ni composition dependence of magnetic anisotropy in artificially fabricated L1 0-ordered FeNi films.

    PubMed

    Kojima, Takayuki; Ogiwara, Misako; Mizuguchi, Masaki; Kotsugi, Masato; Koganezawa, Tomoyuki; Ohtsuki, Takumi; Tashiro, Taka-Yuki; Takanashi, Koki

    2014-02-12

    We prepared L10-ordered FeNi alloy films by alternate deposition of Fe and Ni monatomic layers, and investigated their magnetic anisotropy. We employed a non-ferromagnetic Au-Cu-Ni buffer layer with a flat surface and good lattice matching to L10-FeNi. An L10-FeNi film grown on Au6Cu51Ni43 showed a large uniaxial magnetic anisotropy energy (Ku = 7.0 × 10(6) erg cm(-)3). Ku monotonically increased with the long-range order parameter (S) of the L10 phase. We investigated the Fe-Ni composition dependence by alternating the deposition of Fe 1 − x and Ni 1 + x monatomic layers (− 0.4 < x < 0.4). Saturation magnetization (Ms) and Ku showed maxima (Ms = 1470 emu cm(-3), Ku = 9.3 × 10(6) erg cm(-3)) for Fe60Ni40 (x = -0.2) while S showed a maximum at the stoichiometric composition (x = 0). The change in the ratio of lattice parameters (c/a) was small for all compositions. We found that enrichment of Fe is very effective to enhance Ku. The large Ms and Ku of Fe60Ni40 indicate that Fe-rich L10-FeNi is promising as a rare-earth-free permanent magnet. PMID:24469082

  12. High-frequency permeability of electroplated CoNiFe and CoNiFe-C alloys

    NASA Astrophysics Data System (ADS)

    Rhen, Fernando M. F.; McCloskey, Paul; O'Donnell, Terence; Roy, Saibal

    We have investigated CoNiFe and CoNiFe-C electrodeposited by pulse reverse plating (PRP) and direct current (DC) techniques. CoNiFe(PRP) films with composition Co 59.4Fe 27.7Ni 12.8 show coercivity of 95 A m -1 (1.2 Oe) and magnetization saturation flux ( μ0Ms) of 1.8 T. Resistivity of CoNiFe (PRP) is about 24 μΩ cm and permeability remains almost constant μr' ˜475 up to 30 MHz with a quality factor ( Q) larger than 10. Additionally, the permeability spectra analysis shows that CoNiFe exhibits a classical eddy current loss at zero bias field and ferromagnetic resonance (FMR) when biased with 0.05 T. Furthermore, a crossover between eddy current and FMR loss is observed for CoNiFe-PRP when baised with 0.05 T. DC and PRP plated CoNiFe-C, which have resistivity and permeability of 85, 38 μΩ cm, μr'=165 and 35 with Q>10 up to 320 MHz, respectively, showed only ferromagnetic resonance losses. The ferromagnetic resonance peaks in CoNiFe and CoNiFe-C are broad and resembles a Gaussian distribution of FMR frequencies. The incorporation of C to CoNiFe reduces eddy current loss, but also reduces the FMR frequency.

  13. Molecular orbital (SCF-X-α-SW) theory of Fe2+-Mn3+, Fe3+-Mn2+, and Fe3+-Mn3+ charge transfer and magnetic exchange in oxides and silicates

    USGS Publications Warehouse

    Sherman, David M.

    1990-01-01

    Metal-metal charge-transfer and magnetic exchange interactions have important effects on the optical spectra, crystal chemistry, and physics of minerals. Previous molecular orbital calculations have provided insight on the nature of Fe2+-Fe3+ and Fe2+-Ti4+ charge-transfer transitions in oxides and silicates. In this work, spin-unrestricted molecular orbital calculations on (FeMnO10) clusters are used to study the nature of magnetic exchange and electron delocalization (charge transfer) associated with Fe3+-Mn2+, Fe3+-Mn3+, and Fe2+-Mn3+ interactions in oxides and silicates. 

  14. A series of borate-rich metalloborophosphates Na{sub 2}[M {sup II}B{sub 3}P{sub 2}O{sub 11}(OH)].0.67H{sub 2}O (M {sup II}=Mg, Mn, Fe, Co, Ni, Cu, Zn): Synthesis, structure and magnetic susceptibility

    SciTech Connect

    Yang Tao; Li Guobao; Ju Jing; Liao Fuhui; Xiong Ming; Lin Jianhua . E-mail: jhlin@pku.edu.cn

    2006-08-15

    A series of metalloborophosphates Na{sub 2}[M {sup II}B{sub 3}P{sub 2}O{sub 11}(OH)].0.67H{sub 2}O (M {sup II}=Mg, Mn, Fe, Co, Ni, Cu, Zn) have been prepared hydrothermally and their structures have been solved by single-crystal diffraction techniques. They all crystallize in a hexagonal space group P6{sub 3} and form a 3D microporous structure with 12-membered ring channels consisted of octahedral (M {sup II}O{sub 6}), tetrahedral (BO{sub 4}, PO{sub 4}) and triangular (BO{sub 2}(OH)) units, in which the counter Na{sup +} cations and water molecules are located. The Na{sup +} cations are mobile and can be exchanged by Li{sup +} in a melt of LiNO{sub 3}. Their open frameworks are thermal stable up to about 500 deg. C. Completed solid solutions between two different transition metals can also be obtained. Magnetic properties of Na{sub 2}[M {sup II}B{sub 3}P{sub 2}O{sub 11}(OH)].0.67H{sub 2}O (M {sup II}=Mn, Co, Ni, Cu) have been investigated. - Graphical abstract: A series of metalloborophosphates Na{sub 2}[M {sup II}B{sub 3}P{sub 2}O{sub 11}(OH)].0.67H{sub 2}O (M {sup II}=Mg, Mn, Fe, Co, Ni, Cu, Zn) were synthesized under hydrothermal conditions (473 K). The structure consists of microporous 3D open framework with 12-membered ring channels composed of octahedral (M {sup II}O{sub 6}), tetrahedral (BO{sub 4}, PO{sub 4}) and triangular (BO{sub 2}(OH)) units.

  15. Local Observation of the Site Occupancy of Mn in a MnFePSi Compound

    NASA Astrophysics Data System (ADS)

    Neish, M. J.; Oxley, M. P.; Guo, J.; Sales, B. C.; Allen, L. J.; Chisholm, M. F.

    2015-03-01

    MnFePSi compounds are promising materials for magnetic refrigeration as they exhibit a giant magnetocaloric effect. From first principles calculations and experiments on bulk materials, it has been proposed that this is due to the Mn and Fe atoms preferentially occupying two different sites within the atomic lattice. A recently developed technique was used to deconvolve the obscuring effects of both multiple elastic scattering and thermal diffuse scattering of the probe in an atomic resolution electron energy-loss spectroscopy investigation of a MnFePSi compound. This reveals, unambiguously, that the Mn atoms preferentially occupy the 3 g site in a hexagonal crystal structure, confirming the theoretical predictions. After deconvolution, the data exhibit a difference in the Fe L2 ,3 ratio between the 3 f and 3 g sites consistent with differences in magnetic moments calculated from first principles, which are also not observed in the raw data.

  16. First-principles study of magnetic properties of Fe-Ni based alloys

    NASA Astrophysics Data System (ADS)

    Onoue, M.; Trimarchi, G.; Freeman, A. J.

    2013-03-01

    Investigations of the magnetic properties of Fe-Ni based alloys are important from the fundamental as well as technological points of view. Furthermore, the magnetization at saturation and Curie temperature (TC) of FeNi can be tuned for specific applications by alloying with other metallic species. We have performed electronic structure calculations on Fe-Ni- M alloys, where M are 3d transition metals, to determine how the magnetization depends on the species M and alloy composition. Electronic band structure and total energies are calculated by the Korringa-Kohn-Rostoker method within the coherent-potential-approximation (KKR-CPA). For the KKR-CPA calculations, we use the generalized gradient approximation of the exchange and correlation functional. In the case of Fe0.50Ni0.45M0 . 05 (M=Sc, Ti, V, Cr, Mn, and Co), the early 3 d atoms have antiparallel magnetic moments to the Fe or Ni, whereas the late ones, Mn and Co, have a parallel magnetic moment. Supported by the NU-Boeing Alliance

  17. Effect of 3d transition elements substitution for Ni in Ni2Mn1+xSn1-x on the phase stability and magnetic properties: A first principle investigation

    NASA Astrophysics Data System (ADS)

    Wang, Xu; Shang, Jia-Xiang; Wang, Fu-He; Jiang, Cheng-Bao; Xu, Hui-Bin

    2014-11-01

    In hope of understanding the origin of the 3d-transition elements doping effect on the phase stability and magnetic properties of the ferromagnetic shape memory Heusler alloy Ni-Mn-Sn, the Ni-Z-Mn-Sn system with Z=Ni, Cu, Co, Fe, Mn and Cr is investigated using first-principles calculations. The calculated results show that the energetically favorable magnetic order of the L21 structure is antiferromagnetic for Z=Ni and Cu, and ferromagnetic for the Z=Co, Fe, Mn and Cr. However, for L10 structure, the antiferromagnetic state has an energetical preference for each alloy. Accordingly, a magnetic transition accompanies with the martensite phase transformation and a large change in the magnetic moment can be observed in the alloys with the L21 under the ferromagnetic state, which is mainly dependent on the coupling behaviors of the doped atoms. The weak ferromagnetic coupling between the Ni/Cu and Mn, the strong ferromagnetic coupling between Co/Fe and Mn and the antiferromagnetic coupling between Mn/Cr and Mn play an important role on the magnetic order of L21 structures. Furthermore, the Bethe-Slater model is employed to gain a further understanding and regulation of the coupling behaviors of different doping elements, which is very sensitive to the interatomic distance. These calculated results may help in gaining an insight into the doping behavior of these transition metals and provide some theoretical aid to the material design.

  18. Diffusion Quantum Monte Carlo predictions for bulk MnNiO3

    NASA Astrophysics Data System (ADS)

    Mitra, Chandrima; Krogel, Jaron; Reboredo, Fernando A.

    MnNiO3 is a strongly correlated transition metal oxide that has recently been investigated theoretically for its potential application as an oxygen-evolution photo-catalyst. However, there is no experimental report on critical quantities like its band gap or its bulk modulus. Recent theoretical predictions with standard functionals, such as PBE +U and HSE show large discrepancies in the band-gaps (about 1.23 eV), depending on the nature of the functional used. Hence, there is clearly a need for an accurate quantitative prediction of the band-gap in order to decide its usefulness as a photo-catalyst. In this work, we present Diffusion Quantum Monte Carlo (DMC) study of the bulk properties of MnNiO3. This includes the quasiparticle band gap for the two spin channels, the equilibrium lattice parameter and the bulk modulus. The DMC approach has already been shown to achieve excellent agreement with experimental results for other oxides such as ZnO NiO and Fe2O3. To our knowledge, MnNiO3 is the first case where this theory is applied before experiments are done. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division.

  19. Synthesis and properties of A{sub 6}B{sub 2}(OH){sub 16}Cl{sub 2}.4H{sub 2}O (A = Mg, Ni, Zn, Co, Mn and B = Al, Fe) materials for environmental applications

    SciTech Connect

    Dias, Anderson; Cunha, Lumena; Vieira, Andiara C.

    2011-09-15

    Highlights: {yields} A{sub 6}B{sub 2}(OH){sub 16}Cl{sub 2}.4H{sub 2}O (A = Mg, Ni, Zn, Co, Mn and B = Al, Fe) materials were synthesized. {yields} Chemical synthesis produced different levels of crystallinity and ordering degree. {yields} Structural investigation by Raman scattering revealed a complex band structure. {yields} A strong correlation between band structure and ionic radius was determined. -- Abstract: Double layered hydroxide materials of composition A{sub 6}B{sub 2}(OH){sub 16}Cl{sub 2}.4H{sub 2}O (A = Mg, Ni, Zn, Co, Mn and B = Al, Fe) were synthesized by chemical precipitation at 60 {sup o}C. Different levels of crystallinity and ordering degree were observed depending upon the chemical environment or the combination between divalent and trivalent cations. The results from high-resolution transmission electron microscopy revealed that nanostructured layered samples were obtained with interplanar spacing compatible with previous literature. Raman scattering was employed to investigate the complex band structure observed, particularly the lattice vibrations at lower frequencies, which is intimately correlated to the cationic radius of both divalent and trivalent ions. The results showed that strongly coordinated water and chloride ions besides highly structured hydroxide layers have a direct influence on the stability of the hydrotalcites. It was observed that transition and decomposition temperatures varied largely for different chemical compositions.

  20. Hydrogen Embrittlement Susceptibility of Fe-Mn Binary Alloys with High Mn Content: Effects of Stable and Metastable ɛ-Martensite, and Mn Concentration

    NASA Astrophysics Data System (ADS)

    Koyama, Motomichi; Okazaki, Shota; Sawaguchi, Takahiro; Tsuzaki, Kaneaki

    2016-06-01

    To obtain a basic understanding of hydrogen embrittlement associated with ɛ-martensite, we investigated the tensile behavior of binary Fe-Mn alloys with high Mn content under cathodic hydrogen charging. We used Fe-20Mn, Fe-28Mn, Fe-32Mn, and Fe-40Mn alloys. The correlation between the microstructure and crack morphology was clarified through electron backscatter diffraction measurements and electron channeling contrast imaging. ɛ-martensite in the Fe-20Mn alloy critically deteriorated the resistance to hydrogen embrittlement owing to transformation to α'-martensite. However, when ɛ-martensite is stable, hydrogen embrittlement susceptibility became low, particularly in the Fe-32Mn alloys, even though the formation of ɛ-martensite plates assisted boundary cracking. The Fe-40Mn alloys, in which no martensite forms even after fracture, showed higher hydrogen embrittlement susceptibility compared to the Fe-32Mn alloy. Namely, in Fe-Mn binary alloys, the Mn content has an optimal value for hydrogen embrittlement susceptibility because of the following two reasons: (1) The formation of stable ɛ-martensite seems to have a positive effect in suppressing hydrogen-enhanced localized plasticity, but causes boundary cracking, and (2) an increase in Mn content stabilizes austenite, suppressing martensite-related cracking, but probably decreases the cohesive energy of grain boundaries, causing intergranular cracking. As a consequence, the optimal Mn content was 32 wt pct in the present alloys.

  1. Is the enrichment of metals in Mn-Fe nodules from the central Pacific correlated with glacial-interglacial stages?

    NASA Astrophysics Data System (ADS)

    Wegorzewski, A.; Kuhn, T.

    2012-12-01

    Polymetallic nodules and crusts contain high concentrations of Mn, Fe, Ni, Cu, Co and HFSE. The BGR has been exploring a German license area between the Clarion- and Clipperton Fracture Zone (CCFZ) in the Pacific for nodule abundance and metal content. Nodules are Mn-Fe oxy-hydroxide precipitations consisting of concentrically banded microlayers of different chemical and mineralogical composition. There are layers with high Mn/Fe ratios (3-400) and high Ni+Cu (2-6 wt%) but low Co contents (0.01-0.2 wt%). Mineralogically these layers consists of todorokite and birnessite. In contrast there are layers with low Mn/Fe ≤ 3 and low Ni+Cu (~1 wt%) but increased Co content (0.2-0.5 wt%) and consist mineralogically of Fe-rich vernadite which is epitaxial intergrown with feroxyhyte nanoparticles (Bodei et al., 2007). The different composition of the layers is depending on different growth processes, such as hydrogenetic (metal precipitation from the water column under oxic conditions; Mn/Fe ≤ 3) or diagenetic (metal precipitation from the sediment pore water under oxic (Mn/Fe 3-10) or suboxic (Mn/Fe ≥ 10) conditions; Halbach et al., 1988). X-ray Photoelectron Spectroscopy analyses of recently precipitated outer layers show low Mn/Fe ratios (1.4-2.8). The Ni+Cu content range from 0.34-1.86 wt% and Co shows concentrations between 0.33-1.42 wt%. These results are typical for hydrogenetic processes. They may indicate that in the oxic pore water the same metal enrichment processes prevail as in oxic seawater. Oxygen measurements of near-bottom and pore water proved that the nodules are currently growing under oxic conditions (Mewes, K.,unpub. data). Layers with Mn/Fe ratios of 3-400 cannot grow under such oxic conditions. The high fractionation of Mn and Fe is only possible under suboxic conditions as they are currently predominating in the Peru Basin (PB). Similar growth structures and Mn/Fe ratios of individual layers from CCFZ and PB nodules indicate suboxic conditions

  2. Euhedral metallic-Fe-Ni grains in extraterrestrial samples

    NASA Technical Reports Server (NTRS)

    Rubin, Alan E.

    1993-01-01

    Metallic Fe-Ni is rare in terrestrial rocks, being largely restricted to serpentinized peridotites and volcanic rocks that assimilated carbonaceous material. In contrast, metallic Fe-Ni is nearly ubiquitous among extraterrestrial samples (i.e., meteorites, lunar rocks, and interplanetary dust particles). Anhedral grains are common. For example, in eucrites and lunar basalts, most of the metallic Fe-Ni occurs interstitially between silicate grains and thus tends to have irregular morphologies. In many porphyritic chondrules, metallic Fe-Ni and troilite form rounded blebs in the mesostasis because their precursors were immiscible droplets. In metamorphosed ordinary chondrites, metallic Fe-Ni and troilite form coarse anhedral grains. Some of the metallic Fe-Ni and troilite grains has also been mobilized and injected into fractures in adjacent silicate grains where local shock-reheating temperatures reached the Fe-FeS eutectic (988 C). In interplanetary dust particles metallic Fe-Ni most commonly occurs along with sulfide as spheroids and fragments. Euhedral metallic Fe-Ni grains are extremely rare. Several conditions must be met before such grains can form: (1) grain growth must occur at free surfaces, restricting euhedral metallic Fe-Ni grains to systems that are igneous or undergoing vapor-deposition; (2) the metal (+/-) sulfide assemblage must have an appropriate bulk composition so that taenite is the liquidus phase in igneous systems or the stable condensate phase in vapor-deposition systems; and (3) metallic Fe-Ni grains must remain underformed during subsequent compaction, thermal metamorphism, and shock. Because of these restrictions, the occurrence of euhedral metallic Fe-Ni grains in an object can potentially provide important petrogenetic information. Despite its rarity, euhedral metallic Fe-Ni occurs in a wide variety of extraterrestrial materials. Some of these materials formed in the solar nebula; others formed on parent body surfaces by meteoroid

  3. Magnetic properties of nanocrystalline Ni-Zn, Zn-Mn, and Ni-Mn ferrites synthesized by reverse micelle technique

    NASA Astrophysics Data System (ADS)

    Gubbala, S.; Nathani, H.; Koizol, K.; Misra, R. D. K.

    2004-05-01

    Nanocrystalline nickel-zinc, zinc-manganese, and nickel-manganese ferrites synthesized by reverse micelle synthesis technique were characterized by high-resolution transmission electron microscopy (HRTEM) and X-ray diffraction, and the magnetic behavior studied by Superconducting Quantum Interference Device. The mixed (Ni-Zn, Zn-Mn, and Ni-Mn) ferrites exhibit blocking temperatures of 11, 20, and 15 K, respectively. The small differences in the blocking temperatures are attributed to the magnetocrystalline anisotropy and L-S coupling. The saturation magnetization of nanocrystalline Ni-Zn, Zn-Mn, and Ni-Mn at 300 K was 4.5, 9, and 7 emu/g, respectively, and at 2 K was 15, 19, and 14 emu/g, respectively. The lower saturation magnetization of the nanocrystalline ferrites compared to their bulk counterparts is attributed to the core-shell morphology of the particles consisting of ferromagnetically aligned core spins and a spin-glass-like surface layer.

  4. Mn-Fe base and Mn-Cr-Fe base austenitic alloys

    DOEpatents

    Brager, Howard R.; Garner, Francis A.

    1987-09-01

    Manganese-iron base and manganese-chromium-iron base austenitic alloys designed to have resistance to neutron irradiation induced swelling and low activation have the following compositions (in weight percent): 20 to 40 Mn; up to about 15 Cr; about 0.4 to about 3.0 Si; an austenite stabilizing element selected from C and N, alone or in combination with each other, and in an amount effective to substantially stabilize the austenite phase, but less than about 0.7 C, and less than about 0.3 N; up to about 2.5 V; up to about 0.1 P; up to about 0.01 B; up to about 3.0 Al; up to about 0.5 Ni; up to about 2.0 W; up to about 1.0 Ti; up to about 1.0 Ta; and with the remainder of the alloy being essentially iron.

  5. Mn-Fe base and Mn-Cr-Fe base austenitic alloys

    DOEpatents

    Brager, Howard R.; Garner, Francis A.

    1987-01-01

    Manganese-iron base and manganese-chromium-iron base austenitic alloys designed to have resistance to neutron irradiation induced swelling and low activation have the following compositions (in weight percent): 20 to 40 Mn; up to about 15 Cr; about 0.4 to about 3.0 Si; an austenite stabilizing element selected from C and N, alone or in combination with each other, and in an amount effective to substantially stabilize the austenite phase, but less than about 0.7 C, and less than about 0.3 N; up to about 2.5 V; up to about 0.1 P; up to about 0.01 B; up to about 3.0 Al; up to about 0.5 Ni; up to about 2.0 W; up to about 1.0 Ti; up to about 1.0 Ta; and with the remainder of the alloy being essentially iron.

  6. Fe(II)-mediated reduction and repartitioning of structurally incorporated Cu, Co, and Mn in iron oxides.

    PubMed

    Frierdich, Andrew J; Catalano, Jeffrey G

    2012-10-16

    The reduction of trace elements and contaminants by Fe(II) at Fe(III) oxide surfaces is well documented. However, the effect of aqueous Fe(II) on the fate of redox-active trace elements structurally incorporated into iron oxides is unknown. Here, we investigate the fate of redox-active elements during Fe(II)-activated recrystallization of Cu-, Co-, and Mn-substituted goethite and hematite. Enhanced release of Cu, Co, and Mn to solution occurs upon exposure of all materials to aqueous Fe(II) relative to reactions in Fe(II)-free fluids. The quantity of trace element release increases with pH when Fe(II) is present but decreases with increasing pH in the absence of Fe(II). Co and Mn release from goethite is predicted well using a second-order kinetic model, consistent with the release of redox-inactive elements such as Ni and Zn. However, Cu release and Co and Mn release from hematite require the sum of two rates to adequately model the kinetic data. Greater uptake of Fe(II) by Cu-, Co-, and Mn-substituted iron oxides relative to analogues containing only redox-inactive elements suggests that net Fe(II) oxidation occurs. Reduction of Cu, Co, and Mn in all materials following reaction with Fe(II) at pHs 7.0-7.5 is confirmed by X-ray absorption near-edge structure spectroscopy. This work shows that redox-sensitive elements structurally incorporated within iron oxides are reduced and repartitioned into fluids during Fe(II)-mediated recrystallization. Such abiotic reactions likely operate in tandem with partial microbial and abiotic iron reduction or during the migration of Fe(II)-containing fluids, mobilizing structurally bound contaminants and micronutrients in aquatic systems. PMID:22970760

  7. Martensitic transformation of FeNi nanofilm induced by interfacial stress generated in FeNi/V nanomultilayered structure

    PubMed Central

    2014-01-01

    FeNi/V nanomultilayered films with different V layer thicknesses were synthesized by magnetron sputtering. By adjusting the thickness of the V layer, different interfacial compressive stress were imposed on FeNi layers and the effect of interfacial stress on martensitic transformation of the FeNi film was investigated. Without insertion of V layers, the FeNi film exhibits a face-centered cubic (fcc) structure. With the thickness of V inserted layers up to 1.5 nm, under the coherent growth structure in FeNi/V nanomultilayered films, FeNi layers bear interfacial compressive stress due to the larger lattice parameter relative to V, which induces the martensitic transformation of the FeNi film. As the V layer thickness increases to 2.0 nm, V layers cannot keep the coherent growth structure with FeNi layers, leading to the disappearance of interfacial compressive stress and termination of the martensitic transformation in the FeNi film. The interfacial compressive stress-induced martensitic transformation of the FeNi nanofilm is verified through experiment. The method of imposing and modulating the interfacial stress through the epitaxial growth structure in the nanomultilayered films should be noticed and utilized. PMID:25232296

  8. [FeFe]- and [NiFe]-hydrogenase diversity, mechanism, and maturation.

    PubMed

    Peters, John W; Schut, Gerrit J; Boyd, Eric S; Mulder, David W; Shepard, Eric M; Broderick, Joan B; King, Paul W; Adams, Michael W W

    2015-06-01

    The [FeFe]- and [NiFe]-hydrogenases catalyze the formal interconversion between hydrogen and protons and electrons, possess characteristic non-protein ligands at their catalytic sites and thus share common mechanistic features. Despite the similarities between these two types of hydrogenases, they clearly have distinct evolutionary origins and likely emerged from different selective pressures. [FeFe]-hydrogenases are widely distributed in fermentative anaerobic microorganisms and likely evolved under selective pressure to couple hydrogen production to the recycling of electron carriers that accumulate during anaerobic metabolism. In contrast, many [NiFe]-hydrogenases catalyze hydrogen oxidation as part of energy metabolism and were likely key enzymes in early life and arguably represent the predecessors of modern respiratory metabolism. Although the reversible combination of protons and electrons to generate hydrogen gas is the simplest of chemical reactions, the [FeFe]- and [NiFe]-hydrogenases have distinct mechanisms and differ in the fundamental chemistry associated with proton transfer and control of electron flow that also help to define catalytic bias. A unifying feature of these enzymes is that hydrogen activation itself has been restricted to one solution involving diatomic ligands (carbon monoxide and cyanide) bound to an Fe ion. On the other hand, and quite remarkably, the biosynthetic mechanisms to produce these ligands are exclusive to each type of enzyme. Furthermore, these mechanisms represent two independent solutions to the formation of complex bioinorganic active sites for catalyzing the simplest of chemical reactions, reversible hydrogen oxidation. As such, the [FeFe]- and [NiFe]-hydrogenases are arguably the most profound case of convergent evolution. This article is part of a Special Issue entitled: Fe/S proteins: Analysis, structure, function, biogenesis and diseases. PMID:25461840

  9. Structural and physical properties of the ferromagnetic tris-dithiooxalato compounds, A[M(II)Cr(III)(C(2)S(2)O(2))(3)], with A(+) = N(n-C(n)()H(2)(n)(+1))(4)(+) (n = 3-5) and P(C(6)H(5))(4)(+) and M(II) = Mn, Fe, Co, and Ni.

    PubMed

    Bradley, Justin M; Carling, Simon G; Visser, Dirk; Day, Peter; Hautot, Dimitri; Long, Gary J

    2003-02-24

    The structural and magnetic properties of the tris-dithiooxalato salts, A[M(II)Cr(C(2)S(2)O(2))(3)], have been investigated with A(+) = PPh(4)(+), N(n-C(n)()H(2)(n)()(+1))(4)(+), with n = 3-5, where M(II) is Mn, Fe, Co, and Ni. With the exception of A[MnCr(C(2)S(2)O(2))(3)], all the salts are ferromagnets with Curie temperatures, T(c), between 5 and 16 K. In contrast to the corresponding oxalates which are ferromagnetic, the A[MnCr(C(2)S(2)O(2))(3)] compounds are paramagnetic above 2 K. Powder neutron diffraction studies of d(20)-PPh(4)[FeCr(C(2)S(2)O(2))(3)] indicate that no structural phase transitions occur between 2.4 and 285 K and that the coefficient of linear expansion is four times larger for the c-axis than for the a-axis. The crystal structure refined from powder neutron diffraction data confirms the honeycomb layer arrangement observed in the related bimetallic tris-oxalate salts. The Mössbauer spectra reveal that the iron(II) in PPh(4)[FeCr(C(2)S(2)O(2))(3)] is coordinated mainly to six oxygen atoms of the dithiooxalato ligand but with a minor component of sulfur coordination that increases with aging of the sample; the iron(II) is high-spin in both cases. Powder neutron diffraction profiles of d(20)-PPh(4)[FeCr(C(2)S(2)O(2))(3)] below T(c) show magnetic intensity with a q = 0 propagation vector, confirming the presence of ferromagnetic order. PMID:12588130

  10. The Effect of Metal Composition on Fe-Ni Partition Behavior between Olivine and FeNi-Metal, FeNi-Carbide, FeNi-Sulfide at Elevated Pressure

    NASA Technical Reports Server (NTRS)

    Holzheid, Astrid; Grove, Timothy L.

    2005-01-01

    Metal-olivine Fe-Ni exchange distribution coefficients were determined at 1500 C over the pressure range of 1 to 9 GPa for solid and liquid alloy compositions. The metal alloy composition was varied with respect to the Fe/Ni ratio and the amount of dissolved carbon and sulfur. The Fe/Ni ratio of the metal phase exercises an important control on the abundance of Ni in the olivine. The Ni abundance in the olivine decreases as the Fe/Ni ratio of the coexisting metal increases. The presence of carbon (up to approx. 3.5 wt.%) and sulfur (up to approx. 7.5 wt.%) in solution in the liquid Fe-Ni-metal phase has a minor effect on the partitioning of Fe and Ni between metal and olivine phases. No pressure dependence of the Fe-Ni-metal-olivine exchange behavior in carbon- and sulfur-free and carbon- and sulfur-containing systems was found within the investigated pressure range. To match the Ni abundance in terrestrial mantle olivine, assuming an equilibrium metal-olivine distribution, a sub-chondritic Fe/Ni-metal ratio that is a factor of 17 to 27 lower than the Fe/Ni ratios in estimated Earth core compositions would be required, implying higher Fe concentrations in the core forming metal phase. A simple metal-olivine equilibrium distribution does not seem to be feasible to explain the Ni abundances in the Earth's mantle. An equilibrium between metal and olivine does not exercise a control on the problem of Ni overabundance in the Earth's mantle. The experimental results do not contradict the presence of a magma ocean at the time of terrestrial core formation, if olivine was present in only minor amounts at the time of metal segregation.

  11. Magnetic interactions in BiFe0.5Mn0.5O3 films and BiFeO3/BiMnO3 superlattices

    PubMed Central

    Xu, Qingyu; Sheng, Yan; Khalid, M.; Cao, Yanqiang; Wang, Yutian; Qiu, Xiangbiao; Zhang, Wen; He, Maocheng; Wang, Shuangbao; Zhou, Shengqiang; Li, Qi; Wu, Di; Zhai, Ya; Liu, Wenqing; Wang, Peng; Xu, Y. B.; Du, Jun

    2015-01-01

    The clear understanding of exchange interactions between magnetic ions in substituted BiFeO3 is the prerequisite for the comprehensive studies on magnetic properties. BiFe0.5Mn0.5O3 films and BiFeO3/BiMnO3 superlattices have been fabricated by pulsed laser deposition on (001) SrTiO3 substrates. Using piezoresponse force microscopy (PFM), the ferroelectricity at room temperature has been inferred from the observation of PFM hysteresis loops and electrical writing of ferroelectric domains for both samples. Spin glass behavior has been observed in both samples by temperature dependent magnetization curves and decay of thermo-remnant magnetization with time. The magnetic ordering has been studied by X-ray magnetic circular dichroism measurements, and Fe-O-Mn interaction has been confirmed to be antiferromagnetic (AF). The observed spin glass in BiFe0.5Mn0.5O3 films has been attributed to cluster spin glass due to Mn-rich ferromagnetic (FM) clusters in AF matrix, while spin glass in BiFeO3/BiMnO3 superlattices is due to competition between AF Fe-O-Fe, AF Fe-O-Mn and FM Mn-O-Mn interactions in the well ordered square lattice with two Fe ions in BiFeO3 layer and two Mn ions in BiMnO3 layer at interfaces. PMID:25766744

  12. Research on pulse electrodeposition of Fe-Ni alloy

    SciTech Connect

    Peng, Yongsen; Zhu, Zengwei Ren, Jianhua; Chen, Jiangbo; Han, Taojie

    2014-03-15

    Fe-Ni alloys were fabricated on steel substrates by means of pulse electrodeposition in sulfate solutions. The layers were electrodeposited using different peak current densities, duty cycles and frequencies. Fe contents, microhardnesses and crystalline phases were examined systematically. The Fe content in the deposit decreased and the microhardness increased with increasing duty cycle and peak current density. The pulse frequency had little effect on Fe content but led to a slight decrease in microhardness. X-ray diffraction patterns show that the crystalline phases vary with changes in peak current density and duty cycle but are barely influenced by frequency. When the peak current density or duty cycle is relatively low, crystalline Fe-Ni alloy and pure Fe phases coexist; the pure Fe phases disappear as the peak current density or duty cycle increases. At still larger peak current densities or duty cycles, crystalline Fe-Ni alloy and pure Ni phases coexist.

  13. Microstructural Development and Ternary Interdiffusion in Ni-Mn-Ga Alloys

    NASA Astrophysics Data System (ADS)

    Zhou, Le; Kammerer, Catherine; Giri, Anit; Cho, Kyu; Sohn, Yongho

    2015-12-01

    NiMnGa alloys functioning as either ferromagnetic shape memory alloys or magnetocaloric materials have both practical applications and fundamental research value. In this study, solid-to-solid diffusion couple experiments were carried out to investigate the phase equilibria, microstructural development, and interdiffusion behavior in Ni-Mn-Ga ternary alloys. Selected diffusion couples between pure Ni, Ni25Mn75 and four ternary off-stoichiometric NiMnGa alloys ( i.e., Ni52Mn18Ga30, Ni46Mn30Ga24, Ni52Mn30Ga18, Ni58Mn18Ga24) were assembled and annealed at 1073 K, 1123 K, and 1173 K (800 °C, 850 °C, and 900 °C) for 480, 240, and 120 hours, respectively. At these high temperatures, the β NiMnGa phase has a B2 crystal structure. The microstructure of the interdiffusion zone was examined by scanning electron microscopy and transmission electron microscopy. Concentration profiles across the interdiffusion zone were determined by electron probe micro analysis. Solubility values obtained for various phases were mostly consistent with the existing isothermal phase diagrams, but the phase boundary of the γ(Mn) + β two-phase region was slightly modified. In addition, equilibrium compositions for the γ(Ni) and α' phases at 1173 K (900 °C) were also determined for the respective two-phase region. Both austenitic and martensitic phases were found at room temperature in each diffusion couple with a clear boundary. The compositions at the interfaces corresponded close to valence electron concentration (e/a) of 7.6, but trended to lower values when Mn increased to more than 35 at. pct. Average effective interdiffusion coefficients for the β phase over different compositional ranges were determined and reported in the light of temperature-dependence. Ternary interdiffusion coefficients were also determined and examined to assess the ternary diffusional interactions among Ni, Mn, and Ga. Ni was observed to interdiffuse the fastest, followed by Mn then Ga. Interdiffusion flux

  14. Ferrous Carbonyl Dithiolates as Precursors to FeFe, FeCo, and FeMn Carbonyl Dithiolates

    PubMed Central

    2015-01-01

    Reported are complexes of the formula Fe(dithiolate)(CO)2(diphos) and their use to prepare homo- and heterobimetallic dithiolato derivatives. The starting iron dithiolates were prepared by a one-pot reaction of FeCl2 and CO with chelating diphosphines and dithiolates, where dithiolate = S2(CH2)22– (edt2–), S2(CH2)32– (pdt2–), S2(CH2)2(C(CH3)2)2– (Me2pdt2–) and diphos = cis-C2H2(PPh2)2 (dppv), C2H4(PPh2)2 (dppe), C6H4(PPh2)2 (dppbz), C2H4[P(C6H11)2]2 (dcpe). The incorporation of 57Fe into such building block complexes commenced with the conversion of 57Fe into 57Fe2I4(iPrOH)4, which then was treated with K2pdt, CO, and dppe to give 57Fe(pdt)(CO)2(dppe). NMR and IR analyses show that these complexes exist as mixtures of all-cis and trans-CO isomers, edt2– favoring the former and pdt2– the latter. Treatment of Fe(dithiolate)(CO)2(diphos) with the Fe(0) reagent (benzylideneacetone)Fe(CO)3 gave Fe2(dithiolate)(CO)4(diphos), thereby defining a route from simple ferrous salts to models for hydrogenase active sites. Extending the building block route to heterobimetallic complexes, treatment of Fe(pdt)(CO)2(dppe) with [(acenaphthene)Mn(CO)3]+ gave [(CO)3Mn(pdt)Fe(CO)2(dppe)]+ ([3d(CO)]+). Reduction of [3d(CO)]+ with BH4– gave the Cs-symmetric μ-hydride (CO)3Mn(pdt)(H)Fe(CO)(dppe) (H3d). Complex H3d is reversibly protonated by strong acids, the proposed site of protonation being sulfur. Treatment of Fe(dithiolate)(CO)2(diphos) with CpCoI2(CO) followed by reduction by Cp2Co affords CpCo(dithiolate)Fe(CO)(diphos) (4), which can also be prepared from Fe(dithiolate)(CO)2(diphos) and CpCo(CO)2. Like the electronically related (CO)3Fe(pdt)Fe(CO)(diphos), these complexes undergo protonation to afford the μ-hydrido complexes [CpCo(dithiolate)HFe(CO)(diphos)]+. Low-temperature NMR studies indicate that Co is the kinetic site of protonation. PMID:24803716

  15. Discussion on the Alloying Element Partition and Growth Kinetics of Proeutectoid Ferrite in Fe-C-Mn-X Alloys

    NASA Astrophysics Data System (ADS)

    Wei, R.; Enomoto, M.

    2011-12-01

    Experimental data on alloying element partition and growth kinetics of proeutectoid ferrite in quaternary Fe-C-Mn-Si, Ni, and Co alloys were reanalyzed using an approximate method, which permits a quick evaluation of alloy partitioning to be made. The method yielded results in good agreement with DICTRA and is applicable to Fe-C base multicomponent alloys. Differences of the predicted local condition at the α/ γ boundary from those previously presented in the alloys are noted.

  16. Exchange bias magnetism in films of NiFe/(Ni,Fe)O nanocrystallite dispersions

    SciTech Connect

    Hsiao, C.-H.; Chi, C.-C.; Wang, S.; Ouyang, H.; Desautels, R. D.; Lierop, J. van; Lin, K.-W.; Lin, T.-L.

    2014-05-07

    Ni{sub 3}Fe/(Ni,Fe)O thin films having a nanocrystallite dispersion morphology were prepared by a reactive ion beam-assisted deposition technique. The crystallite sizes of these dispersion-based films were observed to decrease from 8.4 ± 0.3 nm to 3.4 ± 0.3 nm as the deposition flow-rate increased from 2.78% to 7.89% O{sub 2}/Ar. Thin film composition was determined using selective area electron diffraction images and Multislice simulations. Through a detailed analysis of high resolution transmission electron microscopy images, the nanocrystallites were determined to be Ni{sub 3}Fe (a ferromagnet), NiO, and FeO (both antiferromagnets). It was determined that the interfacial molar Ni{sub 3}Fe ratio in the nanocrystallite dispersions increased slightly at first, then decreased as the oxygen content was increased; at 7.89% O{sub 2}/Ar, the interfacial molar ratio was essentially zero (only NiO and FeO remained). For nanocrystallite dispersion films grown with O{sub 2}/Ar flow-rate greater than 7.89%, no interfacial (intermixed) Ni{sub 3}Fe phase was detected, which resulted in no measurable exchange bias. Comparing the exchange bias field between the nanocrystallite dispersion films at 5 K, we observed a decrease in the magnitude of the exchange bias field as the nanocrystallite size decreased. The exchange bias coupling for all samples measured set in at essentially the same temperature (i.e., the exchange bias blocking temperature). Since the ferromagnetic/anti-ferromagnetic (FM/AFM) contact area in the nanocrystallite dispersion films increased as the nanocrystallite size decreased, the increase in the magnitude of the exchange bias could be attributed to larger regions of defects (vacancies and bond distortions) which occupied a significant portion of the FM/AFM interfaces in the nanocrystallite dispersion films.

  17. Structure and magnetism of FeMnO3

    NASA Astrophysics Data System (ADS)

    Rayaprol, S.; Kaushik, S. D.; Babu, P. D.; Siruguri, V.

    2013-02-01

    The compound FeMnO3 crystallizing in the mineral bixbyite structure has been prepared by mechanochemical synthesis achieved by high energy ball milling of starting compounds. The structure and magnetism have been studied using powder neutron diffraction and magnetization measurements. Magnetization measurements exhibits ferrimagnetism at 300 K and antiferromagnetic (TN) ordering around 36 K. Magnetic structure has been determined from the Rietveld analysis of the neutron diffraction pattern recorded at 300 K. Fe and Mn occupy both 8b and 24d sites in 1:1 ratio. Interaction between Fe and Mn atoms is antiferromagnetic. The ferrimagnetism arises due to anti-parallel alignment of unequal moments on 8b and 24d sites.

  18. Magneto Caloric Effect in Ni-Mn-Ga alloys: First Principles and Experimental studies

    NASA Astrophysics Data System (ADS)

    Odbadrakh, Khorgolkhuu; Nicholson, Don; Brown, Gregory; Rusanu, Aurelian; Rios, Orlando; Hodges, Jason; Safa-Sefat, Athena; Ludtka, Gerard; Eisenbach, Markus; Evans, Boyd

    2012-02-01

    Understanding the Magneto-Caloric Effect (MCE) in alloys with real technological potential is important to the development of viable MCE based products. We report results of computational and experimental investigation of a candidate MCE materials Ni-Mn-Ga alloys. The Wang-Landau statistical method is used in tandem with Locally Self-consistent Multiple Scattering (LSMS) method to explore magnetic states of the system. A classical Heisenberg Hamiltonian is parametrized based on these states and used in obtaining the density of magnetic states. The Currie temperature, isothermal entropy change, and adiabatic temperature change are then calculated from the density of states. Experiments to observe the structural and magnetic phase transformations were performed at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory (ORNL) on alloys of Ni-Mn-Ga and Fe-Ni-Mn-Ga-Cu. Data from the observations are discussed in comparison with the computational studies. This work was sponsored by the Laboratory Directed Research and Development Program (ORNL), by the Mathematical, Information, and Computational Sciences Division; Office of Advanced Scientific Computing Research (US DOE), and by the Materials Sciences and Engineering Division; Office of Basic Energy Sciences (US DOE).

  19. Study of intergranular embrittlement in Fe-12Mn alloys

    SciTech Connect

    Lee, H.J.

    1982-06-01

    A high resolution scanning Auger microscopic study has been performed on the intergranular fracture surfaces of Fe-12Mn steels in the as-austenitized condition. Fracture mode below the ductile-brittle transition temperature was intergranular whenever the alloy was quenched from the austenite field. The intergranular fracture surface failed to reveal any consistent segregation of P, S, As, O, or N. The occasional appearance of S or O on the fracture surface was found to be due to a low density precipitation of MnS and MnO/sub 2/ along the prior austenite boundaries. An AES study with Ar/sup +/ ion-sputtering showed no evidence of manganese enrichment along the prior austenite boundaries, but a slight segregation of carbon which does not appear to be implicated in the tendency toward intergranular fracture. Addition of 0.002% B with a 1000/sup 0/C/1h/WQ treatment yielded a high Charpy impact energy at liquid nitrogen temperature, preventing the intergranular fracture. High resolution AES studies showed that 3 at. % B on the prior austenite grain boundaries is most effective in increasing the grain boundary cohesive strength in an Fe-12Mn alloy. Trace additions of Mg, Zr, or V had negligible effects on the intergranular embrittlement. A 450/sup 0/C temper of the boron-modified alloys was found to cause tempered martensite embrittlement, leading to intergranular fracture. The embrittling treatment of the Fe-12Mn alloys with and without boron additions raised the ductile-brittle transition by 150/sup 0/C. This tempered martensite embrittlement was found to be due to the Mn enrichment of the fracture surface to 32 at. % Mn in the boron-modified alloy and 38 at. % Mn in the unmodified alloy. The Mn-enriched region along the prior austenite grain boundaries upon further tempering is believed to cause nucleation of austenite and to change the chemistry of the intergranular fracture surfaces. 61 figures.

  20. Giant exchange bias in Mn2FeGa with hexagonal structure

    NASA Astrophysics Data System (ADS)

    Liu, Z. H.; Zhang, Y. J.; Zhang, H. G.; Zhang, X. J.; Ma, X. Q.

    2016-07-01

    In this study, we present the experimental observation that polycrystalline Mn2+xFe1-xGa (x = -0.2, 0, 0.2, 0.4) compounds can be synthesized to be D019-type (Ni3Sn-type) hexagonal structure with space group P63/mmc. A giant exchange bias field up to 1.32 kOe was achieved in hexagonal Mn2FeGa alloy at 5 K. A cluster glass state is confirmed by ac susceptibility measurement under different driving frequencies. Interestingly, robust horizontal and vertical shifts in magnetic hysteresis loop were simultaneously observed at 5 K under high cooling field up to 90 kOe. The large exchange bias is originated from the large exchange anisotropy between cluster glass phase and ferrimagnetic matrix. The vertical shift is thought to be attributed to the incomplete reversal of frozen cluster spins.

  1. Effect of doping and elastic properties in (Mn,Fe ) 2(Si ,P )

    NASA Astrophysics Data System (ADS)

    Roy, P.; Torun, E.; de Groot, R. A.

    2016-03-01

    Mixed magnetism (the coexistence of strong and weak magnetism in one material) is regarded as the origin of the giant magnetocaloric effect (GMCE). A good example is (Mn,Fe ) 2(Si ,P ), which is established as one of the best magnetocaloric materials available. Tuning the material properties are essential for optimizing its performance, and a straightforward way to do that is by doping. In this article, an ab initio electronic structure method was used to calculate the structure and magnetic properties of 3 d -transition-metal-doped (Mn,Fe ) 2(Si ,P ) materials for magnetocaloric applications (transition metals are Cr, Co, Mn, Ni, Cu). For a steady performance, the material should be mechanically stable. A detailed analysis of the elastic constants shows that the mechanical stability of the (Mn,Fe ) 2(Si ,P ) system increases significantly by doping with boron without affecting the magnetic properties. Insights of the influence of doping enable future studies to understand and predict better magnetocaloric materials.

  2. Rapidly solidified NiAl and FeAl

    NASA Technical Reports Server (NTRS)

    Gaydosh, D. J.; Crimp, M. A.

    1984-01-01

    Melt spinning was used to produce rapidly solidified ribbons of the B2 intermetallics NiAl and FeAl. Both Fe-40Al and Fe-45Al possessed some bend ductility in the as spun condition. The bend ductility of Fe-40Al, Fe-45Al, and equiatomic NiAl increased with subsequent heat treatment. Heat treatment at approximately 0.85 T (sub m) resulted in significant grain growth in equiatomic FeAl and in all the NiAl compositions. Low bend ductility in both FeAl and NiAl generally coincided with intergranular failure, while increased bend ductility was characterized by increasing amounts of transgranular cleavage fracture.

  3. Magnetodielectric effect in Bi2NiMnO6-La2NiMnO6 superlattices

    NASA Astrophysics Data System (ADS)

    Padhan, P.; LeClair, P.; Gupta, A.; Subramanian, M. A.; Srinivasan, G.

    2009-07-01

    Multilayer superlattices consisting of multiferroic Bi2NiMnO6 (BNMO) and La2NiMnO6 (LNMO) have been grown heteroepitaxially on pure and Nb-doped SrTiO3 substrates using the pulsed laser deposition technique. In a series of superlattice structures grown with a fixed BNMO layer thickness of ten unit cells, we find that the c-axis lattice parameter, Curie temperature and magnetocapacitance are strongly dependent upon the number of stacked LNMO unit cells in the repeating units. The thickness-dependent magnetodielectric effect is attributed to the fluctuations in electric and magnetic dipole ordering due to the substrate and interface induced stress in the superlattice structures. An enhanced magnetodielectric effect in multilayers with LNMO thicknesses larger than six unit cells is explained based on possible canting of spin at the interfaces of LNMO and BNMO.

  4. Electrical conduction, dielectric behavior and magnetoelectric effect in (x)BaTiO{sub 3} + (1 - x)Ni{sub 0.94}Co{sub 0.01}Mn{sub 0.05}Fe{sub 2}O{sub 4} ME composites

    SciTech Connect

    Lokare, S.A.; Patil, D.R.; Devan, R.S.; Chougule, S.S.; Kolekar, Y.D.; Chougule, B.K.

    2008-02-05

    Electrical and magnetoelectric properties of magnetoelectric (ME) composites containing barium titanate as electrical component and a mixed Ni-Co-Mn ferrite as the magnetic component are reported. The ME composites with a general formula (x)BaTiO{sub 3} + (1 - x)Ni{sub 0.94}Co{sub 0.01}Mn{sub 0.05}Fe{sub 2}O{sub 4} where x varies as 0, 0.55, 0.70, 0.85 and 1 were prepared by standard double sintering ceramic method. The presence of both the phases was confirmed by X-ray diffraction technique. The dc resistivity was measured as a function of temperature. The variation of dielectric constant ({epsilon}) and loss tangent (tan {delta}) with frequency (100 Hz-1 MHz) and with temperature was studied. The conduction is explained on the basis of small polaron model based on ac conductivity measurements. The static value of ME conversion factor i.e. dc (ME){sub H} was studied as function of intensity of magnetic field. The changes were observed in dielectric properties as well as ME effect as the molar ratio of the components was varied. A maximum value of ME conversion factor of 610 {mu}V/cm Oe was observed in the case of a composite containing 15 mol% ferrite phase.

  5. A comparative study of magnetic behaviors in TbNi{sub 2}, TbMn{sub 2} and TbNi{sub 2}Mn

    SciTech Connect

    Wang, J. L.; Md Din, M. F.; Hong, F.; Cheng, Z. X.; Dou, S. X.; Kennedy, S. J.; Studer, A. J.; Campbell, S. J.; Wu, G. H.

    2014-05-07

    All TbNi{sub 2}, TbMn{sub 2}, and TbNi{sub 2}Mn compounds exhibit the cubic Laves phase with AB{sub 2}-type structure in spite of the fact that the ratio of the Tb to transition-metal components in TbNi{sub 2}Mn is 1:3. Rietveld refinement indicates that in TbNi{sub 2}Mn the Mn atoms are distributed on both the A (8a) and B (16d) sites. The values of the lattice constants were measured to be a = 14.348 Å (space group F-43 m), 7.618 Å, and 7.158 Å (space group Fd-3 m) for TbNi{sub 2}, TbMn{sub 2}, and TbNi{sub 2}Mn, respectively. The magnetic transition temperatures T{sub C} were found to be T{sub C} = 38 K and T{sub C} = 148 K for TbNi{sub 2} and TbNi{sub 2}Mn, respectively, while two magnetic phase transitions are detected for TbMn{sub 2} at T{sub 1} = 20 K and T{sub 2} = 49 K. Clear magnetic history effects in a low magnetic field are observed in TbMn{sub 2} and TbNi{sub 2}Mn. The magnetic entropy changes have been obtained.

  6. Self-current induced spin-orbit torque in FeMn/Pt multilayers

    PubMed Central

    Xu, Yanjun; Yang, Yumeng; Yao, Kui; Xu, Baoxi; Wu, Yihong

    2016-01-01

    Extensive efforts have been devoted to the study of spin-orbit torque in ferromagnetic metal/heavy metal bilayers and exploitation of it for magnetization switching using an in-plane current. As the spin-orbit torque is inversely proportional to the thickness of the ferromagnetic layer, sizable effect has only been realized in bilayers with an ultrathin ferromagnetic layer. Here we demonstrate that, by stacking ultrathin Pt and FeMn alternately, both ferromagnetic properties and current induced spin-orbit torque can be achieved in FeMn/Pt multilayers without any constraint on its total thickness. The critical behavior of these multilayers follows closely three-dimensional Heisenberg model with a finite Curie temperature distribution. The spin torque effective field is about 4 times larger than that of NiFe/Pt bilayer with a same equivalent NiFe thickness. The self-current generated spin torque is able to switch the magnetization reversibly without the need for an external field or a thick heavy metal layer. The removal of both thickness constraint and necessity of using an adjacent heavy metal layer opens new possibilities for exploiting spin-orbit torque for practical applications. PMID:27185656

  7. Self-current induced spin-orbit torque in FeMn/Pt multilayers.

    PubMed

    Xu, Yanjun; Yang, Yumeng; Yao, Kui; Xu, Baoxi; Wu, Yihong

    2016-01-01

    Extensive efforts have been devoted to the study of spin-orbit torque in ferromagnetic metal/heavy metal bilayers and exploitation of it for magnetization switching using an in-plane current. As the spin-orbit torque is inversely proportional to the thickness of the ferromagnetic layer, sizable effect has only been realized in bilayers with an ultrathin ferromagnetic layer. Here we demonstrate that, by stacking ultrathin Pt and FeMn alternately, both ferromagnetic properties and current induced spin-orbit torque can be achieved in FeMn/Pt multilayers without any constraint on its total thickness. The critical behavior of these multilayers follows closely three-dimensional Heisenberg model with a finite Curie temperature distribution. The spin torque effective field is about 4 times larger than that of NiFe/Pt bilayer with a same equivalent NiFe thickness. The self-current generated spin torque is able to switch the magnetization reversibly without the need for an external field or a thick heavy metal layer. The removal of both thickness constraint and necessity of using an adjacent heavy metal layer opens new possibilities for exploiting spin-orbit torque for practical applications. PMID:27185656

  8. Low temperature diffusion coefficients in the Fe-Ni and FeNiP systems: Application to meteorite cooling rates

    NASA Technical Reports Server (NTRS)

    Dean, D. C.; Goldstein, J. I.

    1984-01-01

    The interdiffusion coefficient of FeNi in fcc taenite (gamma) of Fe-Ni and Fe-Ni-0.2 P alloys was measured as a function of temperature between 600 and 900 C. This temperature range is directly applicable to the nucleation and growth of the Widmanstatten pattern in iron meteorites and metal regions of stony and stony-iron meteorites. Diffusion couples were made from FeNi or FeNiP alloys which ensured that the couples were in the taenite phase at the diffusion temperature. The presence or absence of grain boundary diffusion was determined by measuring the Ni profile normal to the existing grain boundaries with the AEM. Ignoring any variation of interdiffusion coefficient with composition, the measured data was plotted versus the reciprocal of the diffusion temperature. The FeNi data generally follow the extrapolated Goldstein, et al. (1965) data from high temperatures. The FeNiP data indicates that small additions of P (0.2 wt%) cause a 3 to 10 fold increase in the FeNi interdifussion coefficient increasing with decreasing temperature. This increase is about the same as that predicted by Narayan and Goldstein (1983) at the Widmanstatten growth temperature.

  9. Effect of on-site Coulomb interaction (U) on the electronic and magnetic properties of Fe2MnSi, Fe2MnAl and Co2MnGe

    NASA Astrophysics Data System (ADS)

    Sharma, Sonu; Pandey, Sudhir K.

    2016-04-01

    The electronic band structures, density of states' plots and magnetic moments of Fe2MnSi, Fe2MnAl, and Co2MnGe are studied by using the first principles calculation. The FM solutions using LSDA without U show the presence of half-metallic ferromagnetic (HFM) ground state in Fe2MnSi, whereas the ground state of Fe2MnAl is found to be metallic. In both compounds the maximum contribution to the total magnetic moment is from the Mn atom, while the Fe atom contributes very less. The electronic structures and magnetic moments of Fe-based compounds are affected significantly by U under around-the-mean-field (AMF) double counting scheme, whereas its effect is very less on Co2MnGe. The magnetic moment of Fe atom in Fe2MnSi (Fe2MnAl) increased by ∼70% (∼75%) and in Mn atom it decreases by ∼50% (∼70%) when the value of U is increased from 1 to 5 eV. Hund's like exchange interactions are increasing in Fe atom while decreasing in Mn atom with increase in U. The Fe and Mn moments are ferromagnetically coupled in Fe2MnSi for all values of U, whereas in Fe2MnAl they are coupled antiferromagnetically below U=2 eV and ferromagnetically above it. Above U=2 eV the metallic ground state of Fe2MnAl changes to semiconducting ground state and the ferromagnetic coupling between Fe and Mn atoms appears to be responsible for this. This shows that the validity of AFM double counting scheme is not robust for the entire range of U in the Fe2MnAl compound.

  10. Substrate dependent ultrafast dynamics in thin NiFe films

    NASA Astrophysics Data System (ADS)

    Bosco, C. A. C.; Azevedo, A.; Acioli, L. H.

    2003-09-01

    We have studied the ultrafast electronic response of thin NiFe films by femtosecond transient reflectivity measurements. The experiments were performed on films with varying thicknesses, substrates, and pump fluences. It has been observed that for high excitation densities the electron cooling time depends strongly on the nature of the underlying substrate and we attribute our results to transport of hot carriers out of the excited region. In particular, we have observed that for NiFe over NiO, carrier transport should be less important than for NiFe over Si.

  11. Model study of CO inhibition of [NiFe]hydrogenase.

    PubMed

    Matsumoto, Takahiro; Kabe, Ryota; Nonaka, Kyoshiro; Ando, Tatsuya; Yoon, Ki-Seok; Nakai, Hidetaka; Ogo, Seiji

    2011-09-19

    We propose a modified mechanism for the inhibition of [NiFe]hydrogenase ([NiFe]H(2)ase) by CO. We present a model study, using a NiRu H(2)ase mimic, that demonstrates that (i) CO completely inhibits the catalytic cycle of the model compound, (ii) CO prefers to coordinate to the Ru(II) center rather than taking an axial position on the Ni(II) center, and (iii) CO is unable to displace a hydrido ligand from the NiRu center. We combine these studies with a reevaluation of previous studies to propose that, under normal circumstances, CO inhibits [NiFe]H(2)ase by complexing to the Fe(II) center. PMID:21853978

  12. Synthesis, Characterization, Spectral Studies and Antifungal Activity of Mn(II), Fe(II), Co(II), Ni(II), Cu(II) and Zn(II) Complexes with 2-(4- Sulphophenylazo)-1,8-Dihydroxy-3,6-Napthalene Disulphonic Acid Trisodium Salt

    PubMed Central

    Pandey, Gajanan; Narang, K. K.

    2005-01-01

    Complexes of the type Na6[M(HL)2(H2O)2], where M= Mn(II), Fe(II), Co(II), Ni(II), Cu(II) and Zn(II) and Na3H2L= 2-(4-sulphophenylazo)-1,8-dihydroxy 3,6 naphthalene disulphonic acid trisodium salt, have been synthesized and characterized by physico-chemical (elemental analyses, solubility, electrolytic conductance, magnetic susceptibility measurement) and spectral (UV-Visible, IR, ESR, powder x-ray diffraction) techniques for their structure and studied for their antifungal activity against ten fungi. The anionic 1:2 metal:ligand complexes show octahedral geometry around M(II), a significant antifungal activity against Curvularia lunata and Alternaria triticina and a moderate activity against Alternaria brassicicola, Alternaria brassicae, Alternaria solanae, Curvularia species, Helminthosporium oryzae, Collectotrichum capsici, Aspergillus niger, Aspergillus flavus and Fusarium udum. PMID:18365101

  13. CASSCF/CI calculations for first row transition metal hydrides - The TiH(4-phi), VH(5-delta), CrH(6-sigma-plus), MnH(7-sigma-plus), FeH(4,6-delta) and NiH(2-delta) states

    NASA Technical Reports Server (NTRS)

    Walch, S. P.; Bauschlicher, C. W., Jr.

    1983-01-01

    Calculations are performed for the predicted ground states of TiH(4-phi), VH(5-delta), CrH(6-sigma-plus), MnH(7-sigma-plus), Fett(4,6-delta) and NiH(2-delta). For FeH both the 6-delta and 4-delta states are studied, since both are likely candidates for the ground state. The ground state symmetries are predicted based on a combination of atomic coupling arguments and coupling of 4s(2)3d(n) and 4s(1)3d(n+1) terms in the molecular system. Electron correlation is included by a CASSCF/CI (SD) treatment. The CASSCF includes near-degeneracy effects, while correlation of the 3d electrons in included at the CI level.

  14. Sound velocity and elastic properties of Fe-Ni and Fe-Ni-C liquids at high pressure

    NASA Astrophysics Data System (ADS)

    Kuwabara, Soma; Terasaki, Hidenori; Nishida, Keisuke; Shimoyama, Yuta; Takubo, Yusaku; Higo, Yuji; Shibazaki, Yuki; Urakawa, Satoru; Uesugi, Kentaro; Takeuchi, Akihisa; Kondo, Tadashi

    2016-03-01

    The sound velocity ( V P) of liquid Fe-10 wt% Ni and Fe-10 wt% Ni-4 wt% C up to 6.6 GPa was studied using the ultrasonic pulse-echo method combined with synchrotron X-ray techniques. The obtained V P of liquid Fe-Ni is insensitive to temperature, whereas that of liquid Fe-Ni-C tends to decrease with increasing temperature. The V P values of both liquid Fe-Ni and Fe-Ni-C increase with pressure. Alloying with 10 wt% of Ni slightly reduces the V P of liquid Fe, whereas alloying with C is likely to increase the V P. However, a difference in V P between liquid Fe-Ni and Fe-Ni-C becomes to be smaller at higher temperature. By fitting the measured V P data with the Murnaghan equation of state, the adiabatic bulk modulus ( K S0) and its pressure derivative ( K S ' ) were obtained to be K S0 = 103 GPa and K S ' = 5.7 for liquid Fe-Ni and K S0 = 110 GPa and K S ' = 7.6 for liquid Fe-Ni-C. The calculated density of liquid Fe-Ni-C using the obtained elastic parameters was consistent with the density values measured directly using the X-ray computed tomography technique. In the relation between the density ( ρ) and sound velocity ( V P) at 5 GPa (the lunar core condition), it was found that the effect of alloying Fe with Ni was that ρ increased mildly and V P decreased, whereas the effect of C dissolution was to decrease ρ but increase V P. In contrast, alloying with S significantly reduces both ρ and V P. Therefore, the effects of light elements (C and S) and Ni on the ρ and V P of liquid Fe are quite different under the lunar core conditions, providing a clue to constrain the light element in the lunar core by comparing with lunar seismic data.

  15. Strain mediated coupling in magnetron sputtered multiferroic PZT/Ni-Mn-In/Si thin film heterostructure

    SciTech Connect

    Singh, Kirandeep; Kaur, Davinder; Singh, Sushil Kumar

    2014-09-21

    The strain mediated electrical and magnetic properties were investigated in PZT/Ni-Mn-In heterostructure deposited on Si (100) by dc/rf magnetron sputtering. X-ray diffraction pattern revealed that (220) orientation of Ni-Mn-In facilitate the (110) oriented tertragonal phase growth of PZT layer in PZT/Ni-Mn-In heterostructure. A distinctive peak in dielectric constant versus temperature plots around martensitic phase transformation temperature of Ni-Mn-In showed a strain mediated coupling between Ni-Mn-In and PZT layers. The ferroelectric measurement taken at different temperatures exhibits a well saturated and temperature dependent P-E loops with a highest value of P{sub sat}~55 μC/cm² obtained during martensite-austenite transition temperature region of Ni-Mn-In. The stress induced by Ni-Mn-In layer on upper PZT film due to structural transformation from martensite to austenite resulted in temperature modulated Tunability of PZT/Ni-Mn-In heterostructure. A tunability of 42% was achieved at 290 K (structural transition region of Ni-Mn-In) in these heterostructures. I-V measurements taken at different temperatures indicated that ohmic conduction was the main conduction mechanism over a large electric field range in these heterostructures. Magnetic measurement revealed that heterostructure was ferromagnetic at room temperature with a saturation magnetization of ~123 emu/cm³. Such multiferroic heterostructures exhibits promising applications in various microelectromechanical systems.

  16. Characterization of NiPt, FePt, and NiFePt nanoparticles

    NASA Astrophysics Data System (ADS)

    Sutherland, Greg; Wood, Darren; Jackson, Amy; Warren, Andrew; Coffey, Kevin; Vanfleet, Richard

    2012-10-01

    Many metal alloys can form in chemically ordered structures, often resulting in significant changes in properties. The ordered structures are preferred at low temperatures and will go through an order-disorder phase transition at a critical temperature. The formation and stability of these ordered structures in alloy nanoparticles is not well understood but may give insight into the role size plays in phase transitions. To this end we are studying FePt, NiPt, and FeNiPt alloy nanoparticles. We will focus this presentation on the characterization of these nanoparticles in a Transmission Electron Microscope (TEM) for composition, size, and structure. These nanoparticles are made by co-sputtering the constituents and annealing at different temperatures in various gas mixtures. The nanoparticle samples are prepared for TEM viewing by wedge polishing. We find FePt to be ``well behaved'' meaning this alloy forms particles, retains the as deposited composition, and chemically orders as expected. However, the order-disorder temperature is too high for the desired further studies. NiPt, which has a lower order-disorder temperature, is not ``well behaved'' in that the nanoparticle compositions are not good matches to the as deposited conditions and no chemical ordering has been achieved even under conditions that should be sufficient based on bulk processing. We will discuss these results and possible implications.

  17. Magnetic properties and atomic ordering of BCC Heusler alloy Fe2MnGa ribbons

    NASA Astrophysics Data System (ADS)

    Xin, Yuepeng; Ma, Yuexing; Luo, Hongzhi; Meng, Fanbin; Liu, Heyan

    2016-05-01

    The electronic structure, atomic disorder and magnetic properties of the Heusler alloy Fe2MnGa have been investigated experimentally and theoretically. BCC Fe2MnGa ribbon samples were prepared. Experimentally, a saturation magnetic moment (3.68 μB at 5 K) much larger than the theoretical value (2.04 μB) has been reported. First-principles calculations indicate that the difference is related to the Fe-Mn disorder between A, B sites, as can also be deduced from the XRD pattern. L21 type Fe2MnGa is a ferrimagnet with antiparallel Fe and Mn spin moments. However, when Fe-Mn disorder occurs, part of Mn moments will be parallel to Fe moments, and the Fe moments also clearly increase simultaneously. All this results in a total moment of 3.74 μB, close to the experimental value.

  18. Paramagnetic properties of Fe-Mn and Fe-V alloys: a DMFT study

    NASA Astrophysics Data System (ADS)

    Belozerov, Alexander S.; Anisimov, Vladimir I.

    2016-09-01

    We calculate magnetic susceptibility of paramagnetic bcc Fe-Mn and Fe-V alloys by two different approaches. The first approach employs the coherent potential approximation (CPA) combined with the dynamical mean-field theory (DMFT). The material-specific Hamiltonians in the Wannier function basis are obtained by density functional theory. In the second approach, we construct supercells modeling the binary alloys and study them using DMFT. Both approaches lead to a qualitative agreement with experimental data. In particular, the decrease of Curie temperature with Mn content and a maximum at about 10 at.% V are well described in units of the Curie temperature of pure iron. In contrast to the Mn impurities, the V ones are found to be antiferromagnetically coupled to Fe atoms. Our calculations for the two-band Anderson–Hubbard model indicate that the antiferromagnetic coupling is responsible for a maximum in the concentration dependence of Curie temperature in Fe-V alloys.

  19. Paramagnetic properties of Fe-Mn and Fe-V alloys: a DMFT study.

    PubMed

    Belozerov, Alexander S; Anisimov, Vladimir I

    2016-09-01

    We calculate magnetic susceptibility of paramagnetic bcc Fe-Mn and Fe-V alloys by two different approaches. The first approach employs the coherent potential approximation (CPA) combined with the dynamical mean-field theory (DMFT). The material-specific Hamiltonians in the Wannier function basis are obtained by density functional theory. In the second approach, we construct supercells modeling the binary alloys and study them using DMFT. Both approaches lead to a qualitative agreement with experimental data. In particular, the decrease of Curie temperature with Mn content and a maximum at about 10 at.% V are well described in units of the Curie temperature of pure iron. In contrast to the Mn impurities, the V ones are found to be antiferromagnetically coupled to Fe atoms. Our calculations for the two-band Anderson-Hubbard model indicate that the antiferromagnetic coupling is responsible for a maximum in the concentration dependence of Curie temperature in Fe-V alloys. PMID:27355416

  20. Compositional dependence of antiferromagnetic anisotropy in IrMn/CoFe exchange bias systems

    NASA Astrophysics Data System (ADS)

    Aley, N. P.; O'Grady, K.

    2011-04-01

    We report on a study of the effect of Ir content on the loop shift (HEX) and anisotropy constant (KAF) in the CoFe/IrMn system. The sample structure investigated was Si/NiCr(5 nm)/Ru(5 nm)/IrxMn1-x/CoFe(2 nm)/Ta(3 nm). All samples were produced by sputtering and the Ir and Mn levels were varied using a specially made composite target and deposited at ˜120 °C. The composition of the samples was analyzed using energy dispersive x-ray analysis. KAF was calculated from thermal activation measurements using the York Protocols. A plateau in HEX was found for Ir levels between 16- 20.5 at. %. HEX was found to decrease by 50% on either side of this window. This result is consistent with previous studies where the enhancement of HEX was attributed to an increase in the atomic ordering of the IrMn alloy. However, KAF decreases linearly with increasing Ir concentration and does not appear to correlate with the change in HEX.

  1. Surface chemistry, friction and wear of Ni-Zn and Mn-Zn ferrites in contact with metals

    NASA Technical Reports Server (NTRS)

    Miyoshi, K.; Buckley, D. H.

    1982-01-01

    X-ray photoelectron and Auger electron spectroscopy analysis were used in sliding friction experiments. These experiments were conducted with hot-pressed polycrystalline Ni-Zn and Mn-Zn ferrites, and single-crystal Mn-Zn ferrite in contact with various transition metals at room temperature in both vacuum and argon. The results indicate that Ni2O3 and Fe3O4 were present on the Ni-Zn ferrite surface in addition to the nominal bulk constituents, while MnO2 and Fe3O4 were present on the Mn-Zn ferrite surface in addition to the nominal bulk constituents. The coefficients of friction for the ferrites in contact with metals were related to the relative chemical activity of these metals. The more active the metal, the higher is the coefficient of friction. The coefficients of friction for the ferrites were correlated with the free energy of formation of the lowest metal oxide. The interfacial bond can be regarded as a chemical bond between the metal atoms and the oxygen anions in the ferrite surfaces. The adsorption of oxygen on clean metal and ferrite does strengthen the metal-ferrite contact and increase the friction. The ferrites exhibit local cracking and fracture with sliding under adhesive conditions. All the metals transferred to he surfaces of the ferrites in sliding.

  2. Microstructure of the Al-La-Ni-Fe system

    SciTech Connect

    Vasil’ev, A. L.; Ivanova, A. G.; Bakhteeva, N. D.; Kolobylina, N. N.; Orekhov, A. S.; Presnyakov, M. Yu.; Todorova, E. V.

    2015-01-15

    The microstructure of alloys based on the Al-La-Ni-Fe system, which are characterized by a unique ability to form metal glasses and nanoscale composites in a wide range of compositions, has been investigated. Al{sub 85}Ni{sub 7}Fe{sub 4}La{sub 4} and Al{sub 85}Ni{sub 9}Fe{sub 2}La{sub 4} alloys have been analyzed by electron microscopy (including high-resolution scanning transmission electron microscopy), energy-dispersive X-ray microanalysis, electron diffraction (ED), and X-ray diffraction (XRD). It is found that, along with fcc Al and Al{sub 4}La (Al{sub 11}La{sub 3}) particles, these alloys contain a ternary phase Al{sub 3}Ni{sub 1−x}Fe{sub x} (sp. gr. Pnma) isostructural to the Al{sub 3}Ni phase and a quaternary phase Al{sub 8}Fe{sub 2−x}Ni{sub x}La isostructural to the Al{sub 8}Fe{sub 2}Eu phase (sp. gr. Pbam). The unit-cell parameters of the Al{sub 3}Ni{sub 1−x}Fe{sub x} and Al{sub 8}Fe{sub 2−x}Ni{sub x}La compounds, determined by ED and refined by XRD, are a = 0.664(1) nm, b = 0.734(1) nm, and c = 0.490(1) nm for Al{sub 3}Ni{sub 1−x}Fe{sub x} and a = 1.258(3) nm, b = 1.448(3) nm, and c = 0.405(8) nm for Al{sub 8}Fe{sub 2−x}Ni{sub x}La. In both cases Ni and Fe atoms are statistically arranged, and no ordering is found. Al{sub 8}Fe{sub 2−x}Ni{sub x}La particles contain inclusions in the form of Al{sub 3}Fe δ layers.

  3. Ni doped Fe3O4 magnetic nanoparticles.

    PubMed

    Larumbe, S; Gómez-Polo, C; Pérez-Landazábal, J I; García-Prieto, A; Alonso, J; Fdez-Gubieda, M L; Cordero, D; Gómez, J

    2012-03-01

    In this work, the effect of nickel doping on the structural and magnetic properties of Fe3O4 nanoparticles is analysed. Ni(x)Fe(3-x)O4 nanoparticles (x = 0, 0.04, 0.06 and 0.11) were obtained by chemical co-precipitation method, starting from a mixture of FeCl2 x 4H2O and Ni(AcO)2 x 4H2O salts. The analysis of the structure and composition of the synthesized nanoparticles confirms their nanometer size (main sizes around 10 nm) and the inclusion of the Ni atoms in the characteristic spinel structure of the magnetite Fe3O4 phase. In order to characterize in detail the structure of the samples, X-ray absorption (XANES) measurements were performed on the Ni and Fe K-edges. The results indicate the oxidation of the Ni atoms to the 2+ state and the location of the Ni2+ cations in the Fe2+ octahedral sites. With respect to the magnetic properties, the samples display the characteristic superparamagnetic behaviour, with anhysteretic magnetic response at room temperature. The estimated magnetic moment confirms the partial substitution of the Fe2+ cations by Ni2+ atoms in the octahedral sites of the spinel structure. PMID:22755104

  4. Precipitation Strengthening in Al-Ni-Mn Alloys

    NASA Astrophysics Data System (ADS)

    Fan, Yangyang; Huang, Kai; Makhlouf, Makhlouf M.

    2015-12-01

    Precipitation hardening of eutectic and hypoeutectic Al-Ni alloys by 2 to 4 wt pct. manganese is investigated with focus on the effect of the alloys' chemical composition and solidification cooling rate on microstructure and tensile strength. Within the context of the investigation, mathematical equations based on the Orowan Looping strengthening mechanism were used to calculate the strengthening increment contributed by each of the phases present in the aged alloy. The calculations agree well with measured values and suggest that the larger part of the alloy's yield strength is due to the Al3Ni eutectic phase, this is closely followed by contribution from the Al6Mn particles, which precipitate predominantly at grain boundaries.

  5. Magnetism of hexagonal Mn{sub 1.5}X{sub 0.5}Sn (X = Cr, Mn, Fe, Co) nanomaterials

    SciTech Connect

    Fuglsby, R.; Kharel, P.; Zhang, W.; Sellmyer, D. J.; Valloppilly, S.; Huh, Y.

    2015-05-07

    Mn{sub 1.5}X{sub 0.5}Sn (X = Cr, Mn, Fe, Co) nanomaterials in the hexagonal Ni{sub 2}In-type crystal structure have been prepared using arc-melting and melt spinning. All the rapidly quenched Mn{sub 1.5}X{sub 0.5}Sn alloys show moderate saturation magnetizations with the highest value of 458 emu/cm{sup 3} for Mn{sub 1.5}Fe{sub 0.5}Sn, but their Curie temperatures are less than 300 K. All samples except the Cr containing one show spin-glass-like behavior at low temperature. The magnetic anisotropy constants calculated from the high-field magnetization curves at 100 K are on the order of 1 Merg/cm{sup 3}. The vacuum annealing of the ribbons at 550 °C significantly improved their magnetic properties with the Curie temperature increasing from 206 K to 273 K for Mn{sub 1.5}Fe{sub 0.5}Sn.

  6. Delocalization and hybridization enhance the magnetocaloric effect in Ni2Mn0.75Cu0.25Ga

    SciTech Connect

    Roy, Sujoy; Blackburn, E.; Valvidares, S. M.; Fitzsimmons, M. R.; Vogel, Sven C.; Khan, M.; Dubenko, I.; Stadler, S.; Ali, N.; Sinha, S. K.; Kortright, J. B.

    2008-11-26

    In view of the looming energy crisis facing our planet, attention increasingly focuses on materials potentially useful as a basis for energy saving technologies. The discovery of giant magnetocaloric (GMC) compounds - materials that exhibit especially large changes in temperature as the externally applied magnetic field is varied - is one such compound 1. These materials have potential for use in solid state cooling technology as a viable alternative to existing gas based refrigeration technologies that use choro-fluoro - and hydro-fluoro-carbon chemicals known to have a severe detrimental effect on human health and environment 2,3. Examples of GMC compounds include Gd5(SiGe)4 4, MnFeP1-xAsx 5 and Ni-Mn-Ga shape memory alloy based compounds 6-8. Here we explain how the properties of one of these compounds (Ni2MnGa) can be tuned as a function of temperature by adding dopants. By altering the free energy such that the structural and magnetic transitions coincide, a GMC compound that operates at just the right temperature for human requirements can be obtained 9. We show how Cu, substituted for Mn, pulls the magnetic transition downwards in temperature and also, counterintuitively, increases the delocalization of the Mn magnetism. At the same time, this reinforces the Ni-Ga chemical bond, raising the temperature of the martensite-austenite transition. At 25percent doping, the two transitions coincide at 317 K.

  7. Magnetic dead layers in NiFe/Ta and NiFe/Si/diamond-like carbon films

    NASA Astrophysics Data System (ADS)

    Leng, Qunwen; Han, Hua; Mao, Ming; Hiner, Craig; Ryan, Francis

    2000-05-01

    NiFe, Ta films were fabricated by ion beam deposition (IBD) and diamond-like carbon (DLC) films by ion beam chemical vapor deposition (IB-CVD) and filtered cathodic arc (FCA) process. Magnetic dead layers at interfaces of Ta/NiFe/Tn and NiFe/Si/DLC trilayer films were determined by characterizing magnetic flux loss using a B-H loop tracer. Dependence of magnetic dead layer on ion beam voltage and thicknesses of Ta, DLC, and Si layers was investigated. It is found that the thickness of magnetic dead layer increases monotonously with increasing ion beam voltage for Ta and DLC film depositions. The magnetic dead layer of 4-6 Å thick forms at Ta/NiFe and NiFe/Ta interfaces at an ion beam voltage of 1000 V, which can be attributed to the atomic intermixing of incoming energetic adatoms with atoms of grown films at interfaces. Direct ion beam deposition of the DLC film in NiFe/Si/DLC layered structure gives rise to a magnetic thickness loss of 12-18 Å. Transmission electron microscopy cross-sectional observations have confirmed the formation of an amorphous-like interfacial layer, as a result of carbonization or silicidation of NiFe at interfaces of the trilayer film.

  8. Cyclic and isothermal oxidation behavior at 1100 and 1200 C of Ni-20Cr, Ni-20Cr-3Mn, Ni-20Cr-3Si, and Ni-40Cr alloys

    NASA Technical Reports Server (NTRS)

    Lowell, C. E.

    1973-01-01

    Alloys of Ni-20Cr, Ni-20Cr-3Mn, Ni-20Cr-3Si, and Ni-40Cr were cyclically oxidized at 1100 and 1200 C for up to 100 hours. Oxidation behavior was judged by sample thickness and weight change, metallography, diffraction, and microprobe analysis. The least attacked were Ni-40Cr and Ni-20Cr-3Si. The alloy Ni-20Cr-3Mn was much less attacked than Ni-20Cr, but more than the other alloys. The formation of Cr2O3 accounted for the increased resistance of Ni-Cr and Ni-20Cr-3Si, and the formation of MnCr2O4 accounts for the improvement in Ni-20Cr-3mn over Ni-20Cr.

  9. Pressure dependence on the remanent magnetization of Fe-Ni alloys and Ni metal

    NASA Astrophysics Data System (ADS)

    Wei, Qingguo; Gilder, Stuart Alan; Maier, Bernd

    2014-10-01

    We measured the acquisition of magnetic remanence of iron-nickel alloys (Fe64Ni36, Fe58Ni42, and Fe50Ni50) and pure Ni under pressures up to 23 GPa at room temperature. Magnetization decreases markedly for Fe64Ni36 between 5 and 7 GPa yet remains ferromagnetic until at least 16 GPa. Magnetization rises by a factor of 2-3 for the other compositions during compression to the highest applied pressures. Immediately upon decompression, magnetic remanence increases for all Fe-Ni alloys while magnetic coercivity remains fairly constant at relatively low values (5-20 mT). The amount of magnetization gained upon complete decompression correlates with the maximum pressure experienced by the sample. Martensitic effects best explain the increase in remanence rather than grain-size reduction, as the creation of single domain sized grains would raise the coercivity. The magnetic remanence of low Ni Invar alloys increases faster with pressure than for other body-centered-cubic compositions due to the higher magnetostriction of the low Ni Invar metals. Thermal demagnetization spectra of Fe64Ni36 measured after pressure release broaden as a function of peak pressure, with a systematic decrease in Curie temperature. Irreversible strain accumulation from the martensitic transition likely explains the broadening of the Curie temperature spectra, consistent with our x-ray diffraction analyses.

  10. Cation distribution and mixing thermodynamics in Fe/Ni thiospinels

    NASA Astrophysics Data System (ADS)

    Haider, Saima; Grau-Crespo, Ricardo; Devey, Antony J.; de Leeuw, Nora H.

    2012-07-01

    The structural analogy between Ni-doped greigite minerals (Fe3S4) and the (Fe, Ni)S clusters present in biological enzymes has led to suggestions that these minerals could have acted as catalysts for the origin of life. However, little is known about the distribution and stability of Ni dopants in the greigite structure. We present here a theoretical investigation of mixed thiospinels (Fe1-xNix)3S4, using a combination of density functional theory (DFT) calculations and Monte Carlo simulations. We find that the equilibrium distribution of the cations deviates significantly from a random distribution: at low Ni concentrations, Ni dopants are preferably located in octahedral sites, while at higher Ni concentrations the tetrahedral sites become much more favourable. The thermodynamic mixing behaviour between greigite and polydymite (Ni3S4) is dominated by the stability field of violarite (FeNi2S4), for which the mixing enthalpy exhibits a deep negative minimum. The analysis of the free energy of mixing shows that Ni doping of greigite is very unstable with respect to the formation of a separate violarite phase. The calculated variation of the cubic cell parameter with composition is found to be non-linear, exhibiting significant deviation from Vegard’s law, but in agreement with experiment.

  11. Novel reactions of homodinuclear Ni2 complexes [Ni(RNPyS4)]2 with Fe3(CO)12 to give heterotrinuclear NiFe2 and mononuclear Fe complexes relevant to [NiFe]- and [Fe]-hydrogenases.

    PubMed

    Song, Li-Cheng; Cao, Meng; Wang, Yong-Xiang

    2015-04-21

    The homodinuclear complexes [Ni(RNPyS4)]2 (; RNPyS4 = 2,6-bis(2-mercaptophenylthiomethyl)-4-R-pyridine; R = H, MeO, Cl, Br, i-Pr) were found to be prepared by reactions of the in situ generated Li2[Ni(1,2-S2C6H4)2] with 2,6-bis[(tosyloxy)methyl]pyridine and its substituted derivatives 2,6-bis[(tosyloxy)methyl]-4-R-pyridine. Further reactions of with Fe3(CO)12 gave both heterotrinuclear complexes NiFe2(RNPyS4)(CO)5 () and mononuclear complexes Fe(RNPyS4)(CO) (), unexpectedly. Interestingly, complexes and could be regarded as models for the active sites of [NiFe]- and [Fe]-hydrogenases, respectively. All the prepared complexes were characterized by elemental analysis, spectroscopy, and particularly for some of them, by X-ray crystallography. In addition, the electrochemical properties of and as well as the electrocatalytic H2 production catalyzed by and were investigated by CV techniques. PMID:25747808

  12. Scavenging of Cd through Fe/Mn oxides within natural surface coatings.

    PubMed

    Li, Yu; Huang, Guo-he; Zhang, Bai-yu; Guo, Shu-hai

    2006-01-01

    The dynamics of Cd scavenging from solutions by Fe/Mn oxides in natural surface coatings (NSCs) was investigated under laboratory conditions. Selective extraction methods were employed to estimate the contributions of Fe/Mn oxides, where hydroxylamine hydrochloride (0.01 mol/L NH2OH x HCl + 0.01 mol/L HNO3), sodium dithionite (0.4 mol/L Na2S2O4) and nitric acid (10% HNO3) were used as extraction reagents. The Cd scavenging was accomplished with developing periods of the NSCs (totally 21 data sets). The resulting process dynamics fitted well to the Elovich equation, demonstrating that the amount of Cd scavenged was proportional to the increments of Fe/Mn oxides that were accumulated in the NSCs. The amount of Cd bound to Fe oxides (M,,) and Mn oxides (MCdMn could be quantified by solving two equations based on the properties of two extraction reagents. The amount of Cd scavenged by Fe/Mn oxides could also be estimated using MCdFe and MCdMn, divided by the total amounts of Fe and Mn oxides in the NSCs, respectively. The results indicated that the Cd scavenging by Fe/Mn oxides was dominated by Fe oxides, with less roles attributed to Mn oxides. The estimated levels of Cd scavenging through Fe and Mn oxides agreed well with those predicted through additive-adsorption and linear-regression models. PMID:17294965

  13. Electrochemical sensing property of Mn doped Fe3O4 nanoparticles

    NASA Astrophysics Data System (ADS)

    Suresh, R.; Giribabu, K.; Manigandan, R.; Vijayalakshmi, L.; Stephen, A.; Narayanan, V.

    2013-02-01

    The Mn doped Fe3O4 nanoparticles were synthesized by hydrothermal method. The prepared nanoparticles were characterized by X-ray diffraction (XRD) analysis, UV-Visible spectroscopy (UV-Vis) and field emission scanning electron microscopy (FE-SEM). The electrochemical sensing property of pure and Mn doped Fe3O4 nanoparticles were examined using uric acid (UA) as an analyte. The obtained results indicated that the Mn doped Fe3O4 nanoparticles exhibited higher electrocatalytic activity towards UA.

  14. Crystallinity of Fe-Ni Sulfides in Carbonaceous Chondrites

    NASA Astrophysics Data System (ADS)

    Zolensky, M. E.; Ohsumi, K.; Mikouchi, T.; Hagiya, K.; Le, L.

    2008-03-01

    We examine the crystallinity and crystal structures of Fe-Ni sulfides in five carbonaceous chondrites - Acfer 094 (CM2), Tagish Lake (C2 ungrouped), Kaidun C1, Bali (CV2/3 oxidized), and Efremovka (CV3 reduced).

  15. Interdiffusion in nanometric Fe/Ni multilayer films

    SciTech Connect

    Liu, JX; Barmak, K

    2015-03-01

    Fe (3.1 nm)/Ni (3.3 nm)](20) multilayer films were prepared by DC magnetron sputtering onto oxidized Si(100) substrates. The Fe and Ni layers were shown to both be face-centered cubic by x-ray diffraction. Interdiffusion of the Fe and Ni layers in the temperature range of 300-430 degrees C was studied by x-ray reflectivity. From the decay of the integral intensity of the superlattice peak, the activation energy and the pre-exponential term for the effective interdiffusion coefficient were determined as to 1.06 +/- 0.07 eV and 5 x 10(-10) cm(2)/s, respectively. The relevance of the measured interdiffusion coefficient to the laboratory timescale synthesis of L1(0) ordered FeNi as a rare-earth free permanent magnet is discussed. (C) 2015 American Vacuum Society.

  16. Hydrogen activation by [NiFe]-hydrogenases.

    PubMed

    Carr, Stephen B; Evans, Rhiannon M; Brooke, Emily J; Wehlin, Sara A M; Nomerotskaia, Elena; Sargent, Frank; Armstrong, Fraser A; Phillips, Simon E V

    2016-06-15

    Hydrogenase-1 (Hyd-1) from Escherichia coli is a membrane-bound enzyme that catalyses the reversible oxidation of molecular H2 The active site contains one Fe and one Ni atom and several conserved amino acids including an arginine (Arg(509)), which interacts with two conserved aspartate residues (Asp(118) and Asp(574)) forming an outer shell canopy over the metals. There is also a highly conserved glutamate (Glu(28)) positioned on the opposite side of the active site to the canopy. The mechanism of hydrogen activation has been dissected by site-directed mutagenesis to identify the catalytic base responsible for splitting molecular hydrogen and possible proton transfer pathways to/from the active site. Previous reported attempts to mutate residues in the canopy were unsuccessful, leading to an assumption of a purely structural role. Recent discoveries, however, suggest a catalytic requirement, for example replacing the arginine with lysine (R509K) leaves the structure virtually unchanged, but catalytic activity falls by more than 100-fold. Variants containing amino acid substitutions at either or both, aspartates retain significant activity. We now propose a new mechanism: heterolytic H2 cleavage is via a mechanism akin to that of a frustrated Lewis pair (FLP), where H2 is polarized by simultaneous binding to the metal(s) (the acid) and a nitrogen from Arg(509) (the base). PMID:27284053

  17. Anodic vacuum arc developed nanocrystalline Cu-Ni and Fe-Ni thin film thermocouples

    SciTech Connect

    Mukherjee, S. K.; Sinha, M. K.; Pathak, B.; Rout, S. K.; Barhai, P. K.

    2009-12-01

    This paper deals with the development of nanocrystalline Cu-Ni and Fe-Ni thin film thermocouples (TFTCs) by using ion-assisted anodic vacuum arc deposition technique. The crystallographic structure and surface morphology of individual layer films have been studied by x-ray diffraction and scanning electron microscopy, respectively. The resistivity, temperature coefficient of resistance, and thermoelectric power of as deposited and annealed films have been measured. The observed departure of these transport parameters from their respective bulk values can be understood in terms of intrinsic scattering due to enhanced crystallite boundaries. From the measured values of thermoelectric power and the corresponding temperature coefficient of resistance of annealed Cu, Ni, and Fe films, the calculated values of log derivative of the mean free path of conduction electrons at the Fermi surface with respect to energy (U) are found to be -0.51, 3.22, and -8.39, respectively. The thermoelectric response of annealed Cu-Ni and Fe-Ni TFTCs has been studied up to a maximum temperature difference of 300 deg. C. Reproducibility of TFTCs has been examined in terms of the standard deviation in thermoelectric response of 16 test samples for each pair. Cu-Ni and Fe-Ni TFTCs agree well with their wire thermocouple equivalents. The thermoelectric power values of Cu-Ni and Fe-Ni TFTCs at 300 deg. C are found to be 0.0178 and 0.0279 mV/ deg. C, respectively.

  18. The Mn-Fe negative correlation in olivines in ALHA 77257 ureilite

    NASA Astrophysics Data System (ADS)

    Miyamoto, M.; Furuta, T.; Fujii, N.; McKay, D. S.; Lofgren, G. E.; Duke, M. B.

    1993-03-01

    An electron probe microanalyzer is used to measure the Mn, Fe, and oxygen zoning profiles of olivines in the ALHA 77257 ureilite. This is done to study the effects of reduction on the Mn-Fe value, as ureilite olivines exhibit thin reduced rims. Since the Mn content gradually increases toward the rim of ureilite olivines, while the Fa (= 100 x Fe/(Mg + Fe), mol percent) component decreases, the Mn-Fe content of olivine is likely related to redox conditions. The results of melting experiments suggest that the Mn-Fe positive correlation is related to temperature and that the negative correlation of Mn-Fe in olivine and low-Ca pyroxene is related to reduction.

  19. Comparative Study of Thermal Stability of NiFe and NiFeTa Thin Films Grown by Cosputtering Technique

    NASA Astrophysics Data System (ADS)

    Phuoc, Nguyen N.; Ong, C. K.

    2016-08-01

    A comparative study of the thermal behavior of dynamic permeability spectra for compositionally graded NiFeTa and uniform-composition NiFe thin films has been carried out. We found that the resonance frequency of the compositionally graded NiFeTa film increased with increasing temperature, while it decreased for the case of the uniform-composition NiFe thin film. This finding unambiguously suggests that the compositional gradient of the film is the only reason for the increase of the magnetic anisotropy with temperature due to its stress-induced origin, while the cosputtering technique does not play any role in this peculiar behavior. The temperature dependence of the frequency linewidth is also presented and discussed.

  20. Transition-metal and metalloid substitutions in L1(0)-ordered FeNi

    SciTech Connect

    Manchanda, P; Skomski, R; Bordeaux, N; Lewis, LH; Kashyap, A

    2014-05-07

    The effect of atomic substitutions on the magnetization, exchange, and magnetocrystalline anisotropy energy of L1(0)-ordered FeNi (tetrataenite) is computationally investigated. The compound naturally occurs in meteorites but has attracted renewed attention as a potential material for permanent magnets, and elemental additives will likely be necessary to facilitate the phase formation. Our density functional theory calculations use the Vienna ab-initio simulation package, applied to 4-atom unit cells of Fe2XNi and 32-atom supercells (X = Al, P, S, Ti, V, Cr, Mn, Fe, Co). While it is found that most additives deteriorate the magnetic properties, there are exceptions: excess substitutional Fe and Co additions improve the magnetization, whereas Cr, S, and interstitial B additions improve the magnetocrystalline anisotropy. (C) 2014 AIP Publishing LLC.

  1. Transition-metal and metalloid substitutions in L1{sub 0}-ordered FeNi

    SciTech Connect

    Manchanda, Priyanka; Skomski, Ralph; Bordeaux, N.; Lewis, L. H.; Kashyap, Arti

    2014-05-07

    The effect of atomic substitutions on the magnetization, exchange, and magnetocrystalline anisotropy energy of L1{sub 0}-ordered FeNi (tetrataenite) is computationally investigated. The compound naturally occurs in meteorites but has attracted renewed attention as a potential material for permanent magnets, and elemental additives will likely be necessary to facilitate the phase formation. Our density functional theory calculations use the Vienna ab-initio simulation package, applied to 4-atom unit cells of Fe{sub 2}XNi and 32-atom supercells (X = Al, P, S, Ti, V, Cr, Mn, Fe, Co). While it is found that most additives deteriorate the magnetic properties, there are exceptions: excess substitutional Fe and Co additions improve the magnetization, whereas Cr, S, and interstitial B additions improve the magnetocrystalline anisotropy.

  2. Structural, dielectric and gas sensing behavior of Mn substituted spinel MFe2O4 (M=Zn, Cu, Ni, and Co) ferrite nanoparticles

    NASA Astrophysics Data System (ADS)

    Ranjith Kumar, E.; Siva Prasada Reddy, P.; Sarala Devi, G.; Sathiyaraj, S.

    2016-01-01

    Spinel ferrite (MnZnFe2O4, MnCuFe2O4, MnNiFe2O4 and MnCoFe2O4) nanoparticles have been prepared by evaporation method. The annealing temperature plays an important role on changing particle size of the spinel ferrite nanoparticles was found out by X-ray diffraction and transmission electron microscopy. The role of manganese substitution in the spinel ferrite nanoparticles were also analyzed for different annealing temperature. The substitution of Mn also creates a vital change in dielectric properties have been measured in the frequency range of 100 kHz to 5 MHz. These spinel ferrites are decomposed to α-Fe2O3 after annealing above 550 °C in air. Through the characterization of the prepared powder, the effect of annealing temperature, chemical composition and preparation technique on the microstructure, particle size and dielectric properties of the Mn substituted spinel ferrite nanoparticles are discussed. Furthermore, Conductance response of Mn substituted MFe2O4 ferrite nanoparticles were measured by exposing the materials to reducing gas like liquefied petroleum gas (LPG).

  3. Effect of NiO spin orientation on the magnetic anisotropy of the Fe film in epitaxially grown Fe/NiO/Ag(001) and Fe/NiO/MgO(001)

    SciTech Connect

    Kim, W.; Jin, E.; Wu, J.; Park, J.; Arenholz, E.; Scholl, A.; Hwang, C.; Qiu, Z.

    2010-02-10

    Single crystalline Fe/NiO bilayers were epitaxially grown on Ag(001) and on MgO(001), and investigated by Low Energy Electron Diffraction (LEED), Magneto-Optic Kerr Effect (MOKE), and X-ray Magnetic Linear Dichroism (XMLD). We find that while the Fe film has an in-plane magnetization in both Fe/NiO/Ag(001) and Fe/NiO/MgO(001) systems, the NiO spin orientation changes from in-plane direction in Fe/NiO/Ag(001) to out-of-plane direction in Fe/NiO/MgO(001). These two different NiO spin orientations generate remarkable different effects that the NiO induced magnetic anisotropy in the Fe film is much greater in Fe/NiO/Ag(001) than in Fe/NiO/MgO(001). XMLD measurement shows that the much greater magnetic anisotropy in Fe/NiO/Ag(001) is due to a 90{sup o}-coupling between the in-plane NiO spins and the in-plane Fe spins.

  4. Unique coordination of pyrazine in T[Ni(CN){sub 4}].2pyz with T=Mn, Zn, Cd

    SciTech Connect

    Lemus-Santana, A.A.; Rodriguez-Hernandez, J.; Castillo, L.F. del; Basterrechea, M.; Reguera, E.

    2009-04-15

    The materials under study, T[Ni(CN){sub 4}].2pyz with T=Mn, Zn, Cd, were prepared by separation of T[Ni(CN){sub 4}] layers in citrate aqueous solution to allow the intercalation of the pyrazine molecules. The obtained solids were characterized from chemical analyses, X-ray diffraction, infrared, Raman, thermogravimetry, UV-Vis, magnetic and adsorption data. Their crystal structure was solved from ab initio using direct methods and then refined by the Rietveld method. A unique coordination for pyrazine to metal centers at neighboring layers was observed. The pyrazine molecule is found forming a bridge between Ni and T atoms, quite different from the proposed structures for T=Fe, Ni where it remains coordinated to two T atoms to form a vertical pillar between neighboring layers. The coordination of pyrazine to both Ni and T atoms minimizes the material free volume and leads to form a hydrophobic framework. On heating the solids remain stable up to 140 deg. C. No CO{sub 2} and H{sub 2} adsorption was observed in the small free spaces of their frameworks. - Graphical abstract: Framework for T[Ni(CN){sub 4}].2pyz with T=Mn, Zn, Cd.

  5. Semiconductor-to-metallic transition in Cu-substituted Ni-Mn ferrite

    NASA Astrophysics Data System (ADS)

    Ata-Allah, S. S.; Kaiser, M.

    2004-11-01

    The electrical properties of Cu-substituted Ni-Mn ferrite Ni1-xCuxMnyFe2-yO4 (with 0.0 ≤ x ≤ 1.0 and y = 0.6) are investigated by ac conductivity measurements in the frequency range 102-105 Hz and over the temperature range 300-730 K. The results obtained for these materials reveal a semiconductor-to-metallic transition as Cu content increases. All studied compositions exhibit a transition with a change in the slope of the conductivity versus temperature curve. This transition temperature is found to decrease linearly with increasing Cu concentration. Variations of dielectric permittivities ( and ) and dielectric loss tangent (tan δ) for the studied materials as a function of temperature and frequency are found to be strongly dependent on both Mn and Cu concentrations. The results for conductivity and dielectric parameters ( and ) and tan δ are explained on the basis of cation-anion-cation and cation-cation interactions over the octahedral sites in the spinel structure.

  6. Dielectric Behavior and Magnetic Properties of Mn-Substituted Ni-Zn Ferrites

    NASA Astrophysics Data System (ADS)

    Irfan, Muhammad; Niaz, N. A.; Ali, Irshad; Nasir, S.; Shakoor, Abdul; Aziz, Abdul; Karamat, Nazia; Khalid, N. R.

    2015-07-01

    Nanocrystalline spinel ferrites of nominal stoichiometry Ni0.5Zn0.5Mn x Fe2- x O4 ( x = 0.0, 0.1, 0.2, 0.3, 0.4) were synthesized by chemical co-precipitation. X-ray diffraction analysis revealed formation of a single cubic phase with no metal oxide secondary phase; increased intensity of peaks of the doped samples suggests that, in the range studied, substituents are completely dissolved in the cubic lattice. Grain size was measured by scanning electron microscopy, by use of the line intercept method. Dielectric measurements were obtained as a function of frequency in the range 20 Hz to 3 MHz. It was found that hopping conduction was the predominant mechanism of conduction in frequency-dependent alternating current conductivity. Conductivity relaxation of the charge carriers was examined by use of the electrical modulus formalism; the results were indicative of the presence of the non-Debye-type relaxation in the ferrites. The grain boundary contribution was clearly apparent from Cole-Cole plots. Hysteresis loops for all the samples were narrow with low values of coercivity and retentivity, indicative of the superparamagnetic nature of these samples. On the basis of these sample characteristics it is suggested that Ni-Zn-Mn ferrites may be potential candidates for hyperthermia applications.

  7. Microstructural properties, electrical behavior and low field magnetoresistance of (1-x)La0.67Sr0.33MnO3 (LSMO)+(x)Ni0.5Zn0.5Fe2O4 (NZFO) composites

    NASA Astrophysics Data System (ADS)

    Dar, Mashkoor Ahmad; Varshney, Dinesh

    2015-12-01

    The composites with composition of (1-x)La0.67Sr0.33MnO3 (LSMO)+(x)Ni0.5Zn0.5Fe2O4 (NZFO) with x=0.0 (S1), 0.04 (S2), 0.07 (S3), 0.10 (S4), 0.30 (S5) and 1.0 (S6) were synthesized by solid-state reaction route. Structural study using Rietveld refinement of X-ray diffraction (XRD) pattern indicates a rhombohedrally-distorted structure (space group R3c) for LSMO phase while to that NZFO compound crystallizes in cubic structure (space group Fd3m). XRD patterns and microstructural analysis show that LSMO and NZFO phase exists independently in Ni0.5Zn0.5Fe2O4 doped composites. The transport properties of the compositions x=0.0, x=0.04, and x=0.07 showed that NZFO phase improves the resistivity and shifts the metal-insulator transition temperature TMI towards lower temperature. The magnetoresistance (MR) of composite samples with x=0.04 and x=0.07 decreases monotonously from 200 to 300 K in a magnetic field of 8 T. At lower temperatures (~5 K), a sharp drop of negative MR at low fields (H<1 T) has been observed followed by a slower varying MR at a comparatively high-field regime (H>1 T) where MR is almost linear with applied magnetic field. Temperature dependence of resistivity for composites samples with x=0.04 and x=0.07 has been best fitted by small Polaron hopping (SPH) and variable range hopping models (VRH).

  8. Magnetism of ordered and disordered Ni2MnAl full Heusler compounds

    NASA Astrophysics Data System (ADS)

    Simon, E.; Vida, J. Gy.; Khmelevskyi, S.; Szunyogh, L.

    2015-08-01

    Based on ab initio calculations and Monte Carlo simulations, we present a systematic study of the magnetic ground state and finite temperature magnetism of ordered and disordered Ni2MnAl full Heusler compounds. By increasing the degree of the long-range chemical disorder between the Mn and Al sublattices, the magnetic order progressively changes from the ferromagnetic state in the ordered L 21 phase toward a fully compensated antiferromagnetic state in the disordered B 2 phase and we also conclude that the Ni atoms exhibit induced moments. We determine the Mn-Mn interactions by using the magnetic force theorem and find dominating, but rather weak ferromagnetic couplings in the ordered L 21 phase. We used a recently proposed renormalization technique to include the weak Ni moments into the spin model, which indeed remarkably increased the nearest-neighbor Mn-Mn interaction. In accordance with the total energy calculations, in the disordered compounds, strong antiferromagnetic site-antisite Mn-Mn interactions appear. Determining the spin-spin correlation functions from Monte Carlo simulations, we conclude that above the transition temperature, short-range antiferromagnetic correlations prevail between the Mn atoms. In view of the potential application of disordered Ni2MnAl as a room temperature antiferromagnet, we calculate the magnetic anisotropy energies of tetragonally distorted samples in the B 2 phase and find that they are smaller by two orders in magnitude than in the frustrated antiferromagnet IrMn3.

  9. Leaching of Mn, Co, and Ni from manganese nodules using an anaerobic bioleaching method.

    PubMed

    Lee, E Y; Noh, S; Cho, K; Ryu, H W

    2001-01-01

    An anaerobic bioleaching of a manganese nodule by anaerobic Mn-reducing bacteria was evaluated for the leaching of metals, Mn, Co, and Ni. Insoluble Mn4+ in the nodule could be reduced to soluble Mn2+ by dissimilatory Mn-reducing bacteria that use a carbon source and Mn4+ as an electron donor and acceptor, respectively. As a result of the Mn reduction, Co and Ni could be leached from the loosed Mn matrix. Leaching experiments were carried out to optimize various process parameters, such as inoculation, pH, temperature, mineral salts, and particle size of the nodule used. The leaching efficiencies of Mn, Co, and Ni increased from 18, 7, and 10% to 77, 70, and 75%, respectively by the inoculation of the Mn-reducing enrichment culture broth. Metals could be efficiently recovered from the nodule in the ranges of pH from 5.0 to 6.5 and temperature from 30 to 45 degrees C by anaerobic bioleaching. External addition of mineral salts was not necessary for Mn, Co, and Ni leaching from the nodule. The optimum ratio of nodule to glucose was 0.1 (w/w). To obtain a leaching efficiency above 70%, the particle size of the nodules must be less than 0.6 mm. PMID:16233110

  10. Alloying effects on the microstructure and phase stability of Fe-Cr-Mn steels

    SciTech Connect

    Rawers, J.C.

    2008-05-01

    Austenitic Fe–Cr–Mn stainless steels interstitially alloyed with nitrogen have received considerable interest lately, due to their many property improvements over conventional Fe–Cr–Ni alloys. The addition of nitrogen to Fe–Cr–Mn stabilizes the fcc structure and increases the carbon solubility. The benefits of increased interstitial nitrogen and carbon content include: enhanced strength, hardness, and wear resistance. This study examines the effect of carbon, silicon, molybdenum, and nickel additions on the phase stability and tensile behavior of nitrogen-containing Fe–Cr–Mn alloys. Nitrogen and carbon concentrations exceeding 2.0 wt.% were added to the base Fe–18Cr–18Mn composition without the formation of nitride or carbide precipitates. Minor additions of molybdenum, silicon, and nickel did not affect nitrogen interstitial solubility, but did reduce carbon solubility resulting in the formation of M23C6 (M=Cr, Fe, Mo) carbides. Increasing the interstitial content increases the lattice distortion strain, which is directly correlated with an increase in yield stress.

  11. Assessment of Mn-Fe-Si-C Melt in Unified Interaction Parameter Formalism

    NASA Astrophysics Data System (ADS)

    Shin, Jung Pil; Lee, Young E.

    2016-02-01

    The solubility of C in Mn-Fe-Si-C melt decreases with increasing Si content, and its decrease becomes greater when the phase in equilibrium with Mn-Fe-Si-C melt changes from carbon to SiC. Such behavior has an industrial implication for low carbon products and processes of steels and Mn alloys. Li and Morris assessed the solution properties of Mn-Fe-Si-C system in the UIP formalism, but the effectiveness of their assessment was limited in applicable ranges of composition to Mn-rich solution and of temperature to around 1673 K (1400 °C). This study develops the information of activity coefficients of C and Si of Mn-Fe-Si-C system from the consistent experimental solubility of C and assesses them in the UIP formalism. This assessment of Mn-Fe-Si-C system describes confidently the behavior of solution properties in a wide range of composition and temperature.

  12. A Mn(IV)/Fe(IV) Intermediate in Assembly of the Mn(IV)/Fe(III) Cofactor of Chlamydia trachomatis Ribonucleotide Reductase†

    PubMed Central

    Jiang, Wei; Hoffart, Lee M.; Krebs, Carsten; Bollinger, J. Martin

    2008-01-01

    We recently showed that the class Ic ribonucleotide reductase from the human pathogen, Chlamydia trachomatis, uses a MnIV/FeIII cofactor to generate protein and substrate radicals in its catalytic mechanism [Jiang, W., Yun, D., Saleh, L., Barr, E. W., Xing, G., Hoffart, L. M., Maslak, M.-A., Krebs, C., and Bollinger, J. M., Jr. (2007) Science 316, 1188-1191]. Here, we have dissected the mechanism of formation of this novel heterobinuclear redox cofactor from the MnII/FeII cluster and O2. An intermediate with a g = 2 EPR signal that shows hyperfine coupling to both 55Mn and 57Fe accumulates almost quantitatively in a second order reaction between O2 and the reduced R2 complex. The otherwise slow decay of the intermediate to the active MnIV/FeIII-R2 complex is accelerated by the presence of the one-electron reductant, ascorbate, implying that the intermediate is more oxidized than MnIV/FeIII. Mössbauer spectra show that the intermediate contains a high-spin FeIV center. Its chemical and spectroscopic properties establish that the intermediate is a MnIV/FeIV-R2 complex with an S = 1/2 electronic ground state arising from antiferromagnetic coupling between the MnIV (SMn = 3/2) and high-spin FeIV (SFe = 2) sites. PMID:17616152

  13. Origin of concretionary Mn-Fe-oxides in stream sediments of Maine, U.S.A.

    USGS Publications Warehouse

    Nowlan, G.A.; McHugh, J.B.; Hessin, T.D.

    1983-01-01

    Studies of stream and sediment-pore waters largely explain the genesis of concretionary Mn-Fe-oxides in Maine. Waters of two small streams near Jackman, Maine, were studied in terms of pH, Eh, dissolved oxygen, dissolved organic carbon, dissolved Mn, total dissolved Fe, and ferrous and ferric Fe. Pyrite Creek has profuse concretions and coatings of Mn-Fe-oxides, whereas West Pyrite Creek has only sparse Mn-Fe-oxide stains. Pyrite Creek drains boggy terrain and West Pyrite Creek drains well-drained terrain. In West Pyrite Creek, stream and subjacent pore waters have chemical characteristics that do not differ greatly. However, dissolved Mn, ferrous Fe, dissolved oxygen, and in situ Eh measurements show that a steep Eh gradient exists between stream and subjacent pore waters of Pyrite Creek. The steep Eh gradient is manifested by the common zonation of coatings and stains on rocks in stream sediment. The bottom zone has no deposition of oxides, the middle zone is red and consists mostly of Fe-oxides, and the upper zone is black or dark-brown and consists of Mn-oxides with varying amounts of Fe-oxides. The zonation agrees with theoretical predictions of oxide stability as one moves from a reducing to an oxidizing environment. At locations where concretionary Mn-Fe-oxides form, pore waters are depleted of oxygen because of abundant decaying organic material in the stream sediment. The pore waters are charged with dissolved Mn and Fe because mechanically deposited Mn-Fe-oxides are remobilized due to the low-Eh conditions. Groundwaters also contribute dissolved Mn and Fe. Stream waters, on the other hand, are oxygenated and the high-Eh conditions result in low concentrations of dissolved Mn and Fe in stream waters because of the insolubility of Mn-Fe-oxides in high-Eh environments. Therefore, concretionary Mn-Fe-oxides form at the interface between pore and stream waters because Mn- and Fe-rich pore waters, which are undersaturated with respect to Mn-Fe-oxides, mix with

  14. Close correlation between magnetic properties and the soft phonon mode of the structural transition in BaFe>2mn>As>2mn> and SrFe>2mn>As>2mn>

    SciTech Connect

    Parshall, D.; Pintschovius, L.; Niedziela, Jennifer L.; Castellan, J. -P.; Lamago, D.; Mittal, R.; Wolf, Th.; Reznik, Dmitry

    2015-04-27

    Parent compounds of Fe-based superconductors undergo a structural phase transition from a tetragonal to an orthorhombic structure. We investigated the temperature dependence of the frequencies of TA phonons that extrapolate to the shear vibrational mode at the zone center, which corresponds to the orthorhombic deformation of the crystal structure at low temperatures in BaFe>2mn>As>2mn> and SrFe>2mn>As>2mn>. We found that acoustic phonons at small wave vectors soften gradually towards the transition from high temperatures, tracking the increase of the size of slowly fluctuating magnetic domains. On cooling below the transition to base temperature the phonons harden, following the square of the magnetic moment (which we find is proportional to the anisotropy gap). Finally, our results provide evidence for close correlation between magnetic and phonon properties in Fe-based superconductors.

  15. Magnetic and magnetocaloric exploration of Fe rich (Mn,Fe)2(P,Ge)

    NASA Astrophysics Data System (ADS)

    Leitão, J. V.; van der Haar, M.; Lefering, A.; Brück, E.

    2013-10-01

    We explored the Fe rich side of the (Mn,Fe)2(P,Ge) magnetocaloric system. The transition temperature of this system is extremely easy to tune with careful manipulation of Fe and Ge content as well as stoichiometrical proportions, which give rise to the real possibility of lowering the price of this compound and thus make it economically viable for practical magnetocaloric applications. Novel and unexpected magnetic properties observed in this system suggest an exciting potential for permanent magnet application in a limited concentration range.

  16. Luminescence characteristics of ZnS nanoparticles co-doped with Ni 2+ and Mn 2+

    NASA Astrophysics Data System (ADS)

    Yang, Ping; Lü, Mengkai; Xu, Dong; Yuan, Duorong; Song, Chunfeng; Liu, Suwen; Cheng, Xiufeng

    2003-12-01

    ZnS nanoparticles doped with Ni 2+ and Mn 2+ have been prepared by co-precipitation from homogeneous solutions of Zn, Ni and Mn salt compounds, with S 2- as precipitating anion formed by decomposition of thioacetamide (TAA). X-ray diffraction analysis shows that the average crystalline particle size of the doped and undoped ZnS nanometer scale samples is about 2-4 nm. A novel luminescent property has been observed in the photoluminescence (PL) spectra of the ZnS nanoparticles co-doped with Ni 2+ and Mn 2+. The ZnS nanoparticles can be doped with Ni 2+ and Mn 2+ during synthesis without altering the X-ray diffraction pattern. However, the emission wavelengths (with a color range from blue to green, λem=475-540 nm) and PL intensities of the co-doped samples vary with changing the impurity mole ratios of Ni 2+ and Mn 2+ in the co-doped samples. When the mole ratios of Ni 2+ and Mn 2+ in the co-doped sample are 0.3% and 2.0%, respectively, the relative fluorescence intensity of the co-doped samples is about four times of that of un-doped ZnS nanocrystals. The PL properties of the co-doped samples are dramatically different from those of Ni 2+- and Mn 2+-doped ZnS nanocrystals.

  17. Structural analysis of ferromagnetic Ni-Mn-Sn thin films fabricated by co-sputter deposition

    NASA Astrophysics Data System (ADS)

    Guvenc, Sema; Yumak, Mehmet; Nedelcos, A. Quintana; Llamazares, J. L. Sanchez; Garcia, Carlos Garcia

    2015-03-01

    Ferromagnetic Ni-Mn-X (Sn, In) alloys are predicted as potential candidates for energy efficient Magnetocaloric Effect (MCE) technologies. The MCE is the basis of magnetic refrigeration and it leads to a groundbreaking progress on conventional refrigeration methods. In our research, Ni-Mn-Sn thin films were fabricated by co-sputter deposition method. The Mn losses due to the high Mn vapor pressure produce a deviation from the desired Ni50Mn37Sn13 composition, which are partially compensated by increasing power of the Mn target gun. A systematic study of thin film co-sputter fabrication was divided into three stages; i) a Ni-Mn-Sn target was evaporated at different temperatures in order to study the grain size temperature dependence, ii) the nominal chemical composition (Ni50Mn37Sn13) was reached by controlling the power value applied to the Mn target, iii) the dependence of the phase transformation temperature with the grain size of the thin film alloys was studied. Grain size can be controlled by modifying the substrate temperature (Ts) .

  18. Fabrication and Characterization of MnBi/Co and MnBi/FeCo Nanocomposite Bulk Magnets

    NASA Astrophysics Data System (ADS)

    Poudyal, Narayan; Gandha, Kinjal; Wang, Wei; Liu, Xiaotong; Qiu, Zhaoguo; Elkins, Kevin; Liu, J. Ping; Cui, Jun; Department of Physics, University of Texas at Arlington, Texas 76019, USA Team; Energy; Environment Directorate, Pacific Northwest National Laboratory, Richland, Washington USA Collaboration

    2015-03-01

    We report the fabrication of MnBi/Co and MnBi/FeConanocomposite bulk magnets by consolidating the hard and the soft phase powder particles under a magnetic field followed by subsequent sintering process. The anisotropic micro and submicron hard magnetic MnBi particles were first prepared by low energy cryo ball milling at liquid nitrogen temperature. MnBi/Co and MnBi/FeCo nanocomposite powders were then prepared by using different fraction of chemically synthesized Co nanowires and FeCo nanoparticles as the soft magnetic phase. The saturation magnetization (Ms) of the composite magnets increases with addition of the soft phase while the coercivity first increases and then decreases. The MnBi/Co and MnBi/FeCo nanocomposite bulk magnets have reached an enhanced magnetization value (Ms = 78 and 80.6 emu/g) with 30 wt. % of Co nanowires and FeCo nanoparticles, respectively compared to the single phase MnBi bulk magnet (Ms = 52 emu/g).

  19. Magnetic properties and thermal stability of MnBi/NdFeB hybrid bonded magnets

    NASA Astrophysics Data System (ADS)

    Cao, S.; Yue, M.; Yang, Y. X.; Zhang, D. T.; Liu, W. Q.; Zhang, J. X.; Guo, Z. H.; Li, W.

    2011-04-01

    Magnetic properties and thermal stability were investigated for the MnBi/NdFeB (MnBi = 0, 20, 40, 60, 80, and 100 wt.%) bonded hybrid magnets prepared by spark plasma sintering (SPS) technique. Effect of MnBi content on the magnetic properties of the hybrid magnets was studied. With increasing MnBi content, the coercivity of the MnBi/NdFeB hybrid magnets increases rapidly, while the remanence and maximum energy product drops simultaneously. Thermal stability measurement on MnBi magnet, NdFeB magnet, and the hybrid magnet with 20 wt.% MnBi indicates that both the NdFeB magnet and the MnBi/NdFeB hybrid magnet have a negative temperature coefficient of coercivity, while the MnBi magnet has a positive one. The (BH)max of the MnBi/NdFeB magnet (MnBi = 20 wt.%) is 5.71 MGOe at 423 K, which is much higher than 3.67 MGOe of the NdFeB magnet, indicating a remarkable improvement of thermal stability.

  20. Magnetic properties and thermal stability of MnBi/NdFeB hybrid bonded magnets

    SciTech Connect

    Cao, S.; Yue, M.; Yang, Y. X.; Zhang, D. T.; Liu, W. Q.; Zhang, J. X.; Guo, Z. H.; Li, W.

    2011-04-01

    Magnetic properties and thermal stability were investigated for the MnBi/NdFeB (MnBi = 0, 20, 40, 60, 80, and 100 wt.%) bonded hybrid magnets prepared by spark plasma sintering (SPS) technique. Effect of MnBi content on the magnetic properties of the hybrid magnets was studied. With increasing MnBi content, the coercivity of the MnBi/NdFeB hybrid magnets increases rapidly, while the remanence and maximum energy product drops simultaneously. Thermal stability measurement on MnBi magnet, NdFeB magnet, and the hybrid magnet with 20 wt.% MnBi indicates that both the NdFeB magnet and the MnBi/NdFeB hybrid magnet have a negative temperature coefficient of coercivity, while the MnBi magnet has a positive one. The (BH){sub max} of the MnBi/NdFeB magnet (MnBi = 20 wt.%) is 5.71 MGOe at 423 K, which is much higher than 3.67 MGOe of the NdFeB magnet, indicating a remarkable improvement of thermal stability.

  1. Maturation of [NiFe]-hydrogenases in Escherichia coli.

    PubMed

    Forzi, Lucia; Sawers, R Gary

    2007-06-01

    Hydrogenases catalyze the reversible oxidation of dihydrogen. Catalysis occurs at bimetallic active sites that contain either nickel and iron or only iron and the nature of these active sites forms the basis of categorizing the enzymes into three classes, the [NiFe]-hydrogenases, the [FeFe]-hydrogenases and the iron sulfur cluster-free [Fe]-hydrogenases. The [NiFe]-hydrogenases and the [FeFe]-hydrogenases are unrelated at the amino acid sequence level but the active sites share the unusual feature of having diatomic ligands associated with the Fe atoms in the these enzymes. Combined structural and spectroscopic studies of [NiFe]-hydrogenases identified these diatomic ligands as CN- and CO groups. Major advances in our understanding of the biosynthesis of these ligands have been achieved primarily through the study of the membrane-associated [NiFe]-hydrogenases of Escherichia coli. A complex biosynthetic machinery is involved in synthesis and attachment of these ligands to the iron atom, insertion of the Fe(CN)2CO group into the apo-hydrogenase, introduction of the nickel atom into the pre-formed active site and ensuring that the holoenzyme is correctly folded prior to delivery to the membrane. Although much remains to be uncovered regarding each of the individual biochemical steps on the pathway to synthesis of a fully functional enzyme, our understanding of the initial steps in CN- synthesis have revealed that it is generated from carbamoyl phosphate. What is becoming increasingly clear is that the metabolic origins of the carbonyl group may be different. PMID:17216401

  2. Magnetization reversal of uncompensated Fe moments in exchangebiased Ni/FeF2 bilayers

    SciTech Connect

    Arenholz, Elke; Liu, Kai; Li, Zhipan; Schuller, Ivan K.

    2006-01-01

    The magnetization reversal of uncompensated Fe moments in exchange biased Ni/FeF{sub 2} bilayers was determined using soft x-ray magnetic circular and linear dichroism. The hysteresis loops resulting from the Fe moments are almost identical to those of the ferromagnetic Ni layer. However, a vertical loop shift indicates that some Fe moments are pinned in the antiferromagnetically ordered FeF{sub 2}. The pinned moments are oriented antiparallel to small cooling fields leading to negative exchange bias, but parallel to large cooling fields resulting in positive exchange bias. No indication for the formation of a parallel antiferromagnetic domain wall in the FeF{sub 2} layer upon magnetization reversal in the Ni layer was found.

  3. The design of an Fe-12Mn-O.2Ti alloy steel for low temperature use

    NASA Technical Reports Server (NTRS)

    Hwang, S. K.; Morris, J. W., Jr.

    1977-01-01

    An investigation was made to improve the low temperature mechanical properties of Fe-8 approximately 12% Mn-O 2Ti alloy steels. A two-phase(alpha + gamma) tempering in combination with cold working or hot working was identified as an effective treatment. A potential application as a Ni-free cryogenic steel was shown for this alloy. It was also shown that an Fe-8Mn steel could be grain-refined by a purely thermal treatment because of its dislocated martensitic structure and absence of epsilon phase. A significant reduction of the ductile-brittle transition temperature was obtained in this alloy. The nature and origin of brittle fracture in Fe-Mn alloys were also investigated. Two embrittling regions were found in a cooling curve of an Fe-12Mn-O 2Ti steel which was shown to be responsible for intergranular fracture. Auger electron spectroscopy identified no segregation during solution-annealing treatment. Avoiding the embrittling zones by controlled cooling led to a high cryogenic toughness in a solution-annealed condition.

  4. Magnetic epoxy nanocomposites with superparamagnetic MnFe2O4 nanoparticles

    NASA Astrophysics Data System (ADS)

    Huang, Jiangnan; Cao, Yonghai; Zhang, Xi; Li, Yutong; Guo, Jiang; Wei, Suying; Peng, Xiangfang; Shen, Tong D.; Guo, Zhanhu

    2015-09-01

    Manganese iron oxide (MnFe2O4) nanoparticles successfully served as nanofillers for obtaining magnetic epoxy nanocomposites. The viscosities of MnFe2O4/epoxy resin liquid suspensions increased with increasing the nanoparticles loading except the suspension with 5.0 and 1.0 wt% loading, whose viscosities were lower than that of pure epoxy. The introduction of MnFe2O4 nanoparticles showed a lower onset decomposition temperature and glass transition temperature (Tg), which decreased with increasing the nanoparticles loading. The storage modulus and tensile strength of 1.0 wt% MnFe2O4/epoxy were a little higher than that of pure epoxy. The coercivity of MnFe2O4/epoxy nanocomposites with 5.0 wt% (44.7 Oe) and 10.0 wt% (43.9 Oe) displayed much higher than that of pure MnFe2O4 nanoparticles (14.94 Oe). The magnetic moment (m) of nanocomposites (1.354 μB for 10 wt% MnFe2O4/epoxy) are higher than that of pure MnFe2O4 nanoparticles (1.244 μB). The increased real permittivity observed in the nanocomposites was attributed to the interfacial polarization. The intrinsic permittivity of the MnFe2O4 nanoparticles was also calculated.

  5. Structural and magnetic properties of Ni/Mn codoped ZnO nanoparticles

    NASA Astrophysics Data System (ADS)

    Vijayaprasath, G.; Murugan, R.; Asaithambi, S.; Sakthivel, P.; Mahalingam, T.; Ravi, G.

    2016-05-01

    We report systematic studies of the magnetic properties of Ni and Mn co-doped ZnO nanoparticles prepared by co-precipitation method. Structural characterization reveals that Ni and Mn ions substituted into ZnO lattices without any secondary phases formation. Photoluminescence and Raman spectra shows that the Ni/Mn were doped into the ZnO lattice resulting slight shift in near-band-edge emission. Moreover, the novel Raman peak at 586 cm-1 indicates two kinds of cations via doping that could affect the local polarizability. Magnetic measurements of the nanoparticles exhibits ferromagnetic behavior at room-temperature.

  6. Synthesis and characterization of perovskite-type Sr{sub x}Y{sub 1−x}FeO{sub 3−δ} (0.63≤x<1.0) and Sr{sub 0.75}Y{sub 0.25}Fe{sub 1−y}M{sub y}O{sub 3−δ} (M=Cr, Mn, Ni), (y=0.2, 0.33, 0.5)

    SciTech Connect

    Biendicho, J.J.; Shafeie, S.; Frenck, L.; Gavrilova, D.; Böhme, S.; Bettanini, A.M.; Svedlindh, P.; Hull, S.; Zhao, Z.; Istomin, S.Ya.; Grins, J.; Svensson, G.

    2013-04-15

    Oxygen-deficient ferrates with the cubic perovskite structure Sr{sub x}Y{sub 1−x}FeO{sub 3−δ} were prepared in air (0.71≤x≤0.91) as well as in N{sub 2} (x=0.75 and 0.79) at 1573 K. The oxygen content of the compounds prepared in air increases with increasing strontium content from 3−δ=2.79(2) for x=0.75 to 3−δ=2.83(2) for x=0.91. Refinement of the crystal structure of Sr{sub 0.75}Y{sub 0.25}FeO{sub 2.79} using TOF neutron powder diffraction (NPD) data shows high anisotropic atomic displacement parameter (ADP) for the oxygen atom resulting from a substantial cation and anion disorder. Electron diffraction (ED) and high-resolution electron microscopy (HREM) studies of Sr{sub 0.75}Y{sub 0.25}FeO{sub 2.79} reveal a modulation along 〈1 0 0〉{sub p} with G± ∼0.4〈1 0 0〉{sub p} indicating a local ordering of oxygen vacancies. Magnetic susceptibility measurements at 5–390 K show spin-glass behaviour with dominating antiferromagnetic coupling between the magnetic moments of Fe cations. Among the studied compositions, Sr{sub 0.75}Y{sub 0.25}FeO{sub 2.79} shows the lowest thermal expansion coefficient (TEC) of 10.5 ppm/K in air at 298–673 K. At 773–1173 K TEC increases up to 17.2 ppm/K due to substantial reduction of oxygen content. The latter also results in a dramatic decrease of the electrical conductivity in air above 673 K. Partial substitution of Fe by Cr, Mn and Ni according to the formula Sr{sub 0.75}Y{sub 0.25}Fe{sub 1−y}M{sub y}O{sub 3−δ} (y=0.2, 0.33, 0.5) leads to cubic perovskites for all substituents with y=0.2. Their TECs are higher in comparison with un-doped Sr{sub 0.75}Y{sub 0.25}FeO{sub 2.79}. Only M=Ni has increased electrical conductivity compared to un-doped Sr{sub 0.75}Y{sub 0.25}FeO{sub 2.79}. - Graphical abstract: Oxygen-deficient ferrates with the cubic perovskite structure Sr{sub x}Y{sub 1−x}FeO{sub 3−δ} were prepared both in air (0.71≤x≤0.91) and N{sub 2} (x=0.75 and 0.79) at 1573 K. Refinement of the

  7. Fe-species-loaded mesoporous MnO2 superstructural requirements for enhanced catalysis.

    PubMed

    Huang, Ruting; Liu, Yanyu; Chen, Zhiwen; Pan, Dengyu; Li, Zhen; Wu, Minghong; Shek, Chan-Hung; Wu, C M Lawrence; Lai, Joseph K L

    2015-02-25

    In this work, a novel catalyst, Fe-species-loaded mesoporous manganese dioxide (Fe/M-MnO2) urchinlike superstructures, has been fabricated successfully in a two-step technique. First, mesoporous manganese dioxide (M-MnO2) urchinlike superstructures have been synthesized by a facile method on a soft interface between CH2Cl2 and H2O without templates. Then the M-MnO2-immobilized iron oxide catalyst was obtained through wetness impregnation and calcination. Microstructural analysis indicated that the M-MnO2 was composed of urchinlike hollow submicrospheres assembled by nanorod building blocks with rich mesoporosity. The Fe/M-MnO2 retained the hollow submicrospheres, which were covered by hybridized composites with broken and shortened MnO2 nanorods. Energy-dispersive X-ray microanalysis was used to determine the availability of Fe loading processes and the homogeneity of Fe in Fe/M-MnO2. Catalytic performances of the M-MnO2 and Fe/M-MnO2 were evaluated in catalytic wet hydrogen peroxide oxidation of methylene blue (MB), a typical organic pollutant in dyeing wastewater. The catalytic degradation displayed highly efficient discoloration of MB when using the Fe/M-MnO2 catalyst, e.g., ca. 94.8% of MB was decomposed when the reaction was conducted for 120 min. The remarkable stability of this Fe/M-MnO2 catalyst in the reaction medium was confirmed by an iron leaching test and reuse experiments. Mechanism analysis revealed that the hydroxyl free radical was responsible for the removal of MB and catalyzed by M-MnO2 and Fe/M-MnO2. MB was transformed into small organic compounds and then further degraded into CO2 and H2O. The new insights obtained in this study will be beneficial for the practical applications of heterogeneous catalysts in wastewater treatments. PMID:25626157

  8. Evaporative segregation in 80% Ni-20% Cr and 60% Fe-40% Ni alloys

    NASA Technical Reports Server (NTRS)

    Gupta, K. P.; Mukherjee, J. L.; Li, C. H.

    1974-01-01

    An analytical approach is outlined to calculate the evaporative segregation behavior in metallic alloys. The theoretical predictions are based on a 'normal' evaporation model and have been examined for Fe-Ni and Ni-Cr alloys. A fairly good agreement has been found between the predicted values and the experimental results found in the literature.

  9. Natural speciation of Mn, Ni and Zn at a micrometer scale in aclayey paddy soil using X-ray fluorescence, absorption anddiffraction

    SciTech Connect

    Manceau, Alain; Tommaseo, Caterina; Rihs, Sophie; Geoffroy,Nicolas; Chateigner, Daniel; Schlegel, Michel; Tisserand, Delphine; Marcus, Matthew A.; Tamura, Nobumichi; Chen, Zueng-Sang

    2005-08-29

    The natural speciation of Mn (0.19 g/kg), Ni (46 mg/kg), and Zn (42 mg/kg) in the argillic horizon (120 cm depth, pH = 5.6) of an Ultisol from a paddy soil in northern Taiwan was investigated by advanced X-ray synchrotron techniques. Microchemical associations were imaged by synchrotron-based X-ray microfluorescence, host minerals were identified by standard and micrometer-resolved X-ray diffraction, and the local coordination environment of Mn, Ni, and Zn was probed using extended X-ray absorption fine structure (EXAFS) spectroscopy on a powdered sample and a soil thin section, and polarized EXAFS spectroscopy on a highly textured self-supporting clay film from the <2 mu m fraction of the soil. Manganese was concentrated in Fe-Mn soft mottles (44.4 g/kg) as turbostratic hexagonal birnessite and lithiophorite having Mn3+/Mn4+atomic ratios of {approx} 20 percent and 50 percent, respectively. Quantitative analysis of high-order scattering paths of the EXAFS spectrum for natural and synthetic (Al0.67Li0.32)(Mn0.684+Mn0.323+)O2(OH)2 lithiophorite revealed that Mn3+ and Mn4+ are ordered in the[(Mn0.684+Mn0.323+)O2]0.32- layer. A structural model is proposed, in which Mn4+ and Mn3+ are ordered similarly to Al and Li in the [(Al0.673+Li0.32+)(OH)2]0.32- layer, with Mn3+ cations being surrounded by six Mn4+, and Mn4+ cations by three Mn3+ and three Mn4+. Similar cation ordering in the manganese and aluminum layers likely provides a more homogeneous local balance of the excess and deficit of charges in each layer and increases the stability of lithiophorite. Ni (r = 0.70Angstrom) substitutes for Mn(r(Mn4+) = 0.54 Angstrom, r(Mn3+) = 0.65Angstrom) in the manganese layer in the natural lithiophorite. In contrast, Zn(r = 0.74 Angstrom) fills vacant sites in the gibbsitic layer of natural lithiophorite, in a similar manner as lithium (r = 0.74) Angstrom in synthetic lithiophorite. The partitioning of Ni and Zn between the two layers is a result of the general preference of Ni

  10. Nanocrystalline spinel ferrite (MFe{sub 2}O{sub 4}, M = Ni, Co, Mn, Mg, Zn) powders prepared by a simple aloe vera plant-extracted solution hydrothermal route

    SciTech Connect

    Phumying, Santi; Labuayai, Sarawuth; Swatsitang, Ekaphan; Amornkitbamrung, Vittaya; Maensiri, Santi

    2013-06-01

    Graphical abstract: This figure shows the specific magnetization curves of the as-prepared MFe{sub 2}O{sub 4} (M = Ni, Co, Mn, Mg, Zn) powders obtained from room temperature VSM measurement. These curves are typical for a soft magnetic material and indicate hysteresis ferromagnetism in the field ranges of ±500 Oe, ±1000 Oe, and ±2000 Oe for the CoFe{sub 2}O{sub 4}, MgFe{sub 2}O{sub 4} and MnFe{sub 2}O{sub 4} respectively, whereas the samples of NiFe{sub 2}O{sub 4} and ZnFe{sub 2}O{sub 4} show a superparamagnetic behavior. Highlights: ► Nanocrystalline MFe{sub 2}O{sub 4} powders were synthesized by a novel hydrothermal method. ► Metal acetylacetonates and aloe vera plant-extracted solution are used. ► This biosynthetic route is very simple and provides high-yield oxide nanomaterials. ► XRD and TEM results indicate that the prepared samples have only spinel structure. ► The maximum M{sub s} of 68.9 emu/g at 10 kOe were observed for the samples of MnFe{sub 2}O{sub 4}. - Abstract: Nanocrystalline spinel ferrite MFe{sub 2}O{sub 4} (M = Ni, Co, Mn, Mg, Zn) powders were synthesized by a novel hydrothermal method using Fe(acac){sub 3}, M(acac){sub 3} (M = Ni, Co, Mn, Mg, Zn) and aloe vera plant extracted solution. The X-ray diffraction and selected-area electron diffraction results indicate that the synthesized nanocrystalline have only spinel structure without the presence of other phase impurities. The crystal structure and morphology of the spinel ferrite powders, as revealed by TEM, show that the NiFe{sub 2}O{sub 4} and CoFe{sub 2}O{sub 4} samples contain nanoparticles, whereas the MnFe{sub 2}O{sub 4} and MgFe{sub 2}O{sub 4} samples consist of many nanoplatelets and nanoparticles. Interestingly, the ZnFe{sub 2}O{sub 4} sample contains plate-like structure of networked nanocrystalline particles. Room temperature magnetization results show a ferromagnetic behavior of the CoFe{sub 2}O{sub 4}, MnFe{sub 2}O{sub 4} and MgFe{sub 2}O{sub 4} samples, whereas the

  11. Entropic and magnetic properties of Ni-Mn-In magnetocaloric materials

    NASA Astrophysics Data System (ADS)

    Chen, Jing-Han; Bruno, Nickolaus; Karaman, Ibrahim; Huang, Yujin; Li, Jianguo; Ross, Joseph H., Jr.

    2015-03-01

    We report magnetization and field-dependent calorimetry studies of phase transitions in Ni-Mn-In. Off-stoichiometric alloys based on NiMnIn have drawn attention due to the coupled first order magnetic and structural transformation, and the large magnetocaloric entropy associated with this martensitic transformation. We have analyzed materials with compositions NiMnIn, NiMnInand NiMnIn, which differ in that the former exhibits a paramagnetic to antiferromagnetic transition, while the others exhibit an additional ferromagnetic transition. Our results show that in the Nimaterials, the total entropy change at the phase transition can be modeled solely according to a magnetic contribution due to local moments on the Mn sites. On the other hand, NiMnInincludes a larger contribution which can be described in terms of a magneto-elastic coupling. This we will discuss in terms of the Bean-Rodbell model and a renomalization of the Debye temperature coupled with magnetism. We will also discuss the low-temperature properties, which show divergent behavior including antiferromagnetic, ferrimagnetic and superparamagnetic behavior. We gratefully acknowledge the support from NSF-DMR and the Robert A. Welch Foundation.

  12. Thermodynamic Assessment of the Aluminum Corner of the Al-Fe-Mn-Si System

    NASA Astrophysics Data System (ADS)

    Lacaze, Jacques; Eleno, Luiz; Sundman, Bo

    2010-09-01

    A new assessment of the aluminum corner of the quaternary Al-Fe-Mn-Si system has been made that extends beyond the COST-507 database. This assessment makes use of a recent, improved description of the ternary Al-Fe-Si system. In the present work, modeling of the Al-rich corner of the quaternary Al-Fe-Mn-Si system has been carried out by introducing Fe solubility into the so-called alpha-AlMnSi and beta-AlMnSi phases of the Al-Mn-Si system. A critical review of the data available on the quaternary system is presented and used for the extension of the description of these ternary phases into the quaternary Al-Fe-Mn-Si.

  13. Excess Ni-doping induced enhanced room temperature magneto-functionality in Ni-Mn-Sn based shape memory alloy

    SciTech Connect

    Pramanick, S.; Giri, S.; Majumdar, S.; Chatterjee, S.

    2014-09-15

    Present work reports on the observation of large magnetoresistance (∼−30% at 80 kOe) and magnetocaloric effect (∼12 J·kg{sup −1}·K{sup −1} for 0–50 kOe) near room temperature (∼290 K) on the Ni-excess ferromagnetic shape memory alloy Ni{sub 2.04}Mn{sub 1.4}Sn{sub 0.56}. The sample can be thought of being derived from the parent Ni{sub 2}Mn{sub 1.4}Sn{sub 0.6} alloy, where excess Ni was doped at the expense of Sn. Such Ni doping enhances the martensitic transition temperature and for the Ni{sub 2.04}Mn{sub 1.4}Sn{sub 0.56} it is found to be optimum (288 K). The doped alloy shows enhanced magneto-functional properties as well as reduced saturation magnetization as compared to the undoped counterpart at low temperature. A probable increment of antiferromagnetic correlation between Mn-atoms on Ni substitution can be accounted for the enhanced magneto-functional properties as well as reduction in saturation moment.

  14. Excess Ni-doping induced enhanced room temperature magneto-functionality in Ni-Mn-Sn based shape memory alloy

    NASA Astrophysics Data System (ADS)

    Pramanick, S.; Chatterjee, S.; Giri, S.; Majumdar, S.

    2014-09-01

    Present work reports on the observation of large magnetoresistance (˜-30% at 80 kOe) and magnetocaloric effect (˜12 J.kg-1.K-1 for 0-50 kOe) near room temperature (˜290 K) on the Ni-excess ferromagnetic shape memory alloy Ni2.04Mn1.4Sn0.56. The sample can be thought of being derived from the parent Ni2Mn1.4Sn0.6 alloy, where excess Ni was doped at the expense of Sn. Such Ni doping enhances the martensitic transition temperature and for the Ni2.04Mn1.4Sn0.56 it is found to be optimum (288 K). The doped alloy shows enhanced magneto-functional properties as well as reduced saturation magnetization as compared to the undoped counterpart at low temperature. A probable increment of antiferromagnetic correlation between Mn-atoms on Ni substitution can be accounted for the enhanced magneto-functional properties as well as reduction in saturation moment.

  15. Cu-Mn-Fe alloys and Mn-rich amphiboles in ancient copper slags from the Jabal Samran area, Saudi Arabia: With synopsis on chemistry of Fe-Mn(III) oxyhydroxides in alteration zones

    NASA Astrophysics Data System (ADS)

    Surour, Adel A.

    2015-01-01

    In the Jabal Samran area (western Saudi Arabia), secondary copper mineralization in a NE-trending shear zone in which the arc metavolcanic host rocks (dacite-rhyodacite) show conjugate fractures and extensive hydrothermal alteration and bleaching. The zones contain frequent Fe-Mn(III) oxyhydroxides (FeOH-MnOH) that resulted from oxidation of pyrite and Mn-bearing silicates. In the bleached part, the groundmass is represented by Fe-bearing interstratified illite-smectite with up to 4.02 wt% FeOt. FeOH-MnOH are pre-weathering phases formed by hydrothermal alteration in a submarine environment prior to uplifting. Five varieties of FeOH are distinguished, four of them are exclusively hydrothermal with ∼20 wt% H2O whereas the fifth contains ∼31-33 wt% H2O and might represent reworking of earlier hydrothermal FeOH phases by weathering. FeOH fills thin fractures in the form of veinlets and crenulated laminae or as a pseudomorph for pyrite, goethite and finally ferrihydrite, and this oxyhydroxide is characterized by positive correlation of Fe2O3 with SiO2 and Al2O3. On the other hand, MOH shows positive correlation between MnO2 and Al2O3 whereas it is negative between Fe2O3 and SiO2. Paratacamite is the most common secondary copper mineral that fills fractures and post-dates FeOH and MnOH. It is believed that Cl- in the structure of paratacamite represents inherited marine storage rather than from surfacial evaporates or meteoric water. The mineralogy of slags suggests a complicated mineral assemblage that includes native Cu prills, synthetic spinifixed Mn-rich amphiboles with 16.73 wt% MnO, brown glass and Ca-Mn-Fe phase close to the olivine structure. EMPA indicate that the some Cu prills have either grey discontinuous boarder zone of S-rich Mn-Cu alloy (with up to 21.95 wt% S and 19.45 wt% Mn) or grey Cu-Mn-Fe alloy (with up to 15.9 wt% Cu, 39. 12 wt% Mn and 61.64 wt% Fe). Mn in the Cu prills is expelled inward as Cu-Mn-Fe alloy inclusions whereas S is expelled

  16. Metastable γ-FeNi nanostructures with tunable Curie temperature

    NASA Astrophysics Data System (ADS)

    Miller, K. J.; Sofman, M.; McNerny, K.; McHenry, M. E.

    2010-05-01

    We report on new metastable γ-FeNi nanoparticles produced by mechanical alloying of melt-spun ribbon using a high energy ball mill followed by a solution annealing treatment in the γ-phase region and water quenching in of the face-centered cubic γ-phase. In the Fe-Ni phase diagram there is a strong compositional dependence of the Curie temperature, Tc, on composition in the γ-phase. This work studies the stabilization of γ-phase nanostructures and the compositional tuning of Tc in Fe-Ni alloys which can have important ramifications on the self-regulated heating of magnetic nanoparticles in temperature ranges of interest for applications in polymer curing and cancer thermotherapies. To date we have achieved Curie temperatures as low as 120 °C by this method.

  17. Bimetallic Fe-Ni Oxygen Carriers for Chemical Looping Combustion

    SciTech Connect

    Bhavsar, Saurabh; Veser, Goetz

    2013-11-06

    The relative abundance, low cost, and low toxicity of iron make Fe-based oxygen carriers of great interest for chemical looping combustion (CLC), an emerging technology for clean and efficient combustion of fossil and renewable fuels. However, Fe also shows much lower reactivity than other metals (such as Ni and Cu). Here, we demonstrate strong improvement of Fe-based carriers by alloying the metal phase with Ni. Through a combination of carrier synthesis and characterization with thermogravimetric and fixed-bed reactor studies, we demonstrate that the addition of Ni results in a significant enhancement in activity as well as an increase in selectivity for total oxidation. Furthermore, comparing alumina and ceria as support materials highlights the fact that reducible supports can result in a strong increase in oxygen carrier utilization.

  18. Study of the preparation of NI-Mn-Zn ferrite using spent NI-MH and alkaline Zn-Mn batteries

    NASA Astrophysics Data System (ADS)

    Xi, Guoxi; Xi, Yuebin; Xu, Huidao; Wang, Lu

    2016-01-01

    Magnetic nanoparticles of Ni-Mn-Zn ferrite have been prepared by a sol-gel method making use of spent Ni-MH and Zn-Mn batteries as source materials. Characterization by X-ray diffraction was carried out to study the particle size. The presence of functional groups was identified by Fourier transform infrared spectroscopy. From studies by thermogravimetry and differential scanning calorimetry, crystallization occurred at temperatures above 560 °C. The magnetic properties of the final products were found to be directly influenced by the average particle size of the product. The Ms values increase and the Hc values decrease as the size of the Ni-Mn-Zn ferrite particles increases.

  19. The influence of suboxic diagenesis on Mn-Fe nodules from the CCFZ in the Pacific Ocean: new answers to old questions

    NASA Astrophysics Data System (ADS)

    Wegorzewski, Anna; Kuhn, Thomas; Lückge, Andreas

    2014-05-01

    Polymetallic nodules occuring between the Clarion and Clipperton Fracture Zone (CCFZ) in the equatorial Pacific are of high economic interest due to high content of metals such as Ni, Cu, Co, Mo, Li, Te and high field strength elements (REY, Ti, Hf, Nb, Ta, Zr). These Mn-Fe oxy-hydroxide precipitations consist of a complex texture of irregular, concentrically banded zones of nm to µm thick layers of different genesis. We carried out chemical and mineralogical analyses of individual layers and distribution of their metals (e.g., Ni and Cu) in order to decipher the environmental conditions of nodule formation. X-ray Photoelectron Spectroscopy (XPS) measurements of the youngest outermost layers (1-3nm) which precipitated around the nodules (surface, which was in contact with near-bottom water; bottom side, which was in contact with sediment pore water; rim which show the interface between sediment and water) represent low Mn/Fe ratios (1.4-2.8), low Ni+Cu contents (0.3 to 1.9 wt%) but higher Co content (0.3-1.4 wt%) on all sides of the nodules. These results are typical for hydrogenetic grow processes under oxic conditions. Oxygen concentration measurements of ocean bottom water and pore water (within the sediments) proved that the nodules are currently growing completely under oxic conditions. Individual layers within the nodules reveal a high chemical heterogeneity. These layers are characterized by highly variable Mn/Fe ratios (3-300) with high variations of Ni+Cu content (1-5.5 wt%) and low Co contents (< 0.2 wt%). Mineralogically, these layers consist of 10Å manganates such as the tectomanganate todorokite and the turbostatic phyllomanganate buserite and a 7Å phyllomanganate birnessite. These Mn-minerals were precipitated from pore water either under oxic (Mn/Fe 3-10) or suboxic (Mn/Fe ≥ 10; Ni+Cu 2-5 wt%; Co ~ 0.1 wt%) conditions. These layers alternate with layers of low Mn/Fe ratios (≤ 3) and low Ni+Cu concentrations (~1 wt%) but elevated Co content (0

  20. Effect of cation substitution at the B site on the oxygen semi-permeation flux in La0.5Ba0.5Fe0.7B0.3O3-δ dense perovskite membranes with B = Al, Co, Cu, Mg, Mn, Ni, Sn, Ti and Zn (part II)

    NASA Astrophysics Data System (ADS)

    Reichmann, M.; Geffroy, P.-M.; Fouletier, J.; Richet, N.; Del Gallo, P.; Chartier, T.

    2015-03-01

    The aim of this paper is to provide insight into the effect of cation substitution at the B site on the oxygen semi-permeation performances. Particular attention is given here to identify the impact of cation substitution at the B site on oxygen diffusion and oxygen surface-exchange kinetics in the La0.5Ba0.5Fe0.7B0.3O3-δ perovskite membrane series with B = Al, Co, Cu, Mg, Mn, Ni, Sn, Ti and Zn. This study clearly shows that the prediction of the oxygen semi-permeation performances of membrane materials from the nature of cation at the A or B sites in perovskite structure is quite complex. The cation substitution at the B-site has a low impact on the nature of rate-determining step and a significant impact on oxygen semi-permeation performances, contrary to the cation substitution at A-site. Unfortunately, it is not possible to establish a relevant trend about the effect of the nature of cation in the A or B sites in perovskite structure on oxygen diffusion and the oxygen surface-exchange kinetics.

  1. Cu(II), Co(II), Ni(II), Mn(II), and Fe(II) metal complexes containing N,N'-(3,4-diaminobenzophenon)-3,5-Bu t2-salicylaldimine ligand: Synthesis, structural characterization, thermal properties, electrochemistry, and spectroelectrochemistry

    NASA Astrophysics Data System (ADS)

    Tas, E.; Kilic, A.; Durgun, M.; Küpecik, L.; Yilmaz, I.; Arslan, S.

    2010-02-01

    The synthesis, structure, spectroscopic and electro-spectrochemical properties of steric hindered Schiff-base ligand [ N,N'-(3,4-benzophenon)-3,5-Bu t2-salicylaldimine (LH 2)] and its mononuclear Cu(II), Co(II), Ni(II), Mn(II) and Fe(II) complexes are described in this work. The new dissymmetric steric hindered Schiff-base ligand containing a donor set of NONO was prepared through reaction of 3,4-diaminobenzophenon with 3,5-Bu t2-salicylaldehyde. Certain metal complexes of this ligand were synthesized by treating an ethanolic solution of the ligand with an equimolar amount of metal salts. The ligand and its complexes were characterized by FT-IR, UV-vis, 1H NMR, elemental analysis, molar conductivity and thermal analysis methods in addition to magnetic susceptibility, electrochemistry and spectroelectrochemistry techniques. The tetradentate and mononuclear metal complexes were obtained by reacting N,N'-(3,4-benzophenon)-3,5-Bu t2-salicylaldimine (LH 2) with some metal acetate in a 1:1 mole ratio. The molar conductance data suggest metal complexes to be non-electrolytes.

  2. Influence of the presence of pre-existing thermal [var epsilon]-martensite on the formation of stress-induced [var epsilon]-martensite and on the shape memory effect of a Fe-Mn-Cr-Si-Ni shape memory alloy

    SciTech Connect

    Federzoni, L.; Guenin, G. )

    1994-07-01

    At present, many investigations are done on Fe-Mn-based shape memory alloys because of their particularly good one-way type shape memory effect and their low cost. With addition of Cr and Ni, it is possible to reach a good corrosion resistance, which confers to this type of alloys a commercial significance. The shape memory effect is associated with the formation of stress-induced [var epsilon]-martensite by deformation of an austenitic ([gamma]) sample. The reversion by heating of the [var epsilon]-martensite provides the shape memory effect. It is generally admitted that the presence of thermal [var epsilon]-martensite before deformation has a negative influence on the formation of the stress-induced martensite and on the shape memory effect. The authors' purpose is to evaluate the real influence of the pre-existing thermal [var epsilon]-martensite on the formation of the stress-induced [var epsilon]-martensite, its recovery and on the shape memory effect.

  3. Enhanced magnetic refrigeration properties in Mn-rich Ni-Mn-Sn ribbons by optimal annealing

    PubMed Central

    Zhang, Yu; Zhang, Linlin; Zheng, Qiang; Zheng, Xinqi; Li, Ming; Du, Juan; Yan, Aru

    2015-01-01

    The influence of annealing time on temperature range of martensitic phase transition (ΔTA-M), thermal hysteresis (ΔThys), magnetic hysteresis loss (ΔMhys), magnetic entropy change (ΔSM) and relative refrigeration capacity (RC) of the Mn-rich Ni43Mn46Sn11 melt spun ribbons have been systematically studied. By optimal annealing, an extremely large ΔSM of 43.2 J.kg−1K−1 and a maximum RC of 221.0 J.kg−1 could be obtained respectively in a field change of 5 T. Both ΔTA-M and ΔThys decreases after annealing, while ΔMhys and ΔSM first dramatically increase to a maximum then degenerates as increase of annealing time. A large effective cooling capacity (RCeff) of 115.4 J.kg−1 was achieved in 60 min annealed ribbons, which increased 75% compared with that unannealed ribbons. The evolution of magnetic properties and magnetocaloric effect has been discussed and proved by atomic ordering degree, microstructure and composition analysis. PMID:26055884

  4. Possible martensitic transformation and ferrimagnetic properties in Heusler alloy Mn2NiSn

    NASA Astrophysics Data System (ADS)

    Duan, Ying-Ni; Fan, Xiao-Xi; Kutluk, Abdugheni; Du, Xiu-Juan; Zhang, Zheng-Wei; Song, Yu-Ling

    2015-07-01

    The electronic structure and magnetic properties of Hg2CuTi-type Mn2NiSn have been studied by performing the first-principle calculations. It is found that the phase transformation from the cubic to the tetragonal structure reduces the total energy, indicating that the martensitic phase is more stable and the phase transition from austenite to martensite may happen at low temperature for Hg2CuTi-type Mn2NiSn. Concerning the magnetism of Hg2CuTi-type Mn2NiSn, both austenitic and martensitic phases are suggested to be ferrimagnets. Furthermore, martensitic transformation decreases the magnetic moment per formula unit compared with austenitic phase. The results are helpful to accelerate the use of Mn2NiSn alloys in the series for magnetic shape memory applications.

  5. Low temperature magneto-structural transitions in Mn3Ni20P6

    NASA Astrophysics Data System (ADS)

    Cedervall, Johan; Beran, Premysl; Vennström, Marie; Danielsson, Therese; Ronneteg, Sabina; Höglin, Viktor; Lindell, David; Eriksson, Olle; André, Gilles; Andersson, Yvonne; Nordblad, Per; Sahlberg, Martin

    2016-05-01

    X-ray and neutron powder diffraction has been used to determine the crystal and magnetic structure of Mn3Ni20P6. The crystal structure can be described as cubic with space group Fm 3 barm (225) without any nuclear phase transformation within studied temperature interval from room temperature down to 4 K. The magnetic structure of Mn3Ni20P6 is complex with two independent magnetic positions for the Mn atoms and the compound passes three successive magnetic phase transitions during cooling. At 30 K the spins of the Mn atoms on the Wyckoff 4a site (Mn1) order to form a primitive cubic antiferromagnetic structure with propagation vector k=(0 0 1). Between 29 and 26 K the Mn atoms on the Wyckoff 8c site (Mn2) order independently on already ordered Mn1 magnetic structure forming a commensurate antiferromagnetic structure with propagation vector k=(0 0 ½) and below 26 K, both Mn positions order to form an incommensurate helical structure with propagation vector k=(0 0 ~0.45). Magnetization vs. temperature curve of Mn3Ni20P6 shows a steep increase indicating some magnetic ordering below 230 K and a sharp field dependent anomaly in a narrow temperature range around 30 K.

  6. Hydrogen-Resistant Fe/Ni/Cr-Base Superalloy

    NASA Technical Reports Server (NTRS)

    Bhat, Biliyar N.; Chen, Po-Shou; Panda, Binayak

    1994-01-01

    Strong Fe/Ni/Cr-base hydrogen- and corrosion-resistant alloy developed. Superalloy exhibits high strength and exceptional resistance to embrittlement by hydrogen. Contains two-phase microstructure consisting of conductivity precipitated phase in conductivity matrix phase. Produced in wrought, weldable form and as castings, alloy maintains high ductility and strength in air and hydrogen. Strength exceeds previously known Fe/Cr/Ni hydrogen-, oxidation-, and corrosion-resistant alloys. Provides higher strength-to-weight ratios for lower weight in applications as storage vessels and pipes that must contain hydrogen.

  7. Bimetallic FeNi concave nanocubes and nanocages.

    PubMed

    Moghimi, Nafiseh; Abdellah, Marwa; Thomas, Joseph Palathinkal; Mohapatra, Mamata; Leung, K T

    2013-07-31

    Concave nanostructures are rare because of their thermodynamically unfavorable shapes. We prepared bimetallic FeNi concave nanocubes with high Miller index planes through controlled triggering of the different growth kinetics of Fe and Ni. Taking advantage of the higher activity of the high-index planes, we then fabricated monodispersed concave nanocages via a material-independent electroleaching process. With the high-index facets exposed, these concave nanocubes and nanocages are 10- and 100-fold more active, respectively, toward electrodetection of 4-aminophenol than cuboctahedrons, providing a label-free sensing approach for monitoring toxins in water and pharmaceutical wastes. PMID:23837524

  8. Effects of two-temperature model on cascade evolution in Ni and NiFe

    DOE PAGESBeta

    Samolyuk, German D.; Xue, Haizhou; Bei, Hongbin; Weber, William J.

    2016-07-05

    We perform molecular dynamics simulations of Ni ion cascades in Ni and equiatomic NiFe under the following conditions: (a) classical molecular dynamics (MD) simulations without consideration of electronic energy loss, (b) classical MD simulations with the electronic stopping included, and (c) using the coupled two-temperature MD (2T-MD) model that incorporates both the electronic stopping and the electron-phonon interactions. Our results indicate that the electronic e ects are more profound in the higher energy cascades and that the 2T-MD model results in a smaller amount of surviving damage and smaller defect clusters, while less damage is produced in NiFe than inmore » Ni.« less

  9. The improvement of cryogenic mechanical properties of Fe-12 Mn and Fe-8 Mn alloy steels through thermal/mechanical treatments

    NASA Technical Reports Server (NTRS)

    Hwang, S. K.; Morris, J. W., Jr.

    1979-01-01

    An investigation has been made to improve the low temperature mechanical properties of Fe-8Mn and Fe-12Mn-0.2 Ti alloy steels. A reversion annealing heat treatment in the two-phase (alpha + gamma) region following cold working has been identified as an effective treatment. In an Fe-12Mn-0.2Ti alloy a promising combination of low temperature (-196 C) fracture toughness and yield strength was obtained by this method. The improvement of properties was attributed to the refinement of grain size and to the introduction of a uniform distribution of retained austenite (gamma). It was also shown that an Fe-8Mn steel could be grain-refined by a purely thermal treatment because of its dislocated alpha-prime martensitic structure and absence of epsilon martensite. As a result, a significant reduction of ductile to brittle transition temperature was obtained.

  10. Tuning of interlayer exchange coupling in Ni80Fe20/Ru/Ni80Fe20 nanowires

    NASA Astrophysics Data System (ADS)

    Liu, X. M.; Lupo, P.; Cottam, M. G.; Adeyeye, A. O.

    2015-09-01

    In this work, we demonstrate how the static and dynamic properties of Ni80Fe20/Ru/Ni80Fe20 nanowires can be tuned by varying the Ru spacer layer thickness. Specifically, changing the Ru thickness we have tuned the Ruderman-Kittel-Kasuya-Yosida exchange interaction, and thus the antiferromagnetic (AFM) strength between the Ni80Fe20 layers. We show that there is a strong correlation between the interlayer coupling and features in ferromagnetic resonance (FMR) modes. We found different mode-softening degree of the FMR curves as function of the strength of AFM coupling, together with a clear frequency gap at around zero field. These experimental results are in qualitative agreement with presented micromagnetic simulations that also include biquadratic interface exchange. Understanding these characteristics may offer insights for reconfigurable vertical magnetic logic devices and microwave filters.

  11. Stripe-to-bubble transition of magnetic domains at the spin reorientation of (Fe/Ni)/Cu/Ni/Cu(001)

    SciTech Connect

    Wu, J.; Choi, J.; Won, C.; Wu, Y. Z.; Scholl, A.; Doran, A.; Hwang, Chanyong; Qiu, Z.

    2010-06-09

    Magnetic domain evolution at the spin reorientation transition (SRT) of (Fe/Ni)/Cu/Ni/Cu(001) is investigated using photoemission electron microscopy. While the (Fe/Ni) layer exhibits the SRT, the interlayer coupling of the perpendicularly magnetized Ni layer to the (Fe/Ni) layer serves as a virtual perpendicular magnetic field exerted on the (Fe/Ni) layer. We find that the perpendicular virtual magnetic field breaks the up-down symmetry of the (Fe/Ni) stripe domains to induce a net magnetization in the normal direction of the film. Moreover, as the virtual magnetic field increases to exceed a critical field, the stripe domain phase evolves into a bubble domain phase. Although the critical field depends on the Fe film thickness, we show that the area fraction of the minority domain exhibits a universal value that determines the stripe-to-bubble phase transition.

  12. Snoek peaks of carbon in Fe-Ni meteorites.

    NASA Astrophysics Data System (ADS)

    Weller, M.; Wert, C.

    1996-12-01

    Most Fe-Ni meteorites are a two phase mixture of fcc and bcc phases. The authors secured six samples of Fe contents from 95% to 85% all of which were thought to contain small amounts of carbon. They found no Snoek peaks in the as-received condition for any of the six. After being heated and cooled, three showed pronounced Snoek peaks, three showed no Snoek peaks.

  13. Prolidase-Associated Trace Elements (Mn, Zn, Co, and Ni) in the Patients with Parkinson's Disease.

    PubMed

    Verma, Akhilesh Kumar; Keshari, Anand Kumar; Raj, Janak; Kumari, Renu; Kumar, Tarun; Sharma, Vivek; Singh, Tej Bali; Srivastava, Shalabh; Srivastava, Ragini

    2016-05-01

    Micronutrients and trace elements have been identified to play an important role in the development of Parkinson's disease (PD). In our previous study, we observed that prolidase activity is associated with oxidative stress and progression of PD. In present study, we aimed to study the association of prolidase-associated trace elements, such as Co, Mn, Ni, and Zn in the plasma of patients with PD by inductively coupled plasma spectrometry. Plasma levels of Co, Mn, and Ni were significantly increased, whereas plasma levels of Zn was significantly decreased (all P < 0.05) in the patients with PD than healthy controls. Plasma prolidase activity was not correlated to its associated trace elements in PD. A positive, linear, and significant correlation was observed between age and Co, and Mn, and Ni while negative and non-significant between age and status of Zn in the patients. Co, Mn, and Ni were continually elevated with increase in age as well as duration of disease in the patients with PD, whereas status of Zn was continually decreased. Thus, the study concluded that trace elements Co, Ni, and Mn status were increased and Zn status was decreased in the plasma of patients with PD. It is also concluded that elevated Co, Mn, and Ni has been associated with progression of Parkinson's disease. PMID:26364956

  14. Mesoporous hybrid NiOx-MnOx nanoprisms for flexible solid-state asymmetric supercapacitors.

    PubMed

    Wei, Chengzhen; Cheng, Cheng; Ma, Lan; Liu, Mengna; Kong, Dechen; Du, Weimin; Pang, Huan

    2016-06-28

    Mesoporous hybrid NiOx-MnOx nanoprisms have been successfully prepared in this work. The synthesis process involves a facile solvothermal method for preparation of Ni-Mn precursor particles and a subsequent annealing treatment. These mesoporous hybrid NiOx-MnOx nanoprisms have a high surface area of 101.6 m(2) g(-1). When evaluated as electrode materials in supercapacitors, the as-prepared mesoporous hybrid NiOx-MnOx nanoprisms deliver a specific capacitance of 1218 F g(-1) at a current density of 2.0 A g(-1). More importantly, the mesoporous hybrid NiOx-MnOx nanoprisms were successfully used to construct flexible solid-state asymmetric supercapacitors. The device shows a specific capacitance of 149.1 mF cm(-2) at 2.0 mA cm(-2), a good cycling stability with only 2.9% loss of capacitance after 5000 charge-discharge cycles, and good mechanical flexibility under different bending angles. These results support the promising application of mesoporous hybrid NiOx-MnOx nanoprisms as advanced supercapacitor materials. PMID:27295406

  15. Local valence and magnetic characteristics of La2NiMnO6

    SciTech Connect

    Guo, HZ; Gupta, A.; Varela del Arco, Maria; Pennycook, Stephen J; Zhang, J

    2009-01-01

    Epitaxial thin films of ordered double perovskite La{sub 2}NiMnO{sub 6} have been studied by a combination of high-resolution scanning transmission electron microscopy, quantitative electron energy loss spectroscopy, x-ray absorption spectroscopy, and x-ray magnetic circular dichroism (XMCD) spectroscopy. Our results show the nominal oxidation states of Ni and Mn ions to be Ni{sup 2+} and Mn{sup 4+} thus the ferromagnetism in ground state is mainly due to Ni{sup 2+}-O-Mn{sup 4+} superexchange interactions. In addition, short-range ferromagnetic correlations are observed above the Curie temperature (T{sub c} {approx} 280 K) from XMCD measurement, which are likely induced by antisite defects against long-range ordering of the Ni/Mn sublattice. The XMCD results also demonstrate that the Ni{sup 2+} and Mn{sup 4+} ions are ferromagnetically aligned but exhibit large differences in the spin and orbital contributions to their effective magnetic moments.

  16. Unique Sandwiched Carbon Sheets@Ni-Mn Nanoparticles for Enhanced Oxygen Evolution Reaction.

    PubMed

    Zhang, Yan; Zhang, Huijuan; Yang, Jiao; Bai, Yuanjuan; Qiu, Huajun; Wang, Yu

    2016-05-11

    A unique sandwich-like architecture, where Ni-Mn nanoparticles are enveloped in coupled carbon sheets (CS@Ni-Mn), has been successfully fabricated. In the synthesis process, a great quantity of uniform NiMnO3 nanosheets generated by a universal hydrothermal method acts as precursors and templates and the cheap, environmentally friendly and recyclable glucose functions as a green carbon source. Via subsequent hydrothermal reaction and thermal annealing, sandwiched nanocomposites with Ni-Mn nanoparticles embedded inside and carbon sheets encapsulating outside can be massively prepared. The novel sandwich-like CS@Ni-Mn possesses numerous advantages, such as an intrinsic porous feature, large specific surface area, and enhanced electronic conductivity. Moreover, as a promising NiMn-based oxygen evolution reaction (OER) catalyst, the special sandwiched nanostructure demonstrates improved electrochemical properties in 1 M KOH, including a low overpotential of about 250 mV, a modest Tafel slope of 40 mV dec(-1), excellent stability over 2000 cycles, and durability for 40 h. PMID:27101350

  17. Structural, magnetic and dielectric properties of polyaniline/MnCoFe2O4 nanocomposites

    NASA Astrophysics Data System (ADS)

    Chitra, Palanisamy; Muthusamy, Athianna; Jayaprakash, Rajan

    2015-12-01

    Ferromagnetic PANI containing MnCoFe2O4 nanocomposites were synthesized by in-situ chemical polymerization of aniline incorporated MnCoFe2O4 nanoparticles (20%, 10% w/w of fine powders) with and without ultrasonic treatment. The MnCoFe2O4 nanoparticles were synthesized by auto combustion method. The PANI/MnCoFe2O4 nanocomposites were characterized with Fourier transform infrared (FTIR), X-ray diffraction (XRD), Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM). The average particle size of the resulting PANI/MnCoFe2O4 nanocomposites was confirmed from the TEM and XRD analysis. The structure and morphology of the composites were confirmed by FT-IR spectroscopy, XRD and SEM. In addition, the electrical and magnetic properties of the nanocomposites were investigated. The PANI/MnCoFe2O4 nanocomposites under applied magnetic field exhibited the hysteresis loops of ferromagnetic nature at room temperature. The variation of Dielectric constant, Dielectric loss, and AC conductivity of PANI/MnCoFe2O4 nanocomposites at room temperature as a function of frequency in the range 50 Hz-5 MHz has been studied. Effect of ultrasonication on the PANI/MnCoFe2O4 nanocomposites was also investigated.

  18. Observations on the formation of [var epsilon] martensite in an Fe-23. 2%Mn alloy

    SciTech Connect

    Akguen, I.; Durlu, T.N. . Dept. of Physics)

    1994-11-15

    In Fe-Mn binary alloys the formation behavior of [var epsilon] martensite is quite sensitive to the Mn percentage and although both [var epsilon] and [alpha][prime] type martensites are formed in low Mn alloys, mostly [gamma] [yields] [var epsilon] transformation occur as the Mn concentration is increased. The present study was undertaken to examine the formation of thermally induced and also strain-induced [var epsilon] martensites, and their intersections in a Fe-23.2%Mn alloy by using transmission electron microscopy techniques.

  19. Exchange bias of Ni nanoparticles embedded in an antiferromagnetic IrMn matrix

    NASA Astrophysics Data System (ADS)

    Kuerbanjiang, Balati; Wiedwald, Ulf; Haering, Felix; Biskupek, Johannes; Kaiser, Ute; Ziemann, Paul; Herr, Ulrich

    2013-11-01

    The magnetic properties of Ni nanoparticles (Ni-NPs) embedded in an antiferromagnetic IrMn matrix were investigated. The Ni-NPs of 8.4 nm mean diameter were synthesized by inert gas aggregation. In a second processing step, the Ni-NPs were in situ embedded in IrMn films or SiOx films under ultrahigh vacuum (UHV) conditions. Findings showed that Ni-NPs embedded in IrMn have an exchange bias field HEB = 821 Oe at 10 K, and 50 Oe at 300 K. The extracted value of the exchange energy density is 0.06 mJ m-2 at 10 K, which is in good accordance with the results from multilayered thin film systems. The Ni-NPs embedded in SiOx did not show exchange bias. As expected for this particle size, they are superparamagnetic at T = 300 K. A direct comparison of the Ni-NPs embedded in IrMn or SiOx reveals an increase of the blocking temperature from 210 K to around 400 K. The coercivity of the Ni-NPs exchange coupled to the IrMn matrix at 10 K is 8 times larger than the value for Ni-NPs embedded in SiOx. We studied time-dependent remanent magnetization at different temperatures. The relaxation behavior is described by a magnetic viscosity model which reflects a rather flat distribution of energy barriers. Furthermore, we investigated the effects of different field cooling processes on the magnetic properties of the embedded Ni-NPs. Exchange bias values fit to model calculations which correlate the contribution of the antiferromagnetic IrMn matrix to its grain size.

  20. Exchange bias of Ni nanoparticles embedded in an antiferromagnetic IrMn matrix.

    PubMed

    Kuerbanjiang, Balati; Wiedwald, Ulf; Haering, Felix; Biskupek, Johannes; Kaiser, Ute; Ziemann, Paul; Herr, Ulrich

    2013-11-15

    The magnetic properties of Ni nanoparticles (Ni-NPs) embedded in an antiferromagnetic IrMn matrix were investigated. The Ni-NPs of 8.4 nm mean diameter were synthesized by inert gas aggregation. In a second processing step, the Ni-NPs were in situ embedded in IrMn films or SiOx films under ultrahigh vacuum (UHV) conditions. Findings showed that Ni-NPs embedded in IrMn have an exchange bias field HEB = 821 Oe at 10 K, and 50 Oe at 300 K. The extracted value of the exchange energy density is 0.06 mJ m(-2) at 10 K, which is in good accordance with the results from multilayered thin film systems. The Ni-NPs embedded in SiOx did not show exchange bias. As expected for this particle size, they are superparamagnetic at T = 300 K. A direct comparison of the Ni-NPs embedded in IrMn or SiOx reveals an increase of the blocking temperature from 210 K to around 400 K. The coercivity of the Ni-NPs exchange coupled to the IrMn matrix at 10 K is 8 times larger than the value for Ni-NPs embedded in SiOx. We studied time-dependent remanent magnetization at different temperatures. The relaxation behavior is described by a magnetic viscosity model which reflects a rather flat distribution of energy barriers. Furthermore, we investigated the effects of different field cooling processes on the magnetic properties of the embedded Ni-NPs. Exchange bias values fit to model calculations which correlate the contribution of the antiferromagnetic IrMn matrix to its grain size. PMID:24141385

  1. First-principles computation of structural, elastic and magnetic properties of Ni2FeGa across the martensitic transformation.

    PubMed

    Sahariah, Munima B; Ghosh, Subhradip; Singh, Chabungbam S; Gowtham, S; Pandey, Ravindra

    2013-01-16

    The structural stabilities, elastic, electronic and magnetic properties of the Heusler-type shape memory alloy Ni(2)FeGa are calculated using density functional theory. The volume conserving tetragonal distortion of the austenite Ni(2)FeGa find an energy minimum at c/a = 1.33. Metastable behaviour of the high temperature cubic austenite phase is predicted due to elastic softening in the [110] direction. Calculations of the total and partial magnetic moments show a dominant contribution from Fe atoms of the alloy. The calculated density of states shows a depression in the minority spin channel of the cubic Ni(2)FeGa just above the Fermi level which gets partially filled up in the tetragonal phase. In contrast to Ni(2)MnGa, the transition metal spin-down states show partial hybridization in Ni(2)FeGa and there is a relatively high electron density of states near the Fermi level in both phases. PMID:23186622

  2. Effect of phosphate and sulfate on Ni repartitioning during Fe(II)-catalyzed Fe(III) oxide mineral recrystallization

    NASA Astrophysics Data System (ADS)

    Hinkle, Margaret A. G.; Catalano, Jeffrey G.

    2015-09-01

    Dissolved Fe(II) activates coupled oxidative growth and reductive dissolution of Fe(III) oxide minerals, causing recrystallization and the repartitioning of structurally-compatible trace metals. Phosphate and sulfate, two ligands common to natural aquatic systems, alter Fe(II) adsorption onto Fe(III) oxides and affect Fe(III) oxide dissolution and precipitation. However, the effect of these oxoanions on trace metal repartitioning during Fe(II)-catalyzed Fe(III) oxide recrystallization is unclear. The effects of phosphate and sulfate on Ni adsorption and Ni repartitioning during Fe(II)-catalyzed Fe(III) oxide recrystallization were investigated as such repartitioning may be affected by both Fe(II)-oxoanion and metal-oxoanion interactions. In most systems examined, phosphate alters Ni repartitioning during Fe(II)-catalyzed recrystallization to a larger extent than sulfate. Phosphate substantially enhances Ni adsorption onto hematite but decreases (nearly inhibiting) Fe(II)-catalyzed Ni incorporation into and release from this mineral. In the goethite system, however, phosphate suppresses Ni release but enhances Ni incorporation in the presence of aqueous Fe(II). In contrast, sulfate has little effect on macroscopic Ni adsorption and release of Ni from Fe(III) oxides, but substantially enhances Ni incorporation into goethite. This demonstrates that phosphate and sulfate have unique, mineral-specific interactions with Ni during Fe(II)-catalyzed Fe(III) oxide recrystallization. This research suggests that micronutrient bioavailability at redox interfaces in hematite-dominated systems may be especially suppressed by phosphate, while both oxoanions likely have limited effects in goethite-rich soils or sediments. Phosphate may also exert a large control on contaminant fate at redox interfaces, increasing Ni retention on iron oxide surfaces. These results further indicate that trace metal retention by iron oxides during lithification and later repartitioning during

  3. Growth in solution of hooked Ni-Fe fibers by oriented rotation and attachment approaches

    NASA Astrophysics Data System (ADS)

    Zhang, Yong; Liu, Fang; Zhang, Wei-ze

    2016-04-01

    Inspired by the curved branches of fractal trees, hooked Ni-Fe fibers were grown in situ in Ni-Fe composite coatings on a spheroidal graphite cast iron substrate. These hooked Ni-Fe fibers exhibited inclination angles of about 39°, which was in accordance with the theoretical prediction of 37°. Ni-Fe nanostructures self-assembled to form dendrites and evolved into hooked fibers by an oriented attachment reaction. The orientation rotation of Ni-Fe nanostructures played an important role in the growth of curved hooked Ni-Fe fibers. During sliding wear tests, the volume loss of the spheroidal graphite cast iron substrate was 2.2 times as large as that of the Ni-Fe coating reinforced by hooked fibers. The good load-transferring ability of hooked Ni-Fe fibers led to an improvement in their wear properties during wear tests.

  4. Application of damping mechanism model and stacking fault probability in Fe-Mn alloy

    SciTech Connect

    Huang, S.K.; Wen, Y.H.; Li, N. Teng, J.; Ding, S.; Xu, Y.G.

    2008-06-15

    In this paper, the damping mechanism model of Fe-Mn alloy was analyzed using dislocation theory. Moreover, as an important parameter in Fe-Mn based alloy, the effect of stacking fault probability on the damping capacity of Fe-19.35Mn alloy after deep-cooling or tensile deformation was also studied. The damping capacity was measured using reversal torsion pendulum. The stacking fault probability of {gamma}-austenite and {epsilon}-martensite was determined by means of X-ray diffraction (XRD) profile analysis. The microstructure was observed using scanning electronic microscope (SEM). The results indicated that with the strain amplitude increasing above a critical value, the damping capacity of Fe-19.35Mn alloy increased rapidly which could be explained using the breakaway model of Shockley partial dislocations. Deep-cooling and suitable tensile deformation could improve the damping capacity owning to the increasing of stacking fault probability of Fe-19.35Mn alloy.

  5. Study of magnetic properties in ball-milled MnFeCo

    NASA Astrophysics Data System (ADS)

    Cornejo, D. R.; Padrón Hernández, E.; Rechenberg, H. R.; Azevedo, A.; Rezende, S. M.

    2004-05-01

    A study of the magnetic properties in mechanical alloyed nanocrystalline MnO+FeCo was carried out. As-milled and annealed samples show a noticeable improvement of the coercivity, even at room temperature. A strong effect over the spin wave stiffness constant of the ferromagnetic α -FeCo, probably induced by the antiferromagnetic ordering of the MnO around to 120K (the Néel temperature of MnO) was observed.

  6. Effect of boron on the fracture behavior and grain boundary chemistry of Ni3Fe

    SciTech Connect

    Liu, Y.; Liu, Chain T; Heatherly Jr, Lee; George, Easo P

    2011-01-01

    The effect of B on the fracture behavior of Ni{sub 3}Fe alloys (24 and 26 at.% Fe) was studied after cathodic charging with hydrogen. In contrast to its disordered state, ordered Ni{sub 3}Fe underwent brittle intergranular fracture at room temperature. Boron addition changed its fracture mode to predominantly ductile transgranular. The grain boundary chemistry of ordered Ni{sub 3}Fe was analyzed by Auger electron spectroscopy. Boron was found to segregate to the grain boundaries of both Ni-24Fe and Ni-26Fe and reduce the hydrogen-induced embrittlement of these alloys in the ordered state.

  7. Magnetic Properties of FeNi-Based Thin Film Materials with Different Additives.

    PubMed

    Liang, Cai; Gooneratne, Chinthaka P; Wang, Qing Xiao; Liu, Yang; Gianchandani, Yogesh; Kosel, Jurgen

    2014-09-01

    This paper presents a study of FeNi-based thin film materials deposited with Mo, Al and B using a co-sputtering process. The existence of soft magnetic properties in combination with strong magneto-mechanical coupling makes these materials attractive for sensor applications. Our findings show that FeNi deposited with Mo or Al yields magnetically soft materials and that depositing with B further increases the softness. The out-of-plane magnetic anisotropy of FeNi thin films is reduced by depositing with Al and completely removed by depositing with B. The effect of depositing with Mo is dependent on the Mo concentration. The coercivity of FeNiMo and FeNiAl is reduced to less than a half of that of FeNi, and a value as low as 40 A/m is obtained for FeNiB. The surfaces of the obtained FeNiMo, FeNiAl and FeNiB thin films reveal very different morphologies. The surface of FeNiMo shows nano-cracks, while the FeNiAl films show large clusters and fewer nano-cracks. When FeNi is deposited with B, a very smooth morphology is obtained. The crystal structure of FeNiMo strongly depends on the depositant concentration and changes into an amorphous structure at a higher Mo level. FeNiAl thin films remain polycrystalline, even at a very high concentration of Al, and FeNiB films are amorphous, even at a very low concentration of B. PMID:25587418

  8. The distribution of Fe and Mn between chlorite and fluid: Evidence from fluid inclusions

    SciTech Connect

    Bottrell, S.H.; Yardley, B.W.D. )

    1991-01-01

    The Fe/Mn ratio of fluid inclusions from low-grade metamorphic quartz veins has been analyzed by an improved crush-leach method. When compared with Fe and Mn in coexisting vein chlorites, exchange between fluid and chlorite is shown to vary with the redox state of the wall rocks, but is independent of the salinity of the fluid. Agreement between our results and theoretical predictions of Fe/Mn partitioning between fluid and chlorite are good for veins from relatively oxidized rocks, but vein fluids from reduced hosts are enriched in Fe.

  9. Mesoporous MFe{sub 2}O{sub 4} (M = Mn, Co, and Ni) for anode materials of lithium-ion batteries: Synthesis and electrochemical properties

    SciTech Connect

    Duan, Lianfeng; Wang, Yuanxin; Wang, Linan; Zhang, Feifei; Wang, Limin

    2015-01-15

    Highlights: • MFe{sub 2}O{sub 4} (M = Mn, Co, and Ni) are synthesized by a template-free hydrothermal method. • The mesoporous morphology is formed by self-assembly of crystal nucleus. • The mesporous MnFe{sub 2}O{sub 4} have the active phase and the synergy for Li-ion storage. - Abstract: The MFe{sub 2}O{sub 4} (M = Mn, Co, and Ni) mesoporous spheres with an average diameter of 250 nm were synthesized through a template-free hydrothermal method. The mesoporous MnFe{sub 2}O{sub 4} with a large surface area of 87.5 m{sup 2}/g and an average pore size of 27.52 nm were obtained. As the anode materials for Li-ion batteries, the mesoporous MnFe{sub 2}O{sub 4} exhibits excellent initial charge and discharge capacities of 1010 and 642.5 mA h/g. After 50 cycles, the discharge capacity could still remain at 379 mA h/g. The results showed that the active phase and the synergy between different metal oxides greatly improved the electrochemical performance, and the mesoporous composite could stabilize the structure of the electrodes.

  10. The synthesis of open-shell, bimetallic Mn/Fe trinuclear clusters

    PubMed Central

    Powers, Tamara M.; Gu, Nina; Fout, Alison R.; Baldwin, Anne M.; Sánchez, Raúl Hernández; Alfonso, Denise M.; Chen, Yu-Sheng; Zheng, Shao-Liang

    2013-01-01

    Concomitant deprotonation and metallation of hexadentate ligand platform tbsLH6 (tbsLH6 = 1,3,5-C6H9(NHC6H4-o-NHSiMe2 tBu)3) with divalent transition metal starting materials Fe2(Mes)4 (Mes = mesityl) or Mn3(Mes)6 in the presence of tetrahydrofuran (THF) resulted in isolation of homotrinuclear complexes (tbsL)Fe3(THF) and (tbsL)Mn3(THF) respectively. In the absence of coordinating solvent (THF) the deprotonation and metallation exclusively afforded dinuclear complexes of the type (tbsLH2)M2 (M = Fe or Mn). The resulting dinuclear species were utilized as synthons to prepare bimetallic trinuclear clusters. Treatment of (tbsLH2)Fe2 complex with divalent Mn source (Mn2(N(SiMe3)2)4) afforded the bimetallic complex (tbsL)Fe2Mn(THF) which established the ability of hexamine ligand tbsLH6 to support mixed metal clusters. The substitutional homogeneity of (tbsL)Fe2Mn(THF) was determined by 1H NMR, 57Fe Mössbauer, and X-ray fluorescence. Anomalous scattering measurements were critical for the unambiguous assignment of the trinuclear core composition. Heating a solution of (tbsLH2)Mn2 with a stoichiometric amount of Fe2(Mes)4 (0.5 mol equiv) affords a mixture of both (tbsL)Mn2Fe(THF) and (tbsL)Fe2Mn(THF) as a result of the thermodynamic preference for heavier metal substitution within the hexa-anilido ligand framework. These results demonstrate for the first time the assembly of mixed metal cluster synthesis in an unbiased ligand platform. PMID:23984911

  11. Interdiffusion in nanometric Fe/Ni multilayer films

    SciTech Connect

    Liu, Jiaxing Barmak, Katayun

    2015-03-15

    [Fe (3.1 nm)/Ni (3.3 nm)]{sub 20} multilayer films were prepared by DC magnetron sputtering onto oxidized Si(100) substrates. The Fe and Ni layers were shown to both be face-centered cubic by x-ray diffraction. Interdiffusion of the Fe and Ni layers in the temperature range of 300–430 °C was studied by x-ray reflectivity. From the decay of the integral intensity of the superlattice peak, the activation energy and the pre-exponential term for the effective interdiffusion coefficient were determined as to 1.06 ± 0.07 eV and 5 × 10{sup −10} cm{sup 2}/s, respectively. The relevance of the measured interdiffusion coefficient to the laboratory timescale synthesis of L1{sub 0} ordered FeNi as a rare-earth free permanent magnet is discussed.

  12. Directional short range order in L10 FeMnPt magnetic thin films

    NASA Astrophysics Data System (ADS)

    Sun, Cheng-Jun; Xu, Dongbin; Heald, Steve M.; Chen, Jingsheng; Chow, Gan-Moog

    2011-10-01

    A method for investigating the directional short range order (DSRO) of an element of interest in L10 FeMnPt thin films using polarization-dependent x-ray absorption near edge structure (XANES) spectroscopy is described. The XANES calculations for both L10 FePt and L10 MnPt phases indicate that the height of the low-energy shoulder of the polarization-dependent XANES is proportional to the degree of DSRO of the element of interest in the case of L10 FePt and MnPt systems. The experimentally observed DSROs of Fe and Mn in L10 FeMnPt magnetic thin films are consistent with a decrease of ordering parameter with increasing Mn doping. We demonstrate theoretically and experimentally that the heights of the low-energy shoulder in the FeK- and MnK-edge polarization-dependent XANES are proportional to the DSROs of Fe and Mn, respectively.

  13. Room temperature ferromagnetism in Mn-doped NiO nanoparticles

    NASA Astrophysics Data System (ADS)

    Layek, Samar; Verma, H. C.

    2016-01-01

    Mn-doped NiO nanoparticles of the series Ni1-xMnxO (x=0.00, 0.02, 0.04 and 0.06) are successfully synthesized using a low temperature hydrothermal method. Samples up to 6% Mn-doping are single phase in nature as observed from powder x-ray diffraction (XRD) studies. Rietveld refinement of the XRD data shows that all the single phase samples crystallize in the NaCl like fcc structure with space group Fm-3m. Unit cell volume decreases with increasing Mn-doping. Pure NiO nanoparticles show weak ferromagnetism, may be due to nanosize nature. Introduction of Mn within NiO lattice improves the magnetic properties significantly. Room temperature ferromagnetism is found in all the doped samples whereas the magnetization is highest for 2% Mn-doping and then decreases with further doping. The ZFC and FC branches in the temperature dependent magnetization separate well above 350 K indicating transition temperature well above room temperature for 2% Mn-doped NiO Nanoparticle. The ferromagnetic Curie temperature is found to be 653 K for the same sample as measured by temperature dependent magnetization study using vibrating sample magnetometer (VSM) in high vacuum.

  14. Effect of Ni content on microwave absorbing properties of MnAl powder

    NASA Astrophysics Data System (ADS)

    Wang, Zhen-zhong; Lin, Pei-hao; Huang, Wei-chao; Pan, Shun-kang; Liu, Ye; Wang, Lei

    2016-09-01

    MnAlNi powder was prepared by the process of vacuum levitation melting and high-energy ball milling, The morphology and phase structure of the powder were analyzed by Scanning Electron Microscope(SEM), X-ray diffraction(XRD) and the effect of the Ni content on microwave absorbing properties of MnAl powder was investigated by an vector network analyzer. The addition of Ni, which improved the microwave absorbing properties of MnAl powder but not changed the composition of Al8Mn5 alloy. The minimum reflectivity of (Al8Mn5)0.95Ni0.05 powder with a coating thickness (d) of 1.8 mm was about -40.8 dB and has better bandwidth effect, the absorbing mechanism of AlMnNi powders on the electromagnetic was related to the electromagnetic loss within the absorbing coatings and the effect of coating thickness on the interference loss of electromagnetic wave.

  15. Degradation behavior of biodegradable Fe35Mn alloy stents.

    PubMed

    Sing, N B; Mostavan, A; Hamzah, E; Mantovani, D; Hermawan, H

    2015-04-01

    This article reports a degradation study that was done on stent prototypes made of biodegradable Fe35Mn alloy in a simulated human coronary arterial condition. The stent degradation was observed for a short-term period from 0.5 to 168 h, which simulates the early period of stenting procedure. Potentiodynamic polarization and electrochemical impedance spectroscopy were used to quantify degradation rate and surface property of the stents. Results showed that signs of degradation were visible on both crimped and expanded stents after 1 h of test, mostly located on the stent's curvatures. The degradation rate of stent was higher compared to that of the original alloy, indicating the surface altering effect of stent fabrication processing to degradation. A single oxide layer was formed and detected as a porous structure with capacitive behavior. Expanded stents exhibited lower polarization resistance compared to the nonexpanded ones, indicating the cold work effect of expansion procedure to degradation. PMID:24954069

  16. Local structure study of Fe dopants in Ni-deficit Ni3Al alloys

    DOE PAGESBeta

    V. N. Ivanovski; Umicevic, A.; Belosevic-Cavor, J.; Lei, Hechang; Li, Lijun; Cekic, B.; Koteski, V.; Petrovic, C.

    2015-08-24

    We found that the local electronic and magnetic structure, hyperfine interactions, and phase composition of polycrystalline Ni–deficient Ni 3-x FexAl (x = 0.18 and 0.36) were investigated by means of 57 Fe Mössbauer spectroscopy. The samples were characterized by X–ray diffraction and magnetization measurements. The ab initio calculations performed with the projector augmented wave method and the calculations of the energies of iron point defects were done to elucidate the electronic structure and site preference of Fe doped Ni 3 Al. Moreover, the value of calculated electric field gradient tensor Vzz=1.6 1021Vm-2 matches well with the results of Mössbauer spectroscopymore » and indicates that the Fe atoms occupy Ni sites.« less

  17. Synthesis of Mn1-xZnxFe2O4 ferrite powder by co-precipitation method

    NASA Astrophysics Data System (ADS)

    Irfan, Salma; Ajaz-un-Nabi, M.; Jamil, Yasir; Amin, Nasir

    2014-06-01

    Ferrimagnetic substances referred to as ferrites are ionic crystals whose chemical composition is of the form XFe2 O4 where X signifies a divalent metal. Magnetic Nano sized ferrites have found a significant potential in many applications, such as magnetic recording media, Ferro fluids and radar absorbing coating. Ferrites are widely used in many industrial applications due to their spontaneous magnetization. Soft ferrites of Mn-Zn, Ni-Zn and Mg-Mn are well known for their high magnetic permeability. In the present research work we have prepared fine Mn1-xZnxFe2O4 ferrite powder with varying x concentrations (0.25-0.75) by metal chloride precursors through a co-precipitation technique by pipette drop method using aqueous NaOH solution for comparing their spontaneous magnetization and particle size. The co-precipitation technique is a high way to produce chemically homogeneous powder with fine particle size in nanometers (22.5nm-74.5nm).The effect of x-concentration on the particle size of the Mn(1-x) Zn(x) ferrite has been discussed on the basis of XRD. The crystalline phases have been identified by X-ray diffraction with Cu-Kα radiations. The XRD patterns have verified that the specimen has spinal type structure. The observable peaks are broad since the size of the particles is small. We have concluded that at constants temperature particle size increases with increasing x-concentrations. Effect of different concentrations of x (Zn+2) on the spontaneous magnetization of different Mn(1-x) Zn(x) Fe2O4 sample is determined. We have reached the conclusion that all the samples of Mn(1-x) Zn(x) Fe2 O4 ferrites were magnetic either of low or high magnetization. The maximum spontaneous magnetization and minimum particle size is obtained at x=0.25 (at digestion temperature=65°C).

  18. Boric acid flux synthesis, structure and magnetic property of MB12O14(OH)10 (M=Mn, Fe, Zn)

    NASA Astrophysics Data System (ADS)

    Yang, Dingfeng; Cong, Rihong; Gao, Wenliang; Yang, Tao

    2013-05-01

    Three new borates MB12O14(OH)10 (M=Mn, Fe, Zn) have been synthesized by boric acid flux methods, which are isotypic to NiB12O14(OH)10. Single-crystal XRD was performed to determine the crystal structures in detail. They all crystallize in the monoclinic space group P21/c. The size of MO6 (M=Mg, Mn, Fe, Co, Ni, Zn) octahedron shows a good agreement with the Shannon effective ionic radii of M2+. Magnetic measurements indicate MnB12O14(OH)10 is antiferromagnetic without a long-range ordering down to 2 K. The values of its magnetic superexchange constants were evaluated by DFT calculations, which explain the observed magnetic behavior. The UV-vis diffuse reflectance spectrum of ZnB12O14(OH)10 suggests a band gap ˜4.6 eV. DFT calculations indicate it has a direct band gap 4.9 eV. The optical band gap is contributed by charge transfers from the occupied O 2p to the unoccupied Zn 4s states.

  19. Photosensitivity of the Ni-A state of [NiFe] hydrogenase from Desulfovibrio vulgaris Miyazaki F with visible light

    SciTech Connect

    Osuka, Hisao; Shomura, Yasuhito; Komori, Hirofumi; Shibata, Naoki; Nagao, Satoshi; Higuchi, Yoshiki; Hirota, Shun

    2013-01-04

    Highlights: Black-Right-Pointing-Pointer Ni-A state of [NiFe] hydrogenase showed light sensitivity. Black-Right-Pointing-Pointer New FT-IR bands were observed with light irradiation of the Ni-A state. Black-Right-Pointing-Pointer EPR g-values of the Ni-A state shifted upon light irradiation. Black-Right-Pointing-Pointer The light-induced state converted back to the Ni-A state under the dark condition. -- Abstract: [NiFe] hydrogenase catalyzes reversible oxidation of molecular hydrogen. Its active site is constructed of a hetero dinuclear Ni-Fe complex, and the oxidation state of the Ni ion changes according to the redox state of the enzyme. We found that the Ni-A state (an inactive unready, oxidized state) of [NiFe] hydrogenase from Desulfovibrio vulgaris Miyazaki F (DvMF) is light sensitive and forms a new state (Ni-AL) with irradiation of visible light. The Fourier transform infrared (FT-IR) bands at 1956, 2084 and 2094 cm{sup -1} of the Ni-A state shifted to 1971, 2086 and 2098 cm{sup -1} in the Ni-AL state. The g-values of g{sub x} = 2.30, g{sub y} = 2.23 and g{sub z} = 2.01 for the signals in the electron paramagnetic resonance (EPR) spectrum of the Ni-A state at room temperature varied for -0.009, +0.012 and +0.010, respectively, upon light irradiation. The light-induced Ni-AL state converted back immediately to the Ni-A state under dark condition at room temperature. These results show that the coordination structure of the Fe site of the Ni-A state of [NiFe] hydrogenase is perturbed significantly by light irradiation with relatively small coordination change at the Ni site.

  20. Dilute ferrimagnetism of ilmenites Mn3FeTiSbO9 and Mn4FeTi2SbO12

    NASA Astrophysics Data System (ADS)

    Bazuev, G. V.; Korolev, A. V.; Golovkin, B. G.

    2016-07-01

    Metastable solid solutions (SS) Mn3FeTiSbO9 and Mn4FeTi2SbO12 with the ilmenite structure (space group R bar 3) have been prepared by quenching at normal conditions. The compositions of the compounds have been justified using EDX spectroscopy and X-ray diffraction. The magnetic properties of SSs have been analyzed by comparison with ferrimagnetic ilmenite Mn2FeSbO6 ( T N = 269 K) as a natural mineral and ceramics obtained at high pressure and high temperature. The solid solutions have been characterized as dilute magnetic systems formed as a result of substitution of nonmagnetic cations Ti4+ for a part of Fe3+ and Sb5+ cations. Mn3FeTiSbO9 is considered as a ferromagnetic with T N = 171 K and Mn4FeTi2SbO12 as a magnetic with the concentration of magnetic clusters below the percolation threshold.

  1. Melting of Fe and Fe0.9Ni0.1 alloy at high pressures

    NASA Astrophysics Data System (ADS)

    Zhang, D.; Jackson, J. M.; Zhao, J.; Sturhahn, W.; Alp, E. E.; Hu, M. Y.; Toellner, T.

    2014-12-01

    Cosmochemical studies suggest that the cores of terrestrial planets are primarily composed of Fe alloyed with about 5 to 10 wt% Ni, plus some light elements (e.g., McDonough and Sun 1995). Thus, the high pressure melting curve of Fe0.9Ni0.1 is considered to be an important reference for characterizing the cores of terrestrial planets. We have determined the melting points of fcc-structured Fe and Fe0.9Ni0.1 up to 86 GPa using an in-situ method that monitors the atomic dynamics of the Fe atoms in the sample, synchrotron Mössbauer spectroscopy (Jackson et al. 2013). A laser heated diamond anvil cell is used to provide the high pressure-high temperature environmental conditions, and in-situ X-ray diffraction is used to constrain the pressure of the sample. To eliminate the influence of temperature fluctuations experienced by the sample on the determination of melting, we develop a Fast Temperature Readout (FasTeR) spectrometer. The FasTeR spectrometer features a fast reading rate (>100 Hz), a high sensitivity, a large dynamic range and a well-constrained focus. By combining the melting curve of fcc-structured Fe0.9Ni0.1 alloy determined in our study and the fcc-hcp phase boundary from Komabayashi et al. (2012), we calculate the fcc-hcp-liquid triple point of Fe0.9Ni0.1. Using this triple point and the thermophysical parameters from a nuclear resonant inelastic X-ray scattering study on hcp-Fe (Murphy et al. 2011), we compute the melting curve of hcp-structured Fe0.9Ni0.1. We will discuss our new experimental results with implications for the cores of Venus, Earth and Mars. Select references: McDonough & Sun (1995): The composition of the Earth. Chem. Geol. 120, 223-253. Jackson et al. (2013): Melting of compressed iron by monitoring atomic dynamics, EPSL, 362, 143-150. Komabayashi et al. (2012): In situ X-ray diffraction measurements of the fcc-hcp phase transition boundary of an Fe-Ni alloy in an internally heated diamond anvil cell, PCM, 39, 329-338. Murphy et al

  2. Improvement of in-plane anisotropy field in FeCoB/NiFe/Si thin films by Kr sputtering

    NASA Astrophysics Data System (ADS)

    Hashimoto, A.; Ito, S.; Nakagawa, S.

    2007-03-01

    Deterioration of magnetic anisotropy field in the FeCoB/NiFe/Si trilayers deposited on glass substrates was investigated. It was found that the choice of Kr as sputtering gas instead of Ar was quite effective to improve the soft magnetic characteristics of FeCoB/NiFe/Si thin films deposited on glass substrates. Kr sputtering is effective to reduce compressive residual stress in the film. The rotatable magnetic anisotropy observed in the FeCoB/NiFe/Si films deposited by Ar sputtering disappeared in the film deposited by Kr sputtering, even though they are prepared on glass disk substrates.

  3. Microwave irradiated Ni-MnOx/C as an electrocatalyst for methanol oxidation in KOH solution for fuel cell application

    NASA Astrophysics Data System (ADS)

    Hameed, R. M. Abdel

    2015-12-01

    Ni-MnOx/C electrocatalyst was synthesized by the reduction of nickel precursor salt on MnOx/C powder using NaBH4 and the deposition process was motivated with the aid of microwave irradiation. Finer nickel nanoparticles were detected in Ni-MnOx/C using transmission electron microscopy with a lower particle size of 4.5 nm compared to 6 nm in Ni/C. Cyclic voltammetry, chronoamperometry and electrochemical impedance spectroscopy (EIS) were applied to study the electrocatalytic activity of Ni-MnOx/C for methanol oxidation in 0.5 M KOH solution. The presence of 7.5 wt.% MnOx in Ni-MnOx/C enhanced the oxidation current density by 1.43 times. The catalytic rate constant of methanol oxidation at Ni-MnOx/C was calculated as 3.26 × 103 cm3 mol-1 s-1. An appreciable shift in the maximum frequency at the transition from the resistive to capacitive regions to a higher value in Bode plots of Ni-MnOx/C was shown when compared to Ni/C. It was accompanied by lowered phase angle values. The lowered Warburg impedance value (W) of Ni-MnOx/C at 400 mV confirmed the faster methanol diffusion rate at its surface.

  4. Fe content effects on electrochemical properties of Fe-substituted Li 2MnO 3 positive electrode material

    NASA Astrophysics Data System (ADS)

    Tabuchi, Mitsuharu; Nabeshima, Yoko; Takeuchi, Tomonari; Tatsumi, Kuniaki; Imaizumi, Junichi; Nitta, Yoshiaki

    Fe-substituted Li 2MnO 3 including a monoclinic layered rock-salt structure (C2/ m), (Li 1+ x(Fe yMn 1- y) 1- xO 2, 0 < x < 1/3, 0.1 ≤ y ≤ 0.5) was prepared by coprecipitation-hydrothermal-calcination method. The sample was assigned as two-phase composite structure consisting of the cubic rock-salt (F m 3 bar m) and monoclinic ones at high Fe content above 30% (y ≥ 0.3), while the sample was assigned as a monoclinic phase (C2 /m) at low Fe content less than 20%. In the monoclinic Li 2MnO 3-type structure, the Fe ion tends to substitute a Li (2 b) site, which corresponds to a center position of Mn 4+ hexagonal network in Mn-Li layer. The electrochemical properties including discharge characteristics under high current density (<3600 mA g -1 at 30 °C) and low temperature (<-20 °C at 40 mA g -1) were severely affected by chemical composition (Fe content and Li/(Fe + Mn) ratio), crystal structure (monoclinic phase content) and powder property (specific surface area). Under the optimized Fe content (0.2 < y < 0.4), the Li/sample cells showed high initial discharge capacity (240-300 mAh g -1) and energy density (700-950 mWh g -1) between 1.5 and 4.8 V under moderate current density, 40 mA g -1 at 30 °C. Results suggest that Fe-substituted Li 2MnO 3 would be a non-excludable 3 V positive electrode material.

  5. Influence of substrate rocks on Fe-Mn crust composition

    USGS Publications Warehouse

    Hein, J.R.; Morgan, C.L.

    1999-01-01

    Principal Component and other statistical analyses of chemical and mineralogical data of Fe-Mn oxyhydroxide crusts and their underlying rock substrates in the central Pacific indicate that substrate rocks do not influence crust composition. Two ridges near Johnston Atoll were dredged repetitively and up to seven substrate rock types were recovered from small areas of similar water depths. Crusts were analyzed mineralogically and chemically for 24 elements, and substrates were analyzed mineralogically and chemically for the 10 major oxides. Compositions of crusts on phosphatized substrates are distinctly different from crusts on substrates containing no phosphorite. However, that relationship only indicates that the episodes of phosphatization that mineralized the substrate rocks also mineralized the crusts that grew on them. A two-fold increase in copper contents in crusts that grew on phosphatized clastic substrate rocks, relative to crusts on other substrate rock types, is also associated with phosphatization and must have resulted from chemical reorganization during diagenesis. Phosphatized crusts show increases in Sr, Zn, Ca, Ba, Cu, Ce, V, and Mo contents and decreases in Fe, Si, and As contents relative to non-phosphatized crusts. Our statistical results support previous studies which show that crust compositions reflect predominantly direct precipitation from seawater (hydrogenetic), and to lesser extents reflect detrital input and diagenetic replacement of parts of the older crust generation by carbonate fluorapatite.

  6. Hierachical Ni@Fe2O3 superparticles through epitaxial growth of γ-Fe2O3 nanorods on in situ formed Ni nanoplates

    NASA Astrophysics Data System (ADS)

    Tahir, Muhammad Nawaz; Herzberger, Jana; Natalio, Filipe; Köhler, Oskar; Branscheid, Robert; Mugnaioli, Enrico; Ksenofontov, Vadim; Panthöfer, Martin; Kolb, Ute; Frey, Holger; Tremel, Wolfgang

    2016-05-01

    One endeavour of nanochemistry is the bottom-up synthesis of functional mesoscale structures from basic building blocks. We report a one-pot wet chemical synthesis of Ni@γ-Fe2O3 superparticles containing Ni cores densely covered with highly oriented γ-Fe2O3 (maghemite) nanorods (NRs) by controlled reduction/decomposition of nickel acetate (Ni(ac)2) and Fe(CO)5. Automated diffraction tomography (ADT) of the Ni-Fe2O3 interface in combination with Mössbauer spectroscopy showed that selective and oriented growth of the γ-Fe2O3 nanorods on the Ni core is facilitated through the formation of a Fe0.05Ni0.95 alloy and the appearance of superstructure features that may reduce strain at the Ni-Fe2O3 interface. The common orientation of the maghemite nanorods on the Ni core of the superparticles leads to a greatly enhanced magnetization. After functionalization with a catechol-functional polyethylene glycol (C-PEG) ligand the Ni@γ-Fe2O3 superparticles were dispersible in water.One endeavour of nanochemistry is the bottom-up synthesis of functional mesoscale structures from basic building blocks. We report a one-pot wet chemical synthesis of Ni@γ-Fe2O3 superparticles containing Ni cores densely covered with highly oriented γ-Fe2O3 (maghemite) nanorods (NRs) by controlled reduction/decomposition of nickel acetate (Ni(ac)2) and Fe(CO)5. Automated diffraction tomography (ADT) of the Ni-Fe2O3 interface in combination with Mössbauer spectroscopy showed that selective and oriented growth of the γ-Fe2O3 nanorods on the Ni core is facilitated through the formation of a Fe0.05Ni0.95 alloy and the appearance of superstructure features that may reduce strain at the Ni-Fe2O3 interface. The common orientation of the maghemite nanorods on the Ni core of the superparticles leads to a greatly enhanced magnetization. After functionalization with a catechol-functional polyethylene glycol (C-PEG) ligand the Ni@γ-Fe2O3 superparticles were dispersible in water. Electronic supplementary

  7. Engineering of high performance supercapacitor electrode based on Fe-Ni/Fe2O3-NiO core/shell hybrid nanostructures

    NASA Astrophysics Data System (ADS)

    Singh, Ashutosh K.; Mandal, Kalyan

    2015-03-01

    The present work reports on fabrication and supercapacitor applications of a core/shell Fe-Ni/Fe2O3-NiO hybrid nanostructures (HNs) electrode. The core/shell Fe-Ni/Fe2O3-NiO hybrid nanostructures have been fabricated through a two step method (nanowire fabrication and their controlled oxidation). The 1D hybrid nanostructure consists of highly porous shell layer (redox active materials NiO and Fe2O3) and the conductive core (FeNi nanowire). Thus, the highly porous shell layer allows facile electrolyte diffusion as well as faster redox reaction kinetics; whereas the conductive FeNi nanowire core provides the proficient express way for electrons to travel to the current collector, which helps in the superior electrochemical performance. The core/shell Fe-Ni/Fe2O3-NiO hybrid nanostructures electrode based supercapacitor shows very good electrochemical performances in terms of high specific capacitance nearly 1415 F g-1 at a current density of 2.5 A g-1, excellent cycling stability and rate capability. The high quality electrochemical performance of core/shell hybrid nanostructures electrode shows its potential as an alternative electrode for forthcoming supercapacitor devices.

  8. Engineering of high performance supercapacitor electrode based on Fe-Ni/Fe{sub 2}O{sub 3}-NiO core/shell hybrid nanostructures

    SciTech Connect

    Singh, Ashutosh K. E-mail: aksingh@bose.res.in; Mandal, Kalyan

    2015-03-14

    The present work reports on fabrication and supercapacitor applications of a core/shell Fe-Ni/Fe{sub 2}O{sub 3}-NiO hybrid nanostructures (HNs) electrode. The core/shell Fe-Ni/Fe{sub 2}O{sub 3}-NiO hybrid nanostructures have been fabricated through a two step method (nanowire fabrication and their controlled oxidation). The 1D hybrid nanostructure consists of highly porous shell layer (redox active materials NiO and Fe{sub 2}O{sub 3}) and the conductive core (FeNi nanowire). Thus, the highly porous shell layer allows facile electrolyte diffusion as well as faster redox reaction kinetics; whereas the conductive FeNi nanowire core provides the proficient express way for electrons to travel to the current collector, which helps in the superior electrochemical performance. The core/shell Fe-Ni/Fe{sub 2}O{sub 3}-NiO hybrid nanostructures electrode based supercapacitor shows very good electrochemical performances in terms of high specific capacitance nearly 1415 F g{sup −1} at a current density of 2.5 A g{sup −1}, excellent cycling stability and rate capability. The high quality electrochemical performance of core/shell hybrid nanostructures electrode shows its potential as an alternative electrode for forthcoming supercapacitor devices.

  9. Crystallinity of Fe-Ni Sulfides in Carbonaceous Chondrites

    NASA Technical Reports Server (NTRS)

    Zolensky, Michael E.; Ohsumi, Kazumasa; Mikouchi, Takashi; Hagiya, Kenji; Le, Loan

    2008-01-01

    The main long-term goal of this research is to understand the physical conditions in the early solar nebula through the detailed characterization of a key class of mineral present in all primitive materials: Fe-Ni sulfides [1&2]. Fe-Ni sulfides can take dozens of structures, depending on the temperature of formation, as well as other physico-chemical factors which are imperfectly understood. Add to this the additional varying factor of Ni content, and we have a potentially sensitive cosmothermometer [3]. Unfortunately, this tool requires exact knowledge of the crystal structure of each grain being considered, and there have been few (none?) studies of the detailed structures of sulfides in chondritic materials. We report here on coordinated compositional and crystallographic investigation of Fe-Ni sulfides in diverse carbonaceous chondrites, initially Acfer 094 (the most primitive CM2 [4]) Tagish Lake (a unique type C2 [5]), a C1 lithology in Kaidun [6], Bali (oxidized CV3 [7]), and Efremovka (reduced CV3 [7]).

  10. Temperature-induced sign change of the magnetic interlayer coupling in Ni/Ni25Mn75/Ni trilayers on Cu3Au(001)

    NASA Astrophysics Data System (ADS)

    Shokr, Y. A.; Erkovan, M.; Wu, C.-B.; Zhang, B.; Sandig, O.; Kuch, W.

    2015-05-01

    We investigated the magnetic interlayer coupling between two ferromagnetic (FM) Ni layers through an antiferromagnetic (AFM) Ni25Mn75 layer and the influence of this coupling on the exchange bias phenomenon. The interlayer coupling energy of an epitaxial trilayer of 14 atomic monolayers (ML) Ni/45 ML Ni25Mn75/16 ML Ni on Cu3Au(001) was extracted from minor-loop magnetization measurements using in-situ magneto-optical Kerr effect. The interlayer coupling changes from ferromagnetic to antiferromagnetic when the temperature is increased above 300 K. This sign change is interpreted as the result of the competition between an antiparallel Ruderman-Kittel-Kasuya-Yosida (RKKY)-type interlayer coupling, which dominates at high temperature, and a stronger direct exchange coupling across the AFM layer, which is present only below the Néel temperature of the AFM layer.

  11. Electrochemical sensing behaviour of Ni doped Fe3O4 nanoparticles

    NASA Astrophysics Data System (ADS)

    Suresh, R.; Giribabu, K.; Manigandan, R.; Vijayalakshmi, L.; Stephen, A.; Narayanan, V.

    2014-01-01

    Ni doped Fe3O4 nanoparticles were synthesized by simple hydrothermal method. The prepared nanomaterials were characterized by X-ray diffraction analysis, DRS-UV-Visible spectroscopy and field emission scanning electron microscopy. The XRD confirms the phase purity of the synthesized Ni doped Fe3O4 nanoparticles. The optical property of Ni doped Fe3O4 nanoparticles were studied by DRS UV-Visible analysis. The electrochemical sensing property of pure and Ni doped Fe3O4 nanoparticles were examined using uric acid as an analyte. The obtained results indicated that the Ni doped Fe3O4 nanoparticles exhibited higher electrocatalytic activity towards uric acid.

  12. Impact of Mn on the solution enthalpy of hydrogen in austenitic Fe-Mn alloys: a first-principles study.

    PubMed

    von Appen, Jörg; Dronskowski, Richard; Chakrabarty, Aurab; Hickel, Tilmann; Spatschek, Robert; Neugebauer, Jörg

    2014-12-01

    Hydrogen interstitials in austenitic Fe-Mn alloys were studied using density-functional theory to gain insights into the mechanisms of hydrogen embrittlement in high-strength Mn steels. The investigations reveal that H atoms at octahedral interstitial sites prefer a local environment containing Mn atoms rather than Fe atoms. This phenomenon is closely examined combining total energy calculations and crystal orbital Hamilton population analysis. Contributions from various electronic phenomena such as elastic, chemical, and magnetic effects are characterized. The primary reason for the environmental preference is a volumetric effect, which causes a linear dependence on the number of nearest-neighbour Mn atoms. A secondary electronic/magnetic effect explains the deviations from this linearity. PMID:25250795

  13. Realization of magnetostructural coupling by modifying structural transitions in MnNiSi-CoNiGe system with a wide Curie-temperature window.

    PubMed

    Liu, Jun; Gong, Yuanyuan; Xu, Guizhou; Peng, Guo; Shah, Ishfaq Ahmad; Ul Hassan, Najam; Xu, Feng

    2016-01-01

    The magnetostructural coupling between structural and magnetic transitions leads to magneto-multifunctionalities of phase-transition alloys. Due to the increasing demands of multifunctional applications, to search for the new materials with tunable magnetostructural transformations in a large operating temperature range is important. In this work, we demonstrate that by chemically alloying MnNiSi with CoNiGe, the structural transformation temperature of MnNiSi (1200 K) is remarkably decreased by almost 1000 K. A tunable magnetostructural transformation between the paramagnetic hexagonal and ferromagnetic orthorhombic phase over a wide temperature window from 425 to 125 K is realized in (MnNiSi)1-x(CoNiGe)x system. The magnetic-field-induced magnetostructural transformation is accompanied by the high-performance magnetocaloric effect, proving that MnNiSi-CoNiGe system is a promising candidate for magnetic cooling refrigerant. PMID:26979284

  14. Realization of magnetostructural coupling by modifying structural transitions in MnNiSi-CoNiGe system with a wide Curie-temperature window

    PubMed Central

    Liu, Jun; Gong, Yuanyuan; Xu, Guizhou; Peng, Guo; Shah, Ishfaq Ahmad; ul Hassan, Najam; Xu, Feng

    2016-01-01

    The magnetostructural coupling between structural and magnetic transitions leads to magneto-multifunctionalities of phase-transition alloys. Due to the increasing demands of multifunctional applications, to search for the new materials with tunable magnetostructural transformations in a large operating temperature range is important. In this work, we demonstrate that by chemically alloying MnNiSi with CoNiGe, the structural transformation temperature of MnNiSi (1200 K) is remarkably decreased by almost 1000 K. A tunable magnetostructural transformation between the paramagnetic hexagonal and ferromagnetic orthorhombic phase over a wide temperature window from 425 to 125 K is realized in (MnNiSi)1−x(CoNiGe)x system. The magnetic-field-induced magnetostructural transformation is accompanied by the high-performance magnetocaloric effect, proving that MnNiSi-CoNiGe system is a promising candidate for magnetic cooling refrigerant. PMID:26979284

  15. Realization of magnetostructural coupling by modifying structural transitions in MnNiSi-CoNiGe system with a wide Curie-temperature window

    NASA Astrophysics Data System (ADS)

    Liu, Jun; Gong, Yuanyuan; Xu, Guizhou; Peng, Guo; Shah, Ishfaq Ahmad; Ul Hassan, Najam; Xu, Feng

    2016-03-01

    The magnetostructural coupling between structural and magnetic transitions leads to magneto-multifunctionalities of phase-transition alloys. Due to the increasing demands of multifunctional applications, to search for the new materials with tunable magnetostructural transformations in a large operating temperature range is important. In this work, we demonstrate that by chemically alloying MnNiSi with CoNiGe, the structural transformation temperature of MnNiSi (1200 K) is remarkably decreased by almost 1000 K. A tunable magnetostructural transformation between the paramagnetic hexagonal and ferromagnetic orthorhombic phase over a wide temperature window from 425 to 125 K is realized in (MnNiSi)1‑x(CoNiGe)x system. The magnetic-field-induced magnetostructural transformation is accompanied by the high-performance magnetocaloric effect, proving that MnNiSi-CoNiGe system is a promising candidate for magnetic cooling refrigerant.

  16. Synthesis and Properties of Cathode Materials xLi2MnO3 x (1 - x)LiMn0.3Ni0.4Co0.3O2 for Li-Ion Batteries.

    PubMed

    Li, Guomin; Wang, Zhao; Zhang, Yanling; Zhang, Lipeng; Yu, Yuanzhang

    2016-06-01

    The cathode materials xLi2MnO3 x (1 - x)LiMn0.3Ni0.4Co0.3O2 (x = 0, 0.2) for Li-Ion batteries were prepared with the help of sol-gel method using citric acid as a chelating agent. Its structural and electrochemical properties were investigated using X-ray diffractometry, scanning electron microscopy, galvanostatic charge-discharge test. Differences between electrochemical and chemical activation of the Li2MnO3 component are discussed. The results indicated that xLi2MnO3 x (1 - x)LiMn0.3Ni0.4Co0.3O2 cathode materials were successfully prepared with typical α-NaFeO2 crystal and trigonal (R3m). It was found that the changes in compositional, crystal structure and electrochemical performance depend highly on the different values of x. The (020) reflection at about 21 degrees (2θ), which is characteristic of the integrated monoclinic Li2MnO3-like component. The LiMn0.3Ni0.4Co0.3O2 peak increases significantly at about 21-24 degrees (2θ) for 0.2Li2MnO3 x 0.8LiMn0.3Ni0.4Co0.3O2. The particles with a diameter of approximately 500 nm-1 μm can be seen clearly, the products are octahedron with the smooth surface. The maximum discharge capacity of materials 0.2Li2MnO3 x 0.8LiMn0.3Ni0.4Co0.3O2 was from 253 mAh/g to 234 mAh/g, and the cycling performance was better. After 40 cycles at different current the capacity retention was 83.4%, the product has very good retention capacity. PMID:27427738

  17. Anisotropic magnetoresistance and current-perpendicular-to-plane giant magnetoresistance in epitaxial NiMnSb-based multilayers

    NASA Astrophysics Data System (ADS)

    Kwon, B.; Sakuraba, Y.; Sukegawa, H.; Li, S.; Qu, G.; Furubayashi, T.; Hono, K.

    2016-01-01

    We fabricated (001)-oriented C1b-NiMnSb epitaxial films on MgO substrate by a magnetron sputtering system and systematically investigated the structure, magnetic property, and anisotropic magnetoresistance (AMR) effect. NiMnSb film was deposited using a stoichiometric NiMnSb target which has Mn-deficient (Mn ˜ 28.7 at. %) off-stoichiometric composition ratio. We have investigated bulk spin-polarization in NiMnSb films by measuring AMR on the basis of recent study for half-metallic L21-Heusler compounds. Although the negative sign of AMR ratio, which is indicative of half-metallic nature, was observed in the single layer NiMnSb films, the magnitude of AMR ratio (-0.10% at RT) was about half of the largest value reported for half-metallic L21-Heusler compounds. The current-perpendicular-to-plane (CPP) giant magnetoresistance (GMR) devices of NiMnSb/Ag/NiMnSb show MR ratio of 13.2% at 10 K and 4.2% at 300 K, which is higher than the previous result for NiMnSb/Cu/NiMnSb CPP-GMR devices [Caballero et al., J. Magn. Magn. Mater. 198-199, 55 (1999)], but much less than the CPP-GMR using L21-Heusler electrodes. The reduction of intrinsic bulk spin-polarization originating from the Mn-deficiency in NiMnSb layer is expected to be the main reason for small MR values.

  18. Free energies of (Co, Fe, Ni, Zn)Fe2O4 spinels and oxides in water at high temperatures and pressure from density functional theory: results for stoichiometric NiO and NiFe2O4 surfaces

    NASA Astrophysics Data System (ADS)

    O'Brien, C. J.; Rák, Z.; Brenner, D. W.

    2013-11-01

    A set of effective chemical potentials (ECPs) are derived that connect energies of (Co, Fe, Ni, Zn)Fe2O4 spinels and oxides calculated at 0 K from density functional theory (DFT) to free energies in high temperature and pressure water. The ECPs are derived and validated by solving a system of linear equations that combine DFT and experimental free energies for NiO, ZnO, Fe2O3, Fe3O4, FeO(OH), CoFe2O4, ZnFe2O4, NiFe2O4 and H2O. To connect to solution phase chemistry, a set of ECPs are also derived for solvated Ni2+, Zn2+, Fe2+ and Fe3+ ions using an analogous set of linear equations and the solid ECPs. The ECPs are used to calculate free energies of low index stoichiometric surfaces of nickel oxide (NiO) and nickel ferrite (NiFe2O4) in water as a function of temperature from 300 to 600 K at a pressure of 155 bar. Surface denuding at high temperatures is predicted, the implications of which for the formation of oxide corrosion products on heat transfer surfaces in light-water nuclear reactors are discussed.

  19. Hydriding of TiZrNiFe nanocompounds

    NASA Astrophysics Data System (ADS)

    Żywczak, A.; Shinya, Daigo; Gondek, Ł.; Takasaki, Akito; Figiel, H.

    2010-01-01

    Ti-based quasicrystals belong to the second largest group of the stable quasicrystals, showing attractive properties as hydrogen storage materials. The Ti 45Zr 38Ni 17 intermetallic compound forms an icosahedral ( i-phase) structure, in which Ti and Zr atoms possess very good chemical affinity for hydrogen absorption. We modified the Ti 45Zr 38Ni 17 compounds by substituting 3d metals (iron) for Ni to obtain amorphous phase. The samples were produced by mechanical alloying. The 3d metal atoms are located in the same positions as nickel. The structural characterization was made by means of XRD measurements. Thermodynamic properties were studied by differential scanning calorimetry (DSC) and thermal desorption spectroscopy (TDS). The obtained amorphous phases Ti 45Zr 38Ni (9,13)Fe (8,4) transform to the i-phase at the similar temperature range as Ti 45Zr 38Ni 17. The final concentration of absorbed hydrogen depends on the amount of Fe. When increasing the amount of iron, the hydrogen release temperature becomes lower. After hydriding, the samples decompose into simple metal hydrides.

  20. Antiferromagnetic FeMn alloys electrodeposited from chloride-based electrolytes.

    PubMed

    Ruiz-Gómez, Sandra; Ranchal, Rocío; Abuín, Manuel; Aragón, Ana María; Velasco, Víctor; Marín, Pilar; Mascaraque, Arantzazu; Pérez, Lucas

    2016-03-01

    The capability of synthesizing Fe-based antiferromagnetic metal alloys would fuel the use of electrodeposition in the design of new magnetic devices such as high-aspect-ratio spin valves or new nanostructured hard magnetic composites. Here we report the synthesis of high quality antiferromagnetic FeMn alloys electrodeposited from chloride-based electrolytes. We have found that in order to grow homogeneous FeMn films it is necessary to incorporate a large concentration of NH4Cl as an additive in the electrolyte. The study of the structure and magnetic properties shows that films with composition close to Fe50Mn50 are homogeneous antiferromagnetic alloys. We have established a parameter window for the synthesis of FeMn alloys that show antiferromagnetism at room temperature. PMID:26925594

  1. The Charpy impact behavior of Fe{sub 3}Al and Fe{sub 3}Al-20 at % Mn alloys

    SciTech Connect

    Liu, J.N.; Yan, W.; Ma, J.L.; Wu, K.H.

    1997-12-31

    A series of experiments were conducted to investigate the impact fracture behavior of Fe{sub 3}Al and Fe{sub 3}Al-20 Mn alloys. The results of this study indicated that: (i) The addition of Mn introduces an ordered L1{sub 2}-type phase in the Fe{sub 3}Al-based alloys. On the other hand, the addition of Mn decreases the order parameter of the DO{sub 3} {alpha} phase. (ii) The total-impact energy of an Fe{sub 3}Al alloy increases with the temperature at the low-temperature range (<600 C), then drops around 700 C, and finally increases again as the temperature further elevates. (iii) The trend of the variation of the impact energy of Fe{sub 3}Al-20 at % Mn alloy with temperature is the same as that of the Fe{sub 3}Al alloy. (iv) And the addition of Mn significantly improves the impact energy of the Fe{sub 3}Al-based alloy, and changes the variation of the crack-growth energy with the testing temperature when the temperature is above 700 C.

  2. Ten metal complexes of vitamin B3/niacin: Spectroscopic, thermal, antibacterial, antifungal, cytotoxicity and antitumor studies of Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), Pd(II), Cd(II), Pt(IV) and Au(III) complexes

    NASA Astrophysics Data System (ADS)

    Al-Saif, Foziah A.; Refat, Moamen S.

    2012-08-01

    Ten coordination compounds, namely Mn(NA)2Cl2·4H2O (1), Fe(NA)Cl3(H2O)2 (2), Co(NA)2(NO3)2·6H2O (3), Ni(NA)Cl2·5H2O (4), Cu(NA)Cl2·3H2O (5), Zn(NA)(NO3)2·H2O (6), Pd(NA)2Cl2·H2O (7), Cd(NA)Cl2·H2O (8), Pt(NA)2Cl4·5H2O (9) and Au(NA)Cl3 (10) were obtained by the reactions of the corresponding transition metal salts with vitamin B3/niacin (NA) in the presence of 1:4 (v:v) distilled water: methanol solvent at 70 °C for about 30 min, and their suggested structures were determined by elemental analyses, molar conductivity, (infrared, UV-vis) spectra, effective magnetic moment in Bohr magnetons, electron spin resonance (ESR), thermal analysis (TG), X-ray powder diffraction (XRD) as well as scanning electron microscopy (SEM). The results revealed that in complexes 1, 3, 7, and 9 both of two NA ligand coordinates one metal ion to form four or six coordinated structures, while in compound 10, one NA ligand coordinate to Au+++ ion to form a square-planar geometry with N-bonded pyridine ligand is suggested, and (2, 4, 5, 6 and, 8) complexes have 1:1 structures. Antimicrobial and antitumor activities were assessment against some kind of (G+ and G-) bacteria, fungi and breast carcinoma cells (MCF-7-cell line).

  3. Unique coordination of pyrazine in T[Ni(CN) 4]·2pyz with T=Mn, Zn, Cd

    NASA Astrophysics Data System (ADS)

    Lemus-Santana, A. A.; Rodríguez-Hernández, J.; del Castillo, L. F.; Basterrechea, M.; Reguera, E.

    2009-04-01

    The materials under study, T[Ni(CN) 4]·2pyz with T=Mn, Zn, Cd, were prepared by separation of T[Ni(CN) 4] layers in citrate aqueous solution to allow the intercalation of the pyrazine molecules. The obtained solids were characterized from chemical analyses, X-ray diffraction, infrared, Raman, thermogravimetry, UV-Vis, magnetic and adsorption data. Their crystal structure was solved from ab initio using direct methods and then refined by the Rietveld method. A unique coordination for pyrazine to metal centers at neighboring layers was observed. The pyrazine molecule is found forming a bridge between Ni and T atoms, quite different from the proposed structures for T=Fe, Ni where it remains coordinated to two T atoms to form a vertical pillar between neighboring layers. The coordination of pyrazine to both Ni and T atoms minimizes the material free volume and leads to form a hydrophobic framework. On heating the solids remain stable up to 140 °C. No CO 2 and H 2 adsorption was observed in the small free spaces of their frameworks.

  4. Synthesis and characterization of the NiFe2O4/Ni3Fe nanocomposite powder and compacts obtained by mechanical milling and spark plasma sintering

    NASA Astrophysics Data System (ADS)

    Marinca, T. F.; Neamţu, B. V.; Popa, F.; Tarţa, V. F.; Pascuta, P.; Takacs, A. F.; Chicinaş, I.

    2013-11-01

    Nanocomposite powder and compacts of NiFe2O4/Ni3Fe type were synthesized using mechanical milling and spark plasma sintering (SPS) techniques. The samples have been investigated by X-ray diffraction (XRD), laser particles size analysis, differential scanning calorimetry (DSC), scanning electron microscopy (SEM) and energy dispersive X-ray spectrometry (EDX). The nanocomposite powder was obtained by mechanical milling in a high planetary ball mill of nanocrystalline NiFe2O4 and nanocrystalline Ni3Fe powders. The nanocomposite powder consists from Ni3Fe particles covered at the surface with a layer of NiFe2O4 fine particles and NiFe2O4 particles. The nanocomposite particles have the median diameter d50 of 1.6 μm. The sintering in 400-600 °C temperature range preserve the nanocomposite phases but lead to a high porosity. The nanocomposite compacts consist in Ni3Fe clusters surrounded by NiFe2O4. A sintering temperature of 800 °C leads to a good density for the nanocomposite compacts and to the new phase formation. The new phase is a wustite type (Fe1-xNixO) and is formed at the metal/ceramic interface. A change in the Ni/Fe ratio, in the spinel structure, was evidenced during sintering. Sintering at a temperature of 800 °C, leads to the formation of a mixed iron-nickel ferrite with a very small amount of nickel, Ni1-xFexFe2O4.

  5. Ab initio study of Fe{sub 2}MnZ (Al, Si, Ge) Heusler alloy using GGA approximation

    SciTech Connect

    Jain, Vivek Kumar Jain, Vishal Lakshmi, N. Venugopalan, K.

    2014-04-24

    Density functional theory based on FP-LAPW method used to investigate the electronic structure of Fe{sub 2}MnZ, shows that the total spin magnetic moment shows a trend consistent with the Slater–Pauling curve. The Fe and Mn magnetic moment depend on choice of Z element although the magnetic moment of Z element is negative and less than 0.1 μ{sub B}. Spin polarization calculations evidence 100% spin polarization for Fe{sub 2}MnSi. Fe{sub 2}MnAl and Fe{sub 2}MnGe show metallic behavior with 93%, 98% spin polarization.

  6. Neutron diffraction study of MnNiGa{sub 2}—Structural and magnetic behaviour

    SciTech Connect

    Wang, J. L.; Ma, L.; Wu, G. H.; Hofmann, M.; Avdeev, M.; Kennedy, S. J.; Campbell, S. J.; Md Din, M. F.; Dou, S. X.; Hoelzel, M.

    2014-05-07

    MnNiGa{sub 2} crystallizes in the L21 (Heusler) structure and has a ferromagnetic ordering temperature T{sub C} ∼ 192 K. Rietveld refinement of the neutron diffraction patterns indicates that the Ga atoms occupy the equivalent 8c position, while Mn and Ni share the 4a (0, 0, 0) and 4b (0.5, 0.5, 0.5) sites with a mixed occupancy of Mn and Ni atoms. It is found that that ∼83% of Mn and ∼17% Ni are located at the 4a site while ∼83% of Ni and ∼17% Mn occupy the 4b site. There is no evidence of a magneto-volume effect around T{sub C}. In agreement with this finding, our detailed critical exponent analyses of isothermal magnetization curves and the related Arrott plots confirm that the magnetic phase transition at T{sub C} is second order.

  7. Cytocompatibility evaluation of NiMnSn meta-magnetic shape memory alloys for biomedical applications.

    PubMed

    Guiza-Arguello, Viviana R; Monroe, James A; Karaman, Ibrahim; Hahn, Mariah S

    2016-07-01

    Recently, magnetic shape memory alloys (MSMAs) have emerged as an interesting extension to conventional shape memory alloys (SMAs) due to their capacity to undergo reversible deformation in response to an externally applied magnetic field. Meta-magnetic SMAs (M-MSMAs) are a class of MSMAs that are able to transform magnetic energy to mechanical work by harnessing a magnetic-field induced phase transformation, and thus have the capacity to impose up to 10 times greater stress than conventional MSMAs. As such, M-MSMAs may hold substantial promise in biomedical applications requiring extracorporeal device activation. In the present study, the cytotoxicity and ion release from an Ni50 Mn36 Sn14 atomic percent composition M-MSMA were evaluated using NIH/3T3 fibroblasts. Initial studies showed that the viability of cells exposed to NiMnSn ion leachants was 60 to 67% of tissue culture polystyrene (TCP) controls over 10 to 14 days of culture. This represents a significant improvement in cytocompatibility relative to NiMnGa alloys, one of the most extensively studied MSMA systems, which have been reported to induce 80% cell death in only 48 h. Furthermore, NiMnSn M-MSMA associated cell viability was increased to 80% of TCP controls following layer-by-layer alloy coating with poly(allylamine hydrochloride)/poly(acrylic acid) [PAH/PAA]. Ion release measures revealed that the PAH/PAA coatings decreased total Sn and Mn ion release by 50% and 25%, respectively, and optical microscopy evaluation indicated that the coatings reduced NiMnSn surface oxidation. To our knowledge, this study presents the first cytotoxicity evaluation of NiMnSn M-MSMAs and lays the groundwork for their further biological evaluation. © 2015 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 104B: 853-863, 2016. PMID:25953682

  8. Thermal and structural characterization of Cu-Al-Mn-X (Ti, Ni) shape memory alloys

    NASA Astrophysics Data System (ADS)

    Canbay, C. Aksu; Genc, Z. Karagoz; Sekerci, M.

    2014-05-01

    In this study, the Cu-Al-Mn-X (X = Ni, Ti) shape memory alloys at the range of 10-12 at.% of aluminum and 4-5 at.% manganese were produced by arc melting. We have investigated the effects of the alloying elements on the transformation temperatures, and the structural and the magnetic properties of the quaternary Cu-Al-Mn-X (X = Ni, Ti) shape memory alloys. The evolution of the transformation temperatures was studied by differential scanning calorimetry with different heating and cooling rates. The characteristic transformation temperatures and the thermodynamic parameters were highly sensitive to variations in the aluminum and manganese content, and it was observed that the nickel addition into the Cu-Al-Mn system decreased the transformation temperature although Ti addition caused an increase in the transformation temperatures. The effect of the nickel and the titanium on the thermodynamic parameters such as enthalpy and entropy values was investigated. The structural changes of the samples were studied by X-ray diffraction measurements and by optical microscope observations at room temperature. It is evaluated that the element Ni has been completely soluble in the matrix, and the main phase of the Cu-Al-Mn-Ni sample is martensite, and due to the low solubility of the Ti, the Cu-Al-Mn-Ti sample has precipitates, and a martensite phase at room temperature. The magnetic properties of the Cu-Al-Mn, Cu-Al-Mn-Ni and Cu-Al-Mn-Ti samples were investigated, and the effect of the nickel and the titanium on the magnetic properties was studied.

  9. Ligational behaviour of lomefloxacin drug towards Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), Th(IV) and UO 2(VI) ions: Synthesis, structural characterization and biological activity studies

    NASA Astrophysics Data System (ADS)

    El-Halim, Hanan F. Abd; Mohamed, Gehad G.; El-Dessouky, Maher M. I.; Mahmoud, Walaa H.

    2011-11-01

    Nine new mononuclear Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), Th(IV) and UO 2(VI) complexes of lomefloxacin drug were synthesized. The structures of these complexes were elucidated by elemental analyses, IR, XRD, UV-vis, 1H NMR as well as conductivity and magnetic susceptibility measurements and thermal analyses. The dissociation constants of lomefloxacin and stability constants of its binary complexes have been determined spectrophotometrically in aqueous solution at 25 ± 1 °C and at 0.1 M KNO 3 ionic strength. The discussion of the outcome data of the prepared complexes indicate that the lomefloxacin ligand behaves as a neutral bidentate ligand through OO coordination sites and coordinated to the metal ions via the carbonyl oxygen and protonated carboxylic oxygen with 1:1 (metal:ligand) stoichiometry for all complexes. The molar conductance measurements proved that the complexes are electrolytes. The powder XRD study reflects the crystalline nature for the investigated ligand and its complexes except Mn(II), Zn(II) and UO 2(II). The geometrical structures of these complexes are found to be octahedral. The thermal behaviour of these chelates is studied where the hydrated complexes lose water molecules of hydration in the first steps followed by decomposition of the anions, coordinated water and ligand molecules in the subsequent steps. The activation thermodynamic parameters are calculated using Coats-Redfern and Horowitz-Metzger methods. A comparative study of the inhibition zones of the ligand and its metal complexes indicates that metal complexes exhibit higher antibacterial effect against one or more bacterial species than the free LFX ligand. The antifungal and anticancer activities were also tested. The antifungal effect of almost metal complexes is higher than the free ligand. LFX, [Co(LFX)(H 2O) 4]·Cl 2 and [Zn(LFX)(H 2O) 4]·Cl 2 were found to be very active with IC50 values 14, 11.2 and 43.1, respectively. While, other complexes had

  10. A threonine stabilizes the NiC and NiR catalytic intermediates of [NiFe]-hydrogenase.

    PubMed

    Abou-Hamdan, Abbas; Ceccaldi, Pierre; Lebrette, Hugo; Gutiérrez-Sanz, Oscar; Richaud, Pierre; Cournac, Laurent; Guigliarelli, Bruno; De Lacey, Antonio L; Léger, Christophe; Volbeda, Anne; Burlat, Bénédicte; Dementin, Sébastien

    2015-03-27

    The heterodimeric [NiFe] hydrogenase from Desulfovibrio fructosovorans catalyzes the reversible oxidation of H2 into protons and electrons. The catalytic intermediates have been attributed to forms of the active site (NiSI, NiR, and NiC) detected using spectroscopic methods under potentiometric but non-catalytic conditions. Here, we produced variants by replacing the conserved Thr-18 residue in the small subunit with Ser, Val, Gln, Gly, or Asp, and we analyzed the effects of these mutations on the kinetic (H2 oxidation, H2 production, and H/D exchange), spectroscopic (IR, EPR), and structural properties of the enzyme. The mutations disrupt the H-bond network in the crystals and have a strong effect on H2 oxidation and H2 production turnover rates. However, the absence of correlation between activity and rate of H/D exchange in the series of variants suggests that the alcoholic group of Thr-18 is not necessarily a proton relay. Instead, the correlation between H2 oxidation and production activity and the detection of the NiC species in reduced samples confirms that NiC is a catalytic intermediate and suggests that Thr-18 is important to stabilize the local protein structure of the active site ensuring fast NiSI-NiC-NiR interconversions during H2 oxidation/production. PMID:25666617

  11. A Threonine Stabilizes the NiC and NiR Catalytic Intermediates of [NiFe]-hydrogenase*

    PubMed Central

    Abou-Hamdan, Abbas; Ceccaldi, Pierre; Lebrette, Hugo; Gutiérrez-Sanz, Oscar; Richaud, Pierre; Cournac, Laurent; Guigliarelli, Bruno; De Lacey, Antonio L.; Léger, Christophe; Volbeda, Anne; Burlat, Bénédicte; Dementin, Sébastien

    2015-01-01

    The heterodimeric [NiFe] hydrogenase from Desulfovibrio fructosovorans catalyzes the reversible oxidation of H2 into protons and electrons. The catalytic intermediates have been attributed to forms of the active site (NiSI, NiR, and NiC) detected using spectroscopic methods under potentiometric but non-catalytic conditions. Here, we produced variants by replacing the conserved Thr-18 residue in the small subunit with Ser, Val, Gln, Gly, or Asp, and we analyzed the effects of these mutations on the kinetic (H2 oxidation, H2 production, and H/D exchange), spectroscopic (IR, EPR), and structural properties of the enzyme. The mutations disrupt the H-bond network in the crystals and have a strong effect on H2 oxidation and H2 production turnover rates. However, the absence of correlation between activity and rate of H/D exchange in the series of variants suggests that the alcoholic group of Thr-18 is not necessarily a proton relay. Instead, the correlation between H2 oxidation and production activity and the detection of the NiC species in reduced samples confirms that NiC is a catalytic intermediate and suggests that Thr-18 is important to stabilize the local protein structure of the active site ensuring fast NiSI-NiC-NiR interconversions during H2 oxidation/production. PMID:25666617

  12. Stabilization of the HCP [var epsilon] phase in an Fe-21%Mn alloy subjected to cathodic hydrogen charging

    SciTech Connect

    Aikawa, T.; Nishino, Y.; Asano, S. )

    1993-07-01

    Cathodic hydrogen charging induces some phase transformation in the surface layer of FCC iron alloys. Such a hydrogen-induced phase transformation has extensively been studied for austenitic stainless steels, where the FCC [gamma] phase transforms partially into an HCP [var epsilon][sub H] phase. The formation of the [var epsilon][sub H] phase has also been found in FCC Fe-Mn alloys and Fe-Ni-Mn alloys. The [var epsilon][sub H] phase is unstable in the absence of hydrogen and decomposes to an [var epsilon] martensite in the metastable FCC alloys. In order to make clear the nature of the [var epsilon][sub H] phase, it is necessary to reveal the stability of the [var epsilon] phase in FCC iron alloys during cathodic hydrogen charging. In the present study, the authors employed an Fe-21%Mn alloy which consisted of a mixture of the [gamma] and [var epsilon] phases in an as-quenched state. For this two-phase alloy, the [var epsilon] [r arrow] [gamma] transformation has so far been examined by a high-pressure equilibration method in a hydrogen-gas atmosphere. The purpose of this study is to compare the stability of the [gamma] phases in the two-phase alloy subjected to cathodic hydrogen charging in an aqueous solution. The influence of hydrogen on the [var epsilon] phase stability will be discussed, including the transformation in a hydrogen-gas atmosphere.

  13. Radiation effects on interface reactions of U/Fe, U/(Fe + Cr), and U/(Fe + Cr + Ni)

    NASA Astrophysics Data System (ADS)

    Shao, Lin; Chen, Di; Wei, Chaochen; Martin, Michael S.; Wang, Xuemei; Park, Youngjoo; Dein, Ed; Coffey, Kevin R.; Sohn, Yongho; Sencer, Bulent H.; Rory Kennedy, J.

    2015-01-01

    We study the effects of radiation damage on interdiffusion and intermetallic phase formation at the interfaces of U/Fe, U/(Fe + Cr), and U/(Fe + Cr + Ni) diffusion couples. Magnetron sputtering is used to deposit thin films of Fe, Fe + Cr, or Fe + Cr + Ni on U substrates to form the diffusion couples. One set of samples are thermally annealed under high vacuum at 450 °C or 550 °C for one hour. A second set of samples are annealed identically but with concurrent 3.5 MeV Fe++ ion irradiation. The Fe++ ion penetration depth is sufficient to reach the original interfaces. Rutherford backscattering spectrometry analysis with high fidelity spectral simulations is used to obtain interdiffusion profiles, which are used to examine differences in U diffusion and intermetallic phase formation at the buried interfaces. For all three diffusion systems, Fe++ ion irradiations enhance U diffusion. Furthermore, the irradiations accelerate the formation of intermetallic phases. In U/Fe couples, for example, the unirradiated samples show typical interdiffusion governed by Fick's laws, while the irradiated ones show step-like profiles influenced by Gibbs phase rules.

  14. Radiation effects on interface reactions of U/Fe, U/(Fe+Cr), and U/(Fe+Cr+Ni)

    SciTech Connect

    Shao, Lin; Chen, Di; Wei, Chaochen; Martin, Michael S.; Wang, Xuemei; Park, Youngjoo; Dein, Ed; Coffey, Kevin R.; Sohn, Yongho; Sencer, Bulent H.; Rory Kennedy, J.

    2014-10-01

    We study the effects of radiation damage on interdiffusion and intermetallic phase formation at the interfaces of U/Fe, U/(Fe + Cr), and U/(Fe + Cr + Ni) diffusion couples. Magnetron sputtering is used to deposit thin films of Fe, Fe + Cr, or Fe + Cr + Ni on U substrates to form the diffusion couples. One set of samples are thermally annealed under high vacuum at 450 C or 550 C for one hour. A second set of samples are annealed identically but with concurrent 3.5 MeV Fe++ ion irradiation. The Fe++ ion penetration depth is sufficient to reach the original interfaces. Rutherford backscattering spectrometry analysis with high fidelity spectral simulations is used to obtain interdiffusion profiles, which are used to examine differences in U diffusion and intermetallic phase formation at the buried interfaces. For all three diffusion systems, Fe++ ion irradiations enhance U diffusion. Furthermore, the irradiations accelerate the formation of intermetallic phases. In U/Fe couples, for example, the unirradiated samples show typical interdiffusion governed by Fick’s laws, while the irradiated ones show step-like profiles influenced by Gibbs phase rules.

  15. Radiation effects on interface reactions of U/Fe, U/(Fe+Cr), and U/(Fe+Cr+Ni)

    DOE PAGESBeta

    Shao, Lin; Chen, Di; Wei, Chaochen; Martin, Michael S.; Wang, Xuemei; Park, Youngjoo; Dein, Ed; Coffey, Kevin R.; Sohn, Yongho; Sencer, Bulent H.; et al

    2014-10-01

    We study the effects of radiation damage on interdiffusion and intermetallic phase formation at the interfaces of U/Fe, U/(Fe + Cr), and U/(Fe + Cr + Ni) diffusion couples. Magnetron sputtering is used to deposit thin films of Fe, Fe + Cr, or Fe + Cr + Ni on U substrates to form the diffusion couples. One set of samples are thermally annealed under high vacuum at 450 C or 550 C for one hour. A second set of samples are annealed identically but with concurrent 3.5 MeV Fe++ ion irradiation. The Fe++ ion penetration depth is sufficient to reachmore » the original interfaces. Rutherford backscattering spectrometry analysis with high fidelity spectral simulations is used to obtain interdiffusion profiles, which are used to examine differences in U diffusion and intermetallic phase formation at the buried interfaces. For all three diffusion systems, Fe++ ion irradiations enhance U diffusion. Furthermore, the irradiations accelerate the formation of intermetallic phases. In U/Fe couples, for example, the unirradiated samples show typical interdiffusion governed by Fick’s laws, while the irradiated ones show step-like profiles influenced by Gibbs phase rules.« less

  16. Structural and magnetic properties of (Fe/Mn) exchange-biased multilayers

    NASA Astrophysics Data System (ADS)

    El Bahoui, A.; Genevois, C.; Juraszek, J.; Bordel, C.; Ledue, D.

    2013-05-01

    Exchange-biasing of ferromagnetic (F) Fe layers by adjacent antiferromagnetic (AF) Mn layers has been investigated in (Fe/Mn)10 multilayered films. This study has been focused on the relationship between the evolution of the exchange-bias field and the evolution of the film microstructure as a function of the deposition temperature. The increase of the deposition temperature results in the formation of an Fe-Mn alloy at the interfaces and columnar features whose size increases with the deposition temperature. In parallel, the exchange-bias field decreases significantly, due to interface roughness.

  17. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy.

    PubMed

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B; Gee, Leland B; Scott, Aubrey D; Yoda, Yoshitaka; Tanaka, Yoshihito; Lubitz, Wolfgang; Cramer, Stephen P

    2015-01-01

    The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the (57)Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique 'wagging' mode involving H(-) motion perpendicular to the Ni(μ-H)(57)Fe plane was studied using (57)Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)(57)Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe-CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)(57)Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)(57)Fe(CO)3](+) and DFT calculations, which collectively indicate a low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H(-) binding Ni more tightly than Fe. The present methodology is also relevant to characterizing Fe-H moieties in other important natural and synthetic catalysts. PMID:26259066

  18. The electrodeposition of FeCrNi stainless steel: microstructural changes induced by anode reactions.

    PubMed

    Hasegawa, Madoka; Yoon, Songhak; Guillonneau, Gaylord; Zhang, Yucheng; Frantz, Cédric; Niederberger, Christoph; Weidenkaff, Anke; Michler, Johann; Philippe, Laetitia

    2014-12-21

    The FeCrNi alloy, whose composition is close to that of stainless steel 304, was prepared by electrodeposition and characterized. Nanocrystalline FeCrNi (nc-FeCrNi) was obtained by employing a double-compartment cell where the anode is separated from the cathode compartment, while amorphous FeCrNi (a-FeCrNi) was deposited in a conventional single electrochemical cell. The carbon content of nc-FeCrNi was found to be significantly lower than that of a-FeCrNi, suggesting that carbon inclusion is responsible for the change in the microstructure. The major source of carbon is associated with the reaction compounds at the anode electrode, presumably decomposed glycine. Crystal structure analysis by XRD and TEM revealed that the as-deposited nc-FeCrNi deposits consist of α-Fe which transforms to γ-Fe upon thermal annealing. Nanoindentation tests showed that nc-FeCrNi exhibits higher hardness than a-FeCrNi, which is consistent with the inverse Hall-Petch behavior. PMID:25367332

  19. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

    NASA Astrophysics Data System (ADS)

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B.; Gee, Leland B.; Scott, Aubrey D.; Yoda, Yoshitaka; Tanaka, Yoshihito; Lubitz, Wolfgang; Cramer, Stephen P.

    2015-08-01

    The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique `wagging' mode involving H- motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe-CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate a low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H- binding Ni more tightly than Fe. The present methodology is also relevant to characterizing Fe-H moieties in other important natural and synthetic catalysts.

  20. Perpendicular exchange bias behaviors of CoPt/IrMn and CoPt/FeMn bilayers: A comparative study

    SciTech Connect

    Tsai, C. Y.; Lin, K. F.; Hsu, Jen-Hwa

    2015-05-07

    In this study, FeMn was introduced as an antiferromagnetic (AFM) layer to couple with a single-layered Co{sub 49}Pt{sub 51} alloy thin film, and it was compared with a Co{sub 49}Pt{sub 51}/IrMn bilayer system in exchange bias (EB) effect, to explore the mechanism of spontaneous perpendicular exchange bias (PEB), which has been recently observed in CoPt/IrMn bilayers. Bilayers of CoPt/IrMn and CoPt/FeMn were prepared under the same conditions by sputtering at room temperature without any inducing field. Although PEB was observed in as-grown CoPt/FeMn bilayers, the loop shape and PEB behavior were found to exhibit different characteristics from those of CoPt/IrMn bilayers. The CoPt (5 nm)/FeMn (10 nm) bilayer has a sheared loop that is similar to a double-shifted loop and a much lower squareness ratio (SQR = 0.52) and exchange bias field (H{sub e} = 180 Oe) than the CoPt (5 nm)/IrMn (10 nm) system, which has a rectangular loop shape and a high SQR of 0.97 and large H{sub e} of 290 Oe. The two systems present entirely different dependences of PEB on the thickness of the AFM layer. CoPt/IrMn exhibits behavior that is typical of most EB systems, but for CoPt/FeMn, this dependence is more complicated with an unusual peak at an AFM layer thickness of 10 nm. Based on the dissimilar loop shapes and dependences of PEB on AFM thickness, the mechanisms of the spontaneously established PEB in these two systems are considered to differ. Investigations of cross-sectional transmission electron microscopy revealed no apparent difference between the interfacial microstructures of the two systems. X-ray diffraction studies demonstrated the 〈111〉 texture of both systems. Therefore, different interfacial spin configurations may be responsible for the dissimilar PEB behaviors in these two FM/AFM bilayer systems.

  1. Nanorods, nanospheres, nanocubes: Synthesis, characterization and catalytic activity of nanoferrites of Mn, Co, Ni, Part-89

    SciTech Connect

    Singh, Supriya; Srivastava, Pratibha; Singh, Gurdip

    2013-02-15

    Graphical abstract: Prepared nanoferrites were characterized by FE-SEM and bright field TEM micrographs. The catalytic effect of these nanoferrites was evaluated on the thermal decomposition of ammonium perchlorate using TG and TG–DSC techniques. The kinetics of thermal decomposition of AP was evaluated using isothermal TG data by model fitting as well as isoconversional method. Display Omitted Highlights: ► Synthesis of ferrite nanostructures (∼20.0 nm) by wet-chemical method under different synthetic conditions. ► Characterization using XRD, FE-SEM, EDS, TEM, HRTEM and SAED pattern. ► Catalytic activity of ferrite nanostructures on AP thermal decomposition by thermal techniques. ► Burning rate measurements of CSPs with ferrite nanostructures. ► Kinetics of thermal decomposition of AP + nanoferrites. -- Abstract: In this paper, the nanoferrites of Mn, Co and Ni were synthesized by wet chemical method and characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), energy dispersive, X-ray spectra (EDS), transmission electron microscopy (TEM) and high resolution transmission electron microscopy (HR-TEM). It is catalytic activity were investigated on the thermal decomposition of ammonium perchlorate (AP) and composite solid propellants (CSPs) using thermogravimetry (TG), TG coupled with differential scanning calorimetry (TG–DSC) and ignition delay measurements. Kinetics of thermal decomposition of AP + nanoferrites have also been investigated using isoconversional and model fitting approaches which have been applied to data for isothermal TG decomposition. The burning rate of CSPs was considerably enhanced by these nanoferrites. Addition of nanoferrites to AP led to shifting of the high temperature decomposition peak toward lower temperature. All these studies reveal that ferrite nanorods show the best catalytic activity superior to that of nanospheres and nanocubes.

  2. Observation of hyperfine structure of D022-Mn3‑ x Fe x Ga by Mössbauer effect

    NASA Astrophysics Data System (ADS)

    Koeba, Akira; Shima, Toshiyuki; Doi, Masaaki

    2016-07-01

    In this work, to obtain the design guideline for a magnet made of a Mn-based alloy, Mn3‑ x Fe x Ga alloys were prepared by arc melting and the magnetic state of Fe in the alloys and hyperfine structure were investigated on the basis of the Mössbauer effect. As a result, D022-Mn2.2Fe0.5Ga alloys were obtained by annealing at 350 °C for 2 days. From the Mössbauer spectrum of Mn2.2Fe0.5Ga, it was clear that Fe replaced Mn in the Mn II site of the D022 structure. In addition, it was also found that the hyperfine field of Fe is extremely lower in the Mn II site than in the Mn I site.

  3. Hierachical Ni@Fe2O3 superparticles through epitaxial growth of γ-Fe2O3 nanorods on in situ formed Ni nanoplates.

    PubMed

    Tahir, Muhammad Nawaz; Herzberger, Jana; Natalio, Filipe; Köhler, Oskar; Branscheid, Robert; Mugnaioli, Enrico; Ksenofontov, Vadim; Panthöfer, Martin; Kolb, Ute; Frey, Holger; Tremel, Wolfgang

    2016-05-01

    One endeavour of nanochemistry is the bottom-up synthesis of functional mesoscale structures from basic building blocks. We report a one-pot wet chemical synthesis of Ni@γ-Fe2O3 superparticles containing Ni cores densely covered with highly oriented γ-Fe2O3 (maghemite) nanorods (NRs) by controlled reduction/decomposition of nickel acetate (Ni(ac)2) and Fe(CO)5. Automated diffraction tomography (ADT) of the Ni-Fe2O3 interface in combination with Mössbauer spectroscopy showed that selective and oriented growth of the γ-Fe2O3 nanorods on the Ni core is facilitated through the formation of a Fe0.05Ni0.95 alloy and the appearance of superstructure features that may reduce strain at the Ni-Fe2O3 interface. The common orientation of the maghemite nanorods on the Ni core of the superparticles leads to a greatly enhanced magnetization. After functionalization with a catechol-functional polyethylene glycol (C-PEG) ligand the Ni@γ-Fe2O3 superparticles were dispersible in water. PMID:26818395

  4. Magnetic interactions in BiFe₀.₅Mn₀.₅O₃ films and BiFeO₃/BiMnO₃ superlattices.

    PubMed

    Xu, Qingyu; Sheng, Yan; Khalid, M; Cao, Yanqiang; Wang, Yutian; Qiu, Xiangbiao; Zhang, Wen; He, Maocheng; Wang, Shuangbao; Zhou, Shengqiang; Li, Qi; Wu, Di; Zhai, Ya; Liu, Wenqing; Wang, Peng; Xu, Y B; Du, Jun

    2015-01-01

    The clear understanding of exchange interactions between magnetic ions in substituted BiFeO3 is the prerequisite for the comprehensive studies on magnetic properties. BiFe0.5Mn0.5O3 films and BiFeO3/BiMnO3 superlattices have been fabricated by pulsed laser deposition on (001) SrTiO3 substrates. Using piezoresponse force microscopy (PFM), the ferroelectricity at room temperature has been inferred from the observation of PFM hysteresis loops and electrical writing of ferroelectric domains for both samples. Spin glass behavior has been observed in both samples by temperature dependent magnetization curves and decay of thermo-remnant magnetization with time. The magnetic ordering has been studied by X-ray magnetic circular dichroism measurements, and Fe-O-Mn interaction has been confirmed to be antiferromagnetic (AF). The observed spin glass in BiFe0.5Mn0.5O3 films has been attributed to cluster spin glass due to Mn-rich ferromagnetic (FM) clusters in AF matrix, while spin glass in BiFeO3/BiMnO3 superlattices is due to competition between AF Fe-O-Fe, AF Fe-O-Mn and FM Mn-O-Mn interactions in the well ordered square lattice with two Fe ions in BiFeO3 layer and two Mn ions in BiMnO3 layer at interfaces. PMID:25766744

  5. Preparation of a novel graphene oxide/Fe-Mn composite and its application for aqueous Hg(II) removal.

    PubMed

    Tang, Jingchun; Huang, Yao; Gong, Yanyan; Lyu, Honghong; Wang, Qilin; Ma, Jianli

    2016-10-01

    A novel graphene oxide/Fe-Mn (GO/Fe-Mn) composite was synthesized (molar ratio of Fe/Mn=3/1 and mass ratio of Fe/GO=1/7.5) and investigated for the sorption characteristics and mechanisms of aqueous mercury (Hg(2+)) as well as the biological effects to wheat and rice. Characterization tests showed that Fe-Mn oxides were impregnated onto GO sheets in an amorphous form through oxygen-containing functional groups (i.e., CO, epoxy COC, carboxyl OCO, and CO) and π-π interactions. GO/Fe-Mn possessed large surface area, surface enhanced Raman scattering with more sp(3) defects, and greater thermal stability than GO. XPS analysis revealed that Fe2O3, FeOOH, MnO2, MnOOH, and MnO were the dominant metal oxides in GO/Fe-Mn. Pseudo-second-order kinetic model and Sips isotherm model fitted well with the sorption kinetic and isotherm data. The maximum sorption capacity for mercury was 32.9mg/g. Ligand exchange and surface complexation were the dominant mechanisms for mercury removal. GO/Fe-Mn greatly reduced the bioavailability of mercury to wheat and rice, even promoted the seedling growth. This work suggests that GO/Fe-Mn can be used as an effective and environmental-friendly adsorbent in heavy metal remediation. PMID:27232726

  6. Influence of Mn incorporation for Ni on the magnetocaloric properties of rapidly solidified off-stoichiometric NiMnGa ribbons

    NASA Astrophysics Data System (ADS)

    Dey, Sushmita; Singh, Satnam; Roy, R. K.; Ghosh, M.; Mitra, A.; Panda, A. K.

    2016-01-01

    The present investigation addresses the magnetocaloric behaviour in a series of Ni77-xMnxGa23 (x=23, 24, 25, 27 and 29) rapidly solidified alloys prepared in the form of ribbons by melt spinning technique. The approach of the study is to identify the off-stoichiometric composition wherein room temperature magneto-structural transformation is achieved. The alloy chemistry was tailored through Mn incorporation for Ni such that the magnetic and structural transitions were at close proximity to achieve highest entropy value of ΔS equal to 8.51 J Kg-1 K-1 for #Mn24 ribbon measured at an applied field of 3 T. When such transitions are more staggered as in #Mn29 the entropy value of ribbon reduced to as low as 1.61 J Kg-1 K-1. Near room temperature transformations in #Mn24 ribbon have been observed through calorimetric and thermomagnetic evaluation. Reverse martensitic transformation (martensite→autstenite) temperature indicates not only distinct change in the saturation flux density but also an inter-martensitic phase. Microstructural analysis of #Mn24 alloy ribbon revealed structural ordering with the existence of plate morphology evidenced for martensitic phase.

  7. Magnetic properties and loss separation in FeSi/MnZnFe2O4 soft magnetic composites

    NASA Astrophysics Data System (ADS)

    Lauda, M.; Füzer, J.; Kollár, P.; Strečková, M.; Bureš, R.; Kováč, J.; Baťková, M.; Baťko, I.

    2016-08-01

    We investigated composites that have been prepared from FeSi powders covered with MnZnFe2O4 (MnZn ferrite), which was prepared by sol-gel synthesis accompanied with the auto-combustion process. The aim of this paper is to analyze the complex permeability and core losses of prepared samples with different amount of MnZn ferrite. The microstructure and the powder morphology were examined by scanning electron microscopy. Magnetic measurements on bulk samples were carried out using a vibrating sample magnetometer, an impedance analyzer and hysteresisgraphs. The results indicate that the composites with 2.6 wt% MnZn ferrite show better soft magnetic properties than the composites with about 6 wt% MnZn ferrite.

  8. Modeling of the solubilities of NiO/NiAl2O4 and FeO/FeAl2O4 in cryolite melts at 1300 K

    NASA Astrophysics Data System (ADS)

    Zhang, Yunshu; Wu, Xiaoxia; Rapp, Robert A.

    2004-02-01

    Experiments to measure the solubilities of NiO/NiAl2O4 and FeO/FeAl2O4 were performed, and the results confirmed existing literature values. The solubilities of NiAl2O4 and FeAl2O4 in Al2O3-saturated cryolite melts at 1300 K were modeled thermodynamically in terms of the Ni-containing complexes Na2NiF4 and Na4NiF6, and the Fe-containing solutes FeF2, Na2FeF4, and Na4FeF6. The experimental solubility data were fitted to multiple simultaneous equilibria. Equilibrium constants and ΔG f 0 values for the formation reactions of the these solutes were thereby estimated. The solubilities of NiO/NiAl2O4 and FeO/FeAl2O4 and solute distributions in Al2O3-undersaturated cryolite melts were calculated for a number of melt compositions from the present model. The existence of several competitive solute species is inherent to highly buffered ionic cryolite solutions where the traditional log-log methodology had previously failed to identify dominant single solutes. In such solutions, individual solutes of oxides are not likely to dominate over a wide composition range so that a more global modeling is required. The principal solute species identified in the present study exhibit reasonable three-dimensional (3-D) anion geometries.

  9. Microstructure and magnetic properties in FeCoB/NiFe double layer

    NASA Astrophysics Data System (ADS)

    Kong, Sok-hyun; Okamoto, Takeshi; Nakagawa, Shigeki

    2004-05-01

    The origin of high anisotropy field Hk and low coercivity Hc of Fe-Co-B/Ni-Fe double layered film with high 4 πMs was investigated. In-plane and out-of-plane XRD studies clarified that the lattice spacing of planes along the easy axis direction was expanded than that along the hard axis direction. The fact was confirmed that such stress caused by the lattice expansion had significant effects on the magnetoelastic energy in this double layer.

  10. Structural and Mössbauer spectroscopic study of Fe-Ni alloy nanoparticles

    SciTech Connect

    Kumar, Asheesh; Banerjee, S. Sudarsan, V.; Meena, S. S.

    2014-04-24

    Nano-crystalline Fe-Ni alloys have been synthesized in ethylene glycol medium. Based on XRD studies it is confirmed that, in these alloys Fe atoms are incorporated at Ni site to form Ni-Fe solid solutions. Mössbauer studies have established that for alloy particles having smaller size there is significant concentration of two different types of paramagnetic Fe species and their relative concentration decreased with increase in particle size.

  11. Zn Speciation in two Fe-Mn Banded Systems

    NASA Astrophysics Data System (ADS)

    Marcus, M.; Manceau, A.; Kersten, M.; Tazaki, K.

    2002-12-01

    We have used micro-EXAFS spectroscopy to study the speciation of Zn in two shallow-water Fe-Mn banded structures. One of the samples is from the Baltic Sea and contains anthropogenic Zn in a matrix which is believed to be banded due to annual oscillations in oxygen content, pH and other variables of water chemistry (Hlawatsch, et. al., 2002). The other sample, from Akayu Hot Springs off the coast of a volcanic island (Satsuma-Iwo Jima) at the southern tip of Japan, is a hardened biomat in which the compositional oscillations are at least partly due to bacterial action, and in which the Zn content is natural (Tazaki, 2000). By using a beam as small as 5μm in diameter, we can look at details of metal distribution and speciation on a spatial scale much finer than the banding, which has wavelengths of order 100μm. In both samples, the Zn is associated with the high-Mn layers, though the layer-to-layer contrast is lower in the Japan sample. However, the speciation of Zn is different in the two samples. The Baltic sample shows Zn only in one form - sorbed on a layered phyllomanganate resembling birnessite with Zn tetrahedrally coordinated and sorbed to vacant octahedral sites of the Mn layer. This species was also found in soil (Manceau et. al., 2000). The Japan sample also has tetrahedral Zn in birnessite-like phyllomanganate as well as Zn in at least two other forms. The phyllomanganate species is thus seen to be a ubiquitous sink for Zn in the environment. We will discuss some possible reasons for the differences and similarities of Zn speciation in these two systems. Hlawatsch, S., Garbe-Schönberg, C.D., Lechtenberg, F., Manceau, A., Tamura, N., Kulik, D.A., Kersten, M. (2002) Trace metal fluxes to ferromanganese nodules from the western Baltic Sea as a record for long-term environmental changes. Chemical Geology, 182 697-709. Manceau A., Lanson B., Schlegel M.L., Hargé J.C., Musso M., Eybert-Bérard L., Hazemann J.L., Chateigner D., Lamble G.M. (2000

  12. Giant magnetoresistance studies in evaporated Ni-Fe/Cu and Ni-Fe-Co/Cu multilayers (abstract)

    NASA Astrophysics Data System (ADS)

    Haftek, E.; Zeltser, A. M.; Smith, Neil

    1997-04-01

    Room temperature giant magnetoresistance (GMR) and magnetic properties of (Ni-Fe/Cu)n and (Ni-Fe-Co/Cu)n multilayers were investigated. Alternating layers of Ni-Fe-(Co) and Cu were electron-beam evaporated in a computer-controlled high-vacuum system at base pressure of ⩽4×10-8 Torr and deposition rates of ⩽2 Å/s. To complement and expand our previous investigation,1 GMR properties were additionally studied here as a function of cobalt content of Ni-Fe-Co films, the number (n) of bilayers, deposition temperature, and type of buffer layer. The Co content was varied from 7 to 17 at. %, and the number of bilayers ranged from n=8 to 20. No significant GMR was observed in the as-deposited multilayers. To produce tangible GMR, these multilayers were annealed between 300 and 360 °C for 2 h in a 150 Oe magnetic field in an argon atmosphere. The GMR effect (ΔR/R) was essentially independent of copper spacer thickness, which varied between 25 and 30 Å. For Co containing multilayers the highest ΔR/R=7.6% was obtained for 17 at. % Co deposited at 100 °C. The ΔR/R in all Ni-Fe-Co/Cu multilayers was sensitive to the deposition temperature, and R-H loops always showed significant hysteresis independent of the type of buffer layer. For application of these materials to very high density reproduce heads,2 the best results were obtained for (27 Å NiFe/25 Å Cu)14-18 multilayers deposited at 160 °C on 70 Å Ta buffer layer. For example, n=17 multilayers annealed at 350 °C exhibited ΔR/R=7.5%, half-width at half-maximum of ˜50 Oe, essentially no anisotropy, and virtually zero hysteresis (Fig. 1). Frequency dependent permeability measurements showed constant permeability between 10 and 200 MHz. Low- and high-angle x-ray diffraction as well as atomic force microscopy were used to investigate the effect of different geometries of multilayers on structure and roughness and to correlate them with GMR properties.

  13. FeMn/Fe/Co/Cu(1,1,10) films studied using the magneto-optic Kerr effect and photoemission electron microscopy

    SciTech Connect

    Meng, Y.; Li, J.; Tan, A.; Park, J.; Jin, E.; Son, H.; Doran, A.; Scholl, A.; Arenholz, E.; Zhao, H. W.; Hwang, Chanyong; Qiu, Z. Q.

    2011-07-31

    FeMn/Fe/Co/Cu(1,1,10) films were grown epitaxially and investigated using the magneto-optic Kerr effect and photoemission electron microscopy. We found that FeMn/Fe/Co/Cu(1,1,10) exhibits the same properties as FeMn/Co/Cu(1,1,10) for the ferromagnetic phase of the face centered cubic (fcc) Fe film but a different property for the non-ferromagnetic phase of the fcc Fe film. This result indicates that the characteristic property reported in the literature for FeMn/Co/Cu(001) comes from the FeMn spin structure and is independent of the ferromagnetic layer.

  14. Experimental Study on Dynamic Mechanical Properties of 30CrMnSiNi2A Steel.

    NASA Astrophysics Data System (ADS)

    Huang, Fenglei; Yao, Wei; Wu, Haijun; Zhang, Liansheng

    2009-06-01

    Under dynamic conditions, the strain-rate dependence of material response and high levels of hydrostatic pressure cause the material behavior to be significantly different from what is observed under quasi-static condition. The curves of stress and strain of 30CrMnSiNi2A steel in different strain rates are obtained with SHPB experiments. Metallographic analyses show that 30CrMnSiNi2A steel is sensitive to strain rate, and dynamic compression leads to shear failure with the angle 45^o as the small carbide which precipitates around grain boundary changes the properties of 30CrMnSiNi2A steel. From the SHPB experiments and quasi-static results, the incomplete Johnson-Cook model has been obtained: σ=[1587+382.5(ɛ^p)^0.245][1+0.017ɛ^*], which can offer parameters for theory application and numerical simulation.

  15. Mechanism of hydrogen activation by [NiFe] hydrogenases.

    PubMed

    Evans, Rhiannon M; Brooke, Emily J; Wehlin, Sara A M; Nomerotskaia, Elena; Sargent, Frank; Carr, Stephen B; Phillips, Simon E V; Armstrong, Fraser A

    2016-01-01

    The active site of [NiFe] hydrogenases contains a strictly conserved arginine that suspends a guanidine nitrogen atom <4.5 Å above the nickel and iron atoms. The guanidine headgroup interacts with the side chains of two conserved aspartic acid residues to complete an outer-shell canopy that has thus far proved intractable to investigation by site-directed mutagenesis. Using hydrogenase-1 from Escherichia coli, the strictly conserved residues R509 and D574 have been replaced by lysine (R509K) and asparagine (D574N) and the highly conserved D118 has been replaced by alanine (D118A) or asparagine (D118N/D574N). Each enzyme variant is stable, and their [(RS)2Niμ(SR)2Fe(CO)(CN)2] inner coordination shells are virtually unchanged. The R509K variant had >100-fold lower activity than native enzyme. Conversely, the variants D574N, D118A and D118N/D574N, in which the position of the guanidine headgroup is retained, showed 83%, 26% and 20% activity, respectively. The special kinetic requirement for R509 implicates the suspended guanidine group as the general base in H2 activation by [NiFe] hydrogenases. PMID:26619250

  16. Charge characteristics of Ni/Fe traction cells

    SciTech Connect

    DeLuca, W.H.; Biwer, R.L.; Tummillo, A.F.; Yao, N.P.

    1983-08-01

    The specific energy and cycle life of nickel/iron (Ni/Fe) battery systems exceed those of lead-acid systems. However, in order for the Ni/Fe system to achieve full capacity, a significant overcharge must be applied. As a result, electrolyte consumption and gassing levels are increased, and cycling efficiencies (Ah and Wh) are reduced. In a series of tests performed on 6V Ni/Fe modules, a range of recharge levels and charge rates were examined for three charge methods. The results show that higher discharge capacities are achieved at higher recharge Ah levels, but at lower Ah and Wh cycling efficiencies. However, when the modules are continuously cycled at any recharge level, repeatable module performance is obtained. Consequently, the optimum combination of module discharge capacity and cycle efficiency can be obtained for any given application by proper selection of the recharge level. It was also observed that at a fixed recharge level, module charge acceptance is virtually independent of the charge method. The tested modules also exhibited a self-discharge loss in capacity that was directly related to the length of the open-circuit stand time after charging and module state-of-charge. This paper describes the test procedures used, presents the test data, and discusses the results obtained.

  17. Ablation replacement of iron with Co, Mn, Ni, and Cu during growth of iron-based superconductor films in the Fe0.9 M 0.1Se0.92 system

    NASA Astrophysics Data System (ADS)

    Stepantsov, E. A.; Kazakov, S. M.; Belikov, V. V.; Makarova, I. P.; Arpaia, R.; Gunnarsson, R.; Lombardi, F.

    2014-09-01

    Thin films of iron-based chalcogenide superconductors FeSe0.92, with iron partially replaced (at least up to 10 at %) by elements such as cobalt, nickel, manganese, or copper, have been grown on the surface of LaAlO3 crystals. Growth is performed by the laser ablation of a target prepared in the form of a ceramic pellet by high-temperature synthesis and the sintering of preliminarily pressed stoichiometric mixture of powders. Iron in these ceramics is replaced with an alloying metal by no more than 3 at %. The rest (7 at %) of the metal is in the form of precipitates of other phases. X-ray diffraction analysis of the grown films has shown that they are single-crystal and free of any precipitates of other crystallographic orientations and phases. This is evidence of the complete (10 at %) replacement of iron with a doping metal in the film structure. This circumstance indicates that the synthesis of components occurs more actively and completely during laser ablation (than in solid-phase chemical reactions) as a result of the transformation of multicomponent target material into plasma. Thus, one can fabricate film materials in a wider range of chemical compositions than in the form of solid-phase synthesized ceramics.

  18. Temperature-induced martensite in magnetic shape memory Fe{sub 2}MnGa observed by photoemission electron microscopy

    SciTech Connect

    Jenkins, Catherine; Scholl, Andreas; Kainuma, R.; Elmers, Hans-Joachim; Omori, Toshihiro

    2012-01-18

    The magnetic domain structure in single crystals of a Heusler shape memory compound near the composition Fe{sub 2}MnGa was observed during phase transition by photoelectron emission microscopy at Beamline 11.0.1.1 of the Advanced Light Source. The behavior is comparable with recent observations of an adaptive martensite phase in prototype Ni{sub 2}MnGa, although the pinning in the recent work is an epitaxial interface and in this work the e ective pinning plane is a boundary between martensitic variants that transform in a self-accommodating way from the single crystal austenite phase present at high temperatures. Temperature dependent observations of the twinning structure give information as to the coupling behavior between the magnetism and the structural evolution.

  19. Substituting Fe for two of the four Mn ions in photosystem II-effects on water-oxidation.

    PubMed

    Semin, Boris K; Seibert, Michael

    2016-06-01

    We have investigated the interaction of Fe(II) cations with Ca-depleted PSII membranes (PSII[-Ca,4Mn]) in the dark and found that Fe(II) incubation removes 2 of 4 Mn ions from the tetranuclear Mn cluster of the photosynthetic O2-evolving complex (OEC). The reduction of Mn ions in PSII(-Ca,4Mn) by Fe(II) and the concomitant release of two Mn(II) cations is accompanied by the binding of newly generated Fe(III) in at least one vacated Mn site. Flash-induced chlorophyll (Chl) fluorescence yield measurements of this new 2Mn/nFe cluster (PSII[-Ca,2Mn,nFe]) show that charge recombination in the presence of 3-(3,4-dichlorophenyl)-1,1-dimethylurea (DCMU) occurs between Qa (-) and the remaining Mn/Fe cluster (but not YZ (●)) in the OEC, and extraction of 2 Mn occurs uniformly in all PSII complexes. No O2 evolution is observed, but the heteronuclear metal cluster in PSII(-Ca,2Mn,nFe) samples is still able to supply electrons for reduction of the exogenous electron acceptor, 2,6-dichlorophrenolindophenol, by photooxidizing water and producing H2O2 in the absence of an exogenous donor as seen previously with PSII(-Ca,4Mn). Selective extraction of Mn or Fe cations from the 2Mn/nFe heteronuclear cluster demonstrates that the high-affinity Mn-binding site is occupied by one of the iron cations. It is notable that partial water-oxidation function still occurs when only two Mn cations are present in the PSII OEC. PMID:26847716

  20. Inverse magnetocaloric effect in Mn{sub 2}NiGa and Mn{sub 1.75}Ni{sub 1.25}Ga magnetic shape memory alloys

    SciTech Connect

    Singh, Sanjay Barman, S. R.; Esakki Muthu, S.; Arumugam, S.; Senyshyn, A.; Rajput, P.; Suard, E.

    2014-02-03

    Inverse magnetocaloric effect is demonstrated in Mn{sub 2}NiGa and Mn{sub 1.75}Ni{sub 1.25}Ga magnetic shape memory alloys. The entropy change at the martensite transition is larger in Mn{sub 1.75}Ni{sub 1.25}Ga, and it increases linearly with magnetic field in both the specimens. Existence of inverse magnetocaloric effect is consistent with the observation that magnetization in the martensite phase is smaller than the austenite phase. Although the Mn content is smaller in Mn{sub 1.75}Ni{sub 1.25}Ga, from neutron diffraction, we show that the origin of inverse magnetocaloric effect is the antiferromagnetic interaction between the Mn atoms occupying inequivalent sites.

  1. Eutectic equilibria in the quaternary system Fe-Cr-Mn-C

    NASA Technical Reports Server (NTRS)

    Nowotny, H.; Wayne, S.; Schuster, J. C.

    1982-01-01

    The constitution of the quaternary system, Fe-Cr-Mn-C and to a lesser extent of the quinary system, Fe-Cr-Mn-Al-C were examined for in situ composite alloy candidates. Multivariant eutectic compositions were determined from phase equilibria studies wherein M7C3 carbides (approximately 30% by volume) formed from the melt within gamma iron. An extended field of the hexagonal carbide, (Cr, Fe, Mn)7 C3, was found without undergoing transformation to the orthorhombic structure. Increasing stability for this carbide was found for higher ratios of Cr/Fe(+) Cr + Mn. Aluminum additions promoted a ferritic matrix while manganese favored the desired gamma austenitic matrix. In coexistence with the matrix phase, chromium enters preferentially the carbide phase while manganese distributes equally between the gamma matrix and the M7C3 carbide. The composition and lattice parameters of the carbide and matrix phases were determined to establish their respective stabilities.

  2. Structural and magnetic characterization of the ball-milled α-Fe 2O 3-Mn 2O 3 and α-Fe-Mn 2O 3 systems

    NASA Astrophysics Data System (ADS)

    de Medeiros, S. N.; Luciano, A.; Cótica, L. F.; Santos, I. A.; Paesano, A.; da Cunha, J. B. M.

    2004-10-01

    In this work, the (Fe2O3)x(Mn2O3)1-x and Fey(Mn2O3)1-y systems were mechanically processed in a high-energy ball-mill. The as-milled powders were structurally and magnetically characterized by X-ray diffraction, Mössbauer spectroscopy and magnetic measurements. Under similar milling settings and conditions, dissimilar behaviors were observed in the studied systems. In the oxide-oxide system, only the bixbyite (Mn,Fe)2O3 phase was obtained in all the analysed samples, whereas in the metal-oxide system, a sharp compositional dependence for the final milling products was observed. For y⩽0.40, the FeMn2O4 spinel phase was detected and, for y>0.40, a wustite-like phase of the (Fe, Mn)1-yO type was formed. It was observed that magnetization in both systems increased with the nominal concentration, x or y, of the magnetic precursors, up to half of the concentration maximum and then it decreased as a result of structural phase transformations.

  3. Critical behavior of Y2NiMnO6 double perovskite

    NASA Astrophysics Data System (ADS)

    Nhalil, Hariharan; Nair, Harikrishnan S.; Elizabeth, Suja

    2016-05-01

    Critical behavior of double perovskite Y2NiMnO6 near the second-order ferromagnetic transition is studied. Scaling exponents calculated frommodified Arrot plots are confirmed by Kouvel-Fisher method and satisfy the Widom's scaling relation. The exponents do not follow any conventional theoretical models.β values areconsistent with 3D-Ising model whileδconformsto TCMF and γ valueclosely relates to the 3D-Heisenberg model. Critical exponents are compared with similar R2NiMnO6 double perovskites which shows that a decrease in size of R ion changes exponents from mean-field to the 3D-Ising model.

  4. Modeling and Characterization of the Magnetocaloric Effect in Ni2MnGa Materials

    SciTech Connect

    Nicholson, Don M; Odbadrakh, Khorgolkhuu; Shassere, Benjamin; Rios, Orlando; Hodges, Jason P; Ludtka, Gerard Michael; Porter, Wallace D; Safa-Sefat, Athena; Rusanu, Aurelian; Brown, Greg; Evans III, Boyd Mccutchen

    2014-01-01

    Magnetic shape memory alloys have great promise as magneto-caloric effect refrigerant materials due to their combined magnetic and structural transitions. Computational and experimental research is reported on the Ni2MnGa material system. The magnetic states of this system are explored using the Wang-Landau statistical approach in conjunction with the Locally Self-consistent Multiple-Scattering method. The effects of alloying agents on the transition temperatures of the Ni2MnGa alloy are investigated using differential scanning calorimetry and superconducting quantum interference device. Experiments are performed at the Spallation Neutron Source at Oak Ridge National Laboratory to observe the structural and magnetic phase transformations.

  5. Unoccupied electronic structure of Ni2MnGa ferromagnetic shape memory alloy

    DOE PAGESBeta

    Maniraj, M.; D׳Souza, S. W.; Rai, Abhishek; Schlagel, D. L.; Lograsso, T. A.; Chakrabarti, Aparna; Barman, S. R.

    2015-08-20

    Momentum resolved inverse photoemission spectroscopy measurements show that the dispersion of the unoccupied bands of Ni2MnGa is significant in the austenite phase. Furthermore, in the martensite phase, it is markedly reduced, which is possibly related to the structural transition to an incommensurate modulated state in the martensite phase. Finally, based on the first principle calculations of the electronic structure of Ni–Mn–Ga, we show that the modification of the spectral shape with surface composition is related to change in the hybridization between the Mn 3d and Ni 3d-like states that dominate the unoccupied conduction band.

  6. Unoccupied electronic structure of Ni2MnGa ferromagnetic shape memory alloy

    SciTech Connect

    Maniraj, M.; D׳Souza, S. W.; Rai, Abhishek; Schlagel, D. L.; Lograsso, T. A.; Chakrabarti, Aparna; Barman, S. R.

    2015-08-20

    Momentum resolved inverse photoemission spectroscopy measurements show that the dispersion of the unoccupied bands of Ni2MnGa is significant in the austenite phase. Furthermore, in the martensite phase, it is markedly reduced, which is possibly related to the structural transition to an incommensurate modulated state in the martensite phase. Finally, based on the first principle calculations of the electronic structure of Ni–Mn–Ga, we show that the modification of the spectral shape with surface composition is related to change in the hybridization between the Mn 3d and Ni 3d-like states that dominate the unoccupied conduction band.

  7. RuO2 nanoparticle-modified (Ce,Mn,Fe)O2/(La,Sr) (Fe,Mn)O3 composite oxide as an active anode for direct hydrocarbon type solid oxide fuel cells

    NASA Astrophysics Data System (ADS)

    Shin, Tae Ho; Hagiwara, Hidehisa; Ida, Shintaro; Ishihara, Tatsumi

    2015-09-01

    Composite oxide anodes have recently attracted great attention as alternative materials for solid oxide fuel cell anodes because of their potential to overcome the serious performance deterioration associated with the traditional Ni-based cermet. In particular, oxide anodes show a greater tolerance to coke and reoxidation than existing Ni-based cermets. In this study, the anodic performance of a (Ce,Mn,Fe)O2/(La,Sr) (Fe,Mn)O3 composite oxide modified with additional amounts of catalytically active RuO2 nanoparticles was investigated. Heat treatment resulted in highly dispersed RuO2 particles (ca. 10 nm). Anodes containing 10 wt% added RuO2 exhibited fairly high maximum power densities of 0.3 and 1.5 W cm-2 in H2 and C3H8, respectively, at 800 °C. The cells showed stable power density and negligible carbon formation even after 50 h of operation at 1 A cm-2. The increased power density was assigned to decreased anodic overpotential and internal resistance losses because RuO2 nanoparticles contribute to the increase in electrical conductivity.

  8. Local valence and physical properties of double perovskite Nd2NiMnO6

    NASA Astrophysics Data System (ADS)

    Shi, Chenyang; Hao, Yongmei; Hu, Zhongbo

    2011-06-01

    A polycrystalline double perovskite Nd2NiMnO6 (NNM) has been synthesized through the solid-state reaction method. Powder x-ray diffraction data can be indexed by the space group P21/n. Double magnetization transition temperatures at 105.12 K and 193.04 K are observed from temperature-dependent magnetization curve and can be ascribed to Ni3+-O-Mn3+ and Ni2+-O-Mn4+ superexchange interactions, respectively. The effective magnetic moment, Curie constant C and paramagnetic Curie-Weiss temperature θ are calculated to be 6.023μB/f.u., 4.529(4) emu K mol-1 Oe-1 and 191.1(9) K, respectively. Mixed valence of Mn ion is further evidenced by x-ray photoelectron spectra and the mole ratio of Mn3+/Mn4+ is determined to be 19.53 : 81.47. The dielectric relaxor behaviour is found in NNM and follows the Vogel-Fulcher relationship with Ea = 0.0264 eV, Tf = 283.2 K and f0 = 4.66 × 108 Hz. The delocalized carriers in the semiconducting sample may explain the origin of dielectric relaxation.

  9. Diffusion, phase equilibria and partitioning experiments in the Ni-Fe-Ru system

    NASA Technical Reports Server (NTRS)

    Blum, Joel D.; Wasserburg, G. J.; Hutcheon, I. D.; Beckett, J. R.; Stolper, E. M.

    1989-01-01

    Results are presented on thin-film diffusion experiments designed to investigate phase equilibria in systems containing high concentrations of Pt-group elements, such as Ni-Fe-Ru-rich systems containing Pt, at temperatures of 1273, 1073, and 873 K. The rate of Ru diffusion in Ni was determined as a function of temperature, and, in addition, the degree of Pt and Ir partitioning between phases in a Ni-Fe-Ru-rich system and of V between phases in a Ni-Fe-O-rich system at 873 were determined. It was found that Pt preferentially partitions into the (gamma)Ni-Fe phase, whereas Ir prefers the (epsilon)Ru-Fe phase. V partitions strongly into Fe oxides relative to (gamma)Ni-Fe. These results have direct application to the origin and thermal history of the alloys rich in Pt-group elements in meteorites.

  10. A [NiFe]hydrogenase model that catalyses the release of hydrogen from formic acid.

    PubMed

    Nguyen, Nga T; Mori, Yuki; Matsumoto, Takahiro; Yatabe, Takeshi; Kabe, Ryota; Nakai, Hidetaka; Yoon, Ki-Seok; Ogo, Seiji

    2014-11-11

    We report the decomposition of formic acid to hydrogen and carbon dioxide, catalysed by a NiRu complex originally developed as a [NiFe]hydrogenase model. This is the first example of H2 evolution, catalysed by a [NiFe]hydrogenase model, which does not require additional energy. PMID:25234420

  11. Magnetic and magnetocaloric properties of LuFe2- x Mn x O4 + δ multiferroics

    NASA Astrophysics Data System (ADS)

    Gamzatov, A. G.; Aliev, A. M.; Markelova, M. N.; Burunova, N. A.; Kaul', A. R.; Semisalova, A. S.; Perov, N. S.

    2016-06-01

    The magnetic and magnetocaloric properties of the LuFe2- x Mn x O4 + δ ( x = 0, 0.05, 0.12) system have been studied. A partial substitution of manganese for iron leads to a noticeable decrease in the magnetization and the magnetocaloric effect. It has been shown that the magnetocaloric effect in LuFe2- x Mn x O4 + δ samples is determined by several mechanisms.

  12. Ring head recording on perpendicular media: Output spectra for CoCr and CoCr/NiFe media

    NASA Astrophysics Data System (ADS)

    Stubbs, D. P.; Whisler, J. W.; Moe, C. D.; Skorjanec, J.

    1985-04-01

    The recording density response for sputtered CoCr (thickness=0.5 μm) and CoCr/NiFe (t=0.25 μm/0.5 μm) as well as evaporated CoNi (t=0.12 μm) and Co surface-doped iron oxide particulate media has been measured by reading and writing with Mn-Zn ferrite heads (gap length=0.375 μm, track width=37 μm) in contact with the media. Measurements to 200 kfc/i (thousand flux changes per inch) show a gap null around 115 kfc/i. The data have been normalized by dividing out the head sensitivity to obtain the value of spacing plus transition width (d+a) for the various media. For the CoCr media this value varied from 0.075-0.088 μm; for CoNi, 0.100 μm, and for the particulate medium, 0.163 μm. In addition, testing with a larger gapped Mn-Zn ferrite head (g=2.43 μm) shows that the head fields are distorted by the soft magnetic underlayer in dual layer CoCr/NiFe samples when the gap length is large compared to the distance to the underlayer.

  13. Atomic structural and electrochemical impact of Fe substitution on nano porous LiMnPO4

    NASA Astrophysics Data System (ADS)

    Seo, Inseok; Senthilkumar, B.; Kim, Kwang-Ho; Kim, Jae-Kwang; Kim, Youngsik; Ahn, Jou-Hyeon

    2016-07-01

    The atomic structural and electrochemical properties of Fe substituted nano porous LiMn1-xFexPO4 (x = 0-0.8) composites are investigated and compared. X-ray scattering method is used for atomic structural investigation. Rietveld refinement shows that all Fe substituted composites have the same olivine structure (Pnma) with lithium occupying octahedral 4a sites, Fe2+ replacing Mn2+ at the octahedral 4c sites. The a, b, c parameters and cell volume decrease with the addition of Fe2+. When the nano porous LiMn1-xFexPO4 composites are evaluated as cathode materials in lithium cells at room temperature, x = 0.6, and 0.8 resulted in the best overall electrochemical performance, exhibiting stable cycling and high discharge capacities of 149 and 154 mA h g-1, respectively. The composites with above x = 0.4 show a fast lithium ions transfer with high electronic conductivity because Fe transition metal substitution reduce the partly occupation of Mn in the M1 (LiO6) sites and thereby Mn block the lithium ion diffusion pathway. We here firstly find the antisite defect in the high Mn content in porous LiMn1-xFexPO4 composites.

  14. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

    SciTech Connect

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B.; Gee, Leland B.; Scott, Aubrey D.; Yoda, Yoshitaka; Lubitz, Wolfgang; Cramer, Stephen P.

    2015-08-10

    The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique ‘wagging’ mode involving H- motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe–CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate a low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H- binding Ni more tightly than Fe. Lastly, the present methodology is also relevant to characterizing Fe–H moieties in other important natural and synthetic catalysts.

  15. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

    DOE PAGESBeta

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B.; Gee, Leland B.; Scott, Aubrey D.; et al

    2015-08-10

    The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique ‘wagging’ mode involving H- motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe–CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate amore » low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H- binding Ni more tightly than Fe. Lastly, the present methodology is also relevant to characterizing Fe–H moieties in other important natural and synthetic catalysts.« less

  16. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

    PubMed Central

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B.; Gee, Leland B.; Scott, Aubrey D.; Yoda, Yoshitaka; Tanaka, Yoshihito; Lubitz, Wolfgang; Cramer, Stephen P.

    2015-01-01

    The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique ‘wagging' mode involving H− motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe–CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate a low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H− binding Ni more tightly than Fe. The present methodology is also relevant to characterizing Fe–H moieties in other important natural and synthetic catalysts. PMID:26259066

  17. [Changing the contents of Fe and Mn in the tonsils of children exposed to passive smoking and their local imission example Chorzow].

    PubMed

    Nogaj, Ewa; Kwapuliński, Jerzy; Bazowska, Maria; Krawczyk, Łukasz; Ahnert, Bozena; Rzepka, Jerzy; Nogaj, Piotr; Olender, Jacek; Paprotny, Łukasz

    2010-01-01

    The subject of the research were samples of overgrown adenoids removed by adenoidectomy 56 children, including 30 boys and 26 girls, exposure and unexposure from passive smoking, living in the administrative area of Chorzów. The statistic characteristic of Fe and Mn occurrence is presented in the thesis. The studies were carried out on the changes of Fe and Mn and other elements, (B, Al, La, Cd, Co, Cr, Cu, Ni, Pb, Zn, As, Se, Hg, V, Be, Mo, Sn, V, Ti, Sb, Bi, TI, Zr, Ca, Mg, Na, Ba, Sr, Li) respectively. The elemental composition of adenoids was determined with ICP-AES method (Inductively Coupled Plasma - Atomic Emission Spectroscopy). The studies on Fe and Mn occurrence in adenoids showed the presence of its higher concentrations in exposure boys (Fe - 116.13 microg/g; Mn - 0.70 microg/g), in comparison with exposure girls from passive smoking (93.06 microg/g; Mn - 0.57 microg/g). PMID:21360931

  18. Electrical transport properties of Mn-Ni-Zn ferrite using complex impedance spectroscopy

    NASA Astrophysics Data System (ADS)

    Azizar Rahman, M.; Hossain, A. K. M. Akther

    2014-02-01

    Polycrystalline Mn0.45Ni0.05Zn0.50Fe2O4 was prepared by a standard solid state reaction technique. We report the electrical properties of this ferrite using ac impedance spectroscopy as a function of frequency (20 Hz-10 MHz) at different temperatures (50-350 °C). X-ray diffraction patterns reveal the formation of cubic spinel structure. Complex impedance analysis has been used to separate the grain and grain boundary resistance of this ferrite. The variation of grain and grain boundary conductivities with temperature confirms semiconducting behavior. The dielectric permittivity shows dielectric dispersion at lower frequency and reveals that it has almost the same value on the high-frequency side. The non-coincidence of peaks corresponding to modulus and impedance indicates deviation from Debye-type relaxation. A similar value of activation energy is obtained from impedance and modulus spectra, indicating that charge carriers overcome the same energy barrier during relaxation. Electron hopping is responsible for ac conduction in this ferrite. The electron hopping shifts toward higher frequency with increasing temperature, below which the conductivity is frequency independent. The frequency-independent ac conductivity has been observed at and above 300 °C in the frequency range 20 Hz-1 MHz. This frequency-independent ac conductivity is due to the long-range movement of the mobile charge carriers.

  19. Compatibility of potential reinforcing ceramics with Ni and Fe aluminides

    NASA Technical Reports Server (NTRS)

    Moser, J. A.; Aindow, M.; Clark, W. A. T.; Draper, S.; Fraser, H. L.

    1990-01-01

    The compatibility of candidate ceramic reinforcement materials with intermetallic matrices for high temperature composite systems has been evaluated. Powders of FeAl and NiAl were mixed with ceramic powders and consolidated by hot isostatic pressing and subsequent heat treatment. The microstructures of these composites and the nature of the ceramic/matrix interfaces were assessed using a wide variety of electron-beam techniques. The system FeAl/TiB2 was found to be particularly promising. The matrix appears to be bonded to the ceramic particles, which may be the result of diffusion of Fe into the ceramic. The particles stabilized in a previously unreported monoclinic crystal structure, rather than the equilibrium hexagonal form exhibited by the binary compound.

  20. Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar pressures

    NASA Astrophysics Data System (ADS)

    Vekilova, O. Yu.; Simak, S. I.; Ponomareva, A. V.; Abrikosov, I. A.

    2012-12-01

    The lattice stability trends of the primary candidate for Earth's core material, the Fe-Ni alloy, were examined from first principles. We employed the exact muffin-tin orbital method (EMTO) combined with the coherent potential approximation (CPA) for the treatment of alloying effects. It was revealed that high pressure reverses the trend in the relative stabilities of the body-centered cubic (bcc), face-centered cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient conditions. In the low pressure region the increase of Ni concentration in the Fe-Ni alloy enhances the bcc phase destabilization relative to the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's core pressure), the effect of Ni addition is opposite. The reverse of the trend is associated with the suppression of the ferromagnetism of Fe when going from ambient pressures to pressure conditions corresponding to those of Earth's core. The first-principles results are explained in the framework of the canonical band model.